#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 0.09 12.58 -7.23 -1.26 -4.84 120.40 119.73 1pma s VAL 14 Ca 0.00 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.43 1pma s VAL 14 Cb 0.00 -2.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 1pma s VAL 14 CO 0.00 0.00 0.70 -0.36 -0.31 0.00 0.00 175.10 175.13 1pma s PHE 15 N -2.78 3.80 0.67 2.82 0.08 -1.26 -4.41 117.98 116.90 1pma s PHE 15 Ca 0.29 1.44 -0.11 0.00 0.12 0.00 0.00 56.93 58.66 1pma s PHE 15 Cb -0.01 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 1pma s PHE 15 CO 0.20 0.44 1.07 -1.54 -0.10 0.00 0.00 175.22 175.30 1pma s SER 16 N -0.70 5.74 0.00 1.36 1.04 0.10 -4.88 113.70 116.37 1pma s SER 16 Ca 0.34 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1pma s SER 16 Cb -0.21 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1pma s SER 16 CO 0.22 -1.16 0.95 -2.65 0.98 0.00 0.00 173.24 171.59 1pma n PRO 17 N -2.91 0.00 -0.14 4.02 -0.02 -1.26 -0.74 135.00 133.96 1pma n PRO 17 Ca 0.07 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1pma n PRO 17 Cb 0.56 -1.52 0.15 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.45 2.93 -0.60 2.55 5.75 -1.26 -4.98 116.55 119.47 1pma n ASP 18 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1pma n ASP 18 Cb 0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.01 0.79 3.03 6.12 0.00 0.08 -5.09 105.19 111.13 1pma n GLY 19 Ca 0.14 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.23 0.51 -0.73 1.61 0.52 -1.26 -4.87 118.95 110.51 1pma s ARG 20 Ca 0.00 -0.53 -0.17 0.00 -0.52 0.00 0.00 55.73 54.51 1pma s ARG 20 Cb 0.00 -0.38 0.15 0.00 0.52 0.00 0.00 34.95 35.24 1pma s ARG 20 CO 0.00 0.09 0.78 -0.51 0.02 0.00 0.00 175.30 175.67 1pma s LEU 21 N -0.98 5.89 0.26 2.53 2.01 -1.26 -0.72 118.68 126.41 1pma s LEU 21 Ca -0.05 -2.01 -0.02 0.00 0.01 0.00 0.00 54.13 52.06 1pma s LEU 21 Cb -0.07 -2.28 0.50 0.00 0.01 0.00 0.00 46.19 44.36 1pma s LEU 21 CO 0.00 -0.89 1.77 -0.26 1.01 0.00 0.00 176.35 177.98 1pma h PHE 22 N 8.62 0.75 -0.52 0.29 0.04 -1.98 -1.94 116.94 122.20 1pma h PHE 22 Ca -0.08 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.81 1pma h PHE 22 Cb 1.06 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.94 1pma h PHE 22 CO 0.95 0.20 0.15 1.96 -0.60 0.00 0.00 178.31 180.96 1pma h GLN 23 N 0.63 0.29 -0.44 1.51 1.08 -1.91 0.24 115.11 116.50 1pma h GLN 23 Ca 0.45 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.59 1pma h GLN 23 Cb 0.60 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1pma h GLN 23 CO -0.35 0.19 0.10 -0.24 -0.95 0.00 0.00 178.83 177.59 1pma h VAL 24 N 0.30 1.20 0.30 -0.54 3.04 -1.79 -0.06 116.25 118.71 1pma h VAL 24 Ca 0.26 -0.71 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 1pma h VAL 24 Cb 0.32 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1pma h VAL 24 CO -0.30 0.26 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.05 1pma h GLU 25 N 0.65 -0.39 -0.84 4.17 4.39 -0.39 -1.30 114.58 120.86 1pma h GLU 25 Ca 0.15 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.00 1pma h GLU 25 Cb 0.25 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.90 1pma h GLU 25 CO -0.00 -0.15 0.46 1.88 -1.16 0.00 0.00 179.01 180.03 1pma h TYR 26 N -0.57 0.82 -0.33 4.33 0.05 -0.16 0.10 116.97 121.21 1pma h TYR 26 Ca -0.04 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1pma h TYR 26 Cb 0.42 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.87 1pma h TYR 26 CO -0.01 0.27 0.05 0.00 -1.05 0.00 0.00 178.16 177.41 1pma h ALA 27 N 1.51 0.34 -1.00 3.88 0.00 -0.66 0.30 119.26 123.63 1pma h ALA 27 Ca 0.43 0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.62 1pma h ALA 27 Cb 0.52 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1pma h ALA 27 CO -0.31 -0.35 0.61 0.00 0.00 0.00 0.00 179.25 179.20 1pma h ARG 28 N 0.16 0.70 -0.33 0.00 3.08 0.19 0.11 114.38 118.30 1pma h ARG 28 Ca 0.16 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.24 1pma h ARG 28 Cb 0.18 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 1pma h ARG 28 CO -0.22 0.46 -0.15 0.93 -1.07 0.00 0.00 179.97 179.93 1pma h GLU 29 N 0.72 -0.09 -0.80 0.04 4.39 -0.49 0.12 114.58 118.48 1pma h GLU 29 Ca 0.59 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.47 1pma h GLU 29 Cb 0.97 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 1pma h GLU 29 CO -0.40 -0.06 0.53 0.00 -1.16 0.00 0.00 179.01 177.92 1pma h ALA 30 N 1.17 2.15 -0.00 3.43 0.00 -0.57 0.84 119.26 126.27 1pma h ALA 30 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 30 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pma h ALA 30 CO -0.39 -0.38 -0.65 -0.39 0.00 0.00 0.00 179.25 177.44 1pma h VAL 31 N 0.41 1.47 0.00 0.00 -1.51 -0.55 -3.00 116.25 113.07 1pma h VAL 31 Ca 0.40 -2.23 -0.05 0.00 -1.23 0.00 0.00 66.70 63.59 1pma h VAL 31 Cb 0.96 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 1pma h VAL 31 CO -0.13 0.64 -0.22 0.11 -1.23 0.00 0.00 177.57 176.73 1pma h LYS 32 N 0.01 0.00 -0.46 5.19 1.57 -0.27 -1.40 116.57 121.20 1pma h LYS 32 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pma h LYS 32 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1pma h LYS 32 CO 0.09 0.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.82 1pma n LYS 33 N -4.04 1.86 -3.28 3.15 5.02 -1.13 -3.61 118.16 116.13 1pma n LYS 33 Ca -0.02 -0.99 -0.18 0.00 -2.02 0.00 0.00 58.31 55.09 1pma n LYS 33 Cb 0.29 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.76 1.74 0.72 0.72 0.00 -0.53 -4.93 107.32 104.27 1pma s GLY 34 Ca 0.18 -1.54 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 1pma s GLY 34 CO 0.10 -1.42 1.13 -1.26 0.00 0.00 0.00 173.10 171.65 1pma n SER 35 N -1.73 1.11 -4.82 1.64 2.88 -1.26 -0.11 113.62 111.34 1pma n SER 35 Ca 0.03 0.70 -0.38 0.00 -1.33 0.00 0.00 58.87 57.89 1pma n SER 35 Cb 0.58 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 62.51 1pma n SER 35 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pma s THR 36 N -1.75 4.82 0.20 2.46 -1.32 -1.26 -3.53 115.64 115.25 1pma s THR 36 Ca 0.76 1.08 -0.18 0.00 -1.21 0.00 0.00 61.69 62.14 1pma s THR 36 Cb -0.34 -3.83 0.03 0.00 -1.51 0.00 0.00 72.50 66.84 1pma s THR 36 CO 0.47 0.51 0.54 0.00 -2.21 0.00 0.00 174.62 173.93 1pma s ALA 37 N -1.16 -0.96 0.30 11.08 0.00 -0.08 -1.35 121.76 129.58 1pma s ALA 37 Ca 0.29 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 1pma s ALA 37 Cb -0.18 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1pma s ALA 37 CO 0.18 -0.82 0.58 1.47 0.00 0.00 0.00 175.76 177.17 1pma n LEU 38 N -0.35 0.00 -3.53 0.00 -0.00 -0.06 -0.07 117.00 112.98 1pma n LEU 38 Ca -0.09 -1.97 -0.07 0.00 -0.00 0.00 0.00 56.01 53.87 1pma n LEU 38 Cb 0.62 2.83 -0.02 0.00 -0.00 0.00 0.00 43.42 46.85 1pma n LEU 38 CO 0.17 -0.64 0.72 -0.83 -0.00 0.00 0.00 177.39 176.81 1pma s GLY 39 N -2.57 -0.43 -0.16 1.47 0.00 0.56 -1.77 107.32 104.42 1pma s GLY 39 Ca 0.13 0.98 -0.28 0.00 0.00 0.00 0.00 44.72 45.54 1pma s GLY 39 CO 0.10 0.32 0.84 -3.16 0.00 0.00 0.00 173.10 171.19 1pma s MET 40 N -3.07 0.79 0.52 2.90 0.23 -0.83 -1.03 119.30 118.82 1pma s MET 40 Ca 0.06 0.44 -0.17 0.00 -1.03 0.00 0.00 55.69 54.98 1pma s MET 40 Cb -0.01 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1pma s MET 40 CO -0.08 -0.20 1.01 0.15 -2.03 0.00 0.00 175.02 173.88 1pma s LYS 41 N -0.60 3.78 0.00 3.16 1.02 -0.51 -2.11 119.74 124.48 1pma s LYS 41 Ca -0.04 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.06 1pma s LYS 41 Cb -0.02 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1pma s LYS 41 CO 0.03 -0.42 0.00 1.97 -0.92 0.00 0.00 175.35 176.01 1pma n PHE 42 N -1.51 0.00 0.00 3.18 1.16 -0.81 -4.84 117.46 114.64 1pma n PHE 42 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1pma n PHE 42 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.76 1.98 0.00 -0.69 -3.73 120.51 112.32 1pma n ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pma n ALA 43 Cb 0.00 0.04 0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.71 0.99 -0.26 0.00 4.05 -1.26 -4.99 115.26 113.08 1pma n ASN 44 Ca 0.00 -2.05 0.00 0.00 0.45 0.00 0.00 54.58 52.98 1pma n ASN 44 Cb 0.00 -0.27 0.00 0.00 1.23 0.00 0.00 39.78 40.74 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 -0.60 2.17 3.17 8.20 0.00 -1.24 -0.04 105.19 116.85 1pma n GLY 45 Ca 0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.73 0.04 0.14 1.61 0.11 -0.48 -1.93 120.40 117.17 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 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 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 -0.80 2.44 0.05 2.54 2.34 -0.90 -1.89 118.68 122.46 1pma s LEU 47 Ca -0.09 -0.87 0.09 0.00 0.06 0.00 0.00 54.13 53.32 1pma s LEU 47 Cb -0.05 -0.53 -0.03 0.00 -0.56 0.00 0.00 46.19 45.02 1pma s LEU 47 CO 0.02 -0.18 -0.24 -0.76 -1.06 0.00 0.00 176.35 174.13 1pma s LEU 48 N -2.67 2.19 -0.22 1.48 1.02 0.28 -1.96 118.68 118.78 1pma s LEU 48 Ca 0.12 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.60 1pma s LEU 48 Cb -0.03 -1.15 0.10 0.00 0.02 0.00 0.00 46.19 45.12 1pma s LEU 48 CO 0.03 0.21 0.49 -0.51 0.02 0.00 0.00 176.35 176.59 1pma s ILE 49 N -0.84 -0.63 0.08 -0.59 1.10 -0.73 -1.63 121.20 117.97 1pma s ILE 49 Ca 0.10 0.11 0.09 0.00 -0.51 0.00 0.00 60.65 60.44 1pma s ILE 49 Cb -0.10 -0.76 -0.03 0.00 0.15 0.00 0.00 42.46 41.72 1pma s ILE 49 CO 0.02 0.05 -0.23 -0.55 -2.11 0.00 0.00 174.94 172.12 1pma s SER 50 N 2.49 2.78 -0.50 4.50 0.15 0.32 -0.88 113.70 122.56 1pma s SER 50 Ca -0.04 -0.64 -0.26 0.00 0.70 0.00 0.00 55.95 55.70 1pma s SER 50 Cb -0.11 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1pma s SER 50 CO -0.15 0.14 1.01 -0.62 1.20 0.00 0.00 173.24 174.82 1pma s ASP 51 N -1.65 6.49 -0.86 5.45 -1.08 -0.46 -0.39 116.67 124.18 1pma s ASP 51 Ca 0.09 0.11 -0.21 0.00 -0.52 0.00 0.00 52.55 52.02 1pma s ASP 51 Cb -0.10 -2.48 0.10 0.00 -1.46 0.00 0.00 42.92 38.98 1pma s ASP 51 CO 0.04 -1.18 1.12 -0.75 0.52 0.00 0.00 175.17 174.92 1pma s LYS 52 N 4.10 3.44 -0.46 4.34 2.20 -1.12 -4.70 119.74 127.53 1pma s LYS 52 Ca 0.39 -1.36 -0.19 0.00 -0.36 0.00 0.00 55.97 54.45 1pma s LYS 52 Cb -0.09 -4.75 0.04 0.00 -1.51 0.00 0.00 37.83 31.51 1pma s LYS 52 CO 0.26 -1.85 0.56 0.15 -0.36 0.00 0.00 175.35 174.11 1pma s LYS 53 N 3.48 3.15 0.09 4.03 1.02 -1.26 -3.88 119.74 126.37 1pma s LYS 53 Ca 0.31 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.60 1pma s LYS 53 Cb -0.08 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1pma s LYS 53 CO -0.03 -1.04 0.16 0.54 -0.92 0.00 0.00 175.35 174.06 1pma s VAL 54 N 2.50 4.96 0.00 3.17 0.11 -1.26 -5.10 120.40 124.78 1pma s VAL 54 Ca 0.16 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1pma s VAL 54 Cb -0.17 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1pma s VAL 54 CO 0.14 0.08 0.00 -1.14 -3.33 0.00 0.00 175.10 170.85 1pma n ARG 55 N 0.17 0.00 -0.71 1.54 3.00 -1.26 -5.08 116.66 114.33 1pma n ARG 55 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.48 1pma n ARG 55 Cb 0.52 0.00 0.18 0.00 0.00 0.00 0.00 32.46 33.16 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 -0.58 2.57 0.23 6.15 0.15 -1.26 -4.92 113.70 116.04 1pma s SER 56 Ca 0.00 2.00 0.11 0.00 0.70 0.00 0.00 55.95 58.76 1pma s SER 56 Cb 0.00 -2.50 0.12 0.00 -1.71 0.00 0.00 66.02 61.93 1pma s SER 56 CO 0.00 -3.29 1.46 0.03 1.20 0.00 0.00 173.24 172.64 1pma h ARG 57 N -2.00 0.00 0.00 5.44 3.08 -2.07 -3.22 114.38 115.60 1pma h ARG 57 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1pma h ARG 57 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1pma h ARG 57 CO 0.44 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 181.34 1pma n LEU 58 N -3.47 0.00 -4.77 3.04 4.32 -1.26 -4.73 117.00 110.13 1pma n LEU 58 Ca 0.00 0.25 -0.39 0.00 -0.02 0.00 0.00 56.01 55.86 1pma n LEU 58 Cb 0.75 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 1pma n LEU 58 CO 0.43 -0.16 0.60 -0.63 -1.22 0.00 0.00 177.39 176.41 1pma s ILE 59 N -2.51 4.19 -0.83 -0.08 -1.09 -1.22 -4.94 121.20 114.73 1pma s ILE 59 Ca 0.12 1.90 -0.08 0.00 -2.23 0.00 0.00 60.65 60.36 1pma s ILE 59 Cb 0.08 -4.19 -0.17 0.00 -1.58 0.00 0.00 42.46 36.59 1pma s ILE 59 CO 0.17 0.41 3.28 -0.62 -1.23 0.00 0.00 174.94 176.96 1pma n GLU 60 N 1.27 2.88 0.00 2.79 -0.58 -1.26 -4.95 120.64 120.78 1pma n GLU 60 Ca -0.02 -1.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1pma n GLU 60 Cb 0.48 -2.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 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 3.02 0.00 -0.36 3.49 -0.00 -1.26 -1.82 117.38 120.45 1pma n GLN 61 Ca 0.61 0.00 0.31 0.00 -0.00 0.00 0.00 57.00 57.92 1pma n GLN 61 Cb 0.57 0.00 0.53 0.00 -0.00 0.00 0.00 30.24 31.34 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 1.00 0.19 0.17 2.61 2.85 -1.26 -1.33 115.26 119.48 1pma n ASN 62 Ca 0.00 1.15 0.17 0.00 -0.11 0.00 0.00 54.58 55.79 1pma n ASN 62 Cb 0.00 -0.56 0.64 0.00 1.24 0.00 0.00 39.78 41.10 1pma n ASN 62 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1pma h SER 63 N 0.00 0.00 -1.45 1.20 0.02 -1.78 -2.05 113.55 109.49 1pma h SER 63 Ca 0.70 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.91 1pma h SER 63 Cb 2.21 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 64.58 1pma h SER 63 CO -0.41 0.00 1.89 0.00 -1.14 0.00 0.00 176.83 177.17 1pma n ILE 64 N -3.21 5.31 -2.21 3.27 3.06 -0.44 -4.97 119.36 120.16 1pma n ILE 64 Ca 0.05 -4.67 -0.42 0.00 -2.50 0.00 0.00 62.75 55.21 1pma n ILE 64 Cb 0.71 -1.88 -0.03 0.00 0.54 0.00 0.00 39.64 38.98 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 -2.10 4.28 -0.14 9.51 0.41 -0.77 -4.90 118.70 124.99 1pma s GLU 65 Ca 0.50 1.98 0.07 0.00 -0.41 0.00 0.00 54.97 57.11 1pma s GLU 65 Cb 0.21 -3.57 -0.23 0.00 -1.78 0.00 0.00 34.13 28.75 1pma s GLU 65 CO -0.12 -0.58 0.28 1.63 -0.49 0.00 0.00 175.26 175.98 1pma n LYS 66 N 5.36 0.68 -3.09 1.61 5.02 -1.26 -4.78 118.16 121.70 1pma n LYS 66 Ca 0.13 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 1pma n LYS 66 Cb 0.44 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1pma n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pma s ILE 67 N -2.55 4.91 0.12 -0.18 1.01 -1.26 -4.07 121.20 119.18 1pma s ILE 67 Ca -0.16 0.89 0.10 0.00 0.00 0.00 0.00 60.65 61.48 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 0.77 -0.17 -0.25 -1.10 0.00 0.00 0.00 174.94 174.19 1pma s GLN 68 N 2.67 1.53 -0.02 2.79 -0.21 -0.77 -4.99 119.66 120.67 1pma s GLN 68 Ca 0.26 -1.28 -0.16 0.00 0.02 0.00 0.00 55.36 54.20 1pma s GLN 68 Cb -0.15 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.85 1pma s GLN 68 CO 0.12 0.46 0.44 -0.51 -2.12 0.00 0.00 175.29 173.69 1pma s LEU 69 N -2.00 4.43 -0.18 2.90 1.43 -1.26 -1.30 118.68 122.70 1pma s LEU 69 Ca 0.15 0.96 0.17 0.00 -1.03 0.00 0.00 54.13 54.38 1pma s LEU 69 Cb -0.10 -2.64 -0.25 0.00 0.03 0.00 0.00 46.19 43.23 1pma s LEU 69 CO 0.07 0.24 0.13 -0.38 0.23 0.00 0.00 176.35 176.64 1pma n ILE 70 N 2.26 1.41 -3.61 -0.59 5.41 0.28 -4.96 119.36 119.57 1pma n ILE 70 Ca -0.12 -0.85 -0.05 0.00 1.00 0.00 0.00 62.75 62.73 1pma n ILE 70 Cb 0.52 -0.53 -0.04 0.00 -0.71 0.00 0.00 39.64 38.88 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 -5.56 -0.17 0.18 4.38 2.15 -0.86 -4.80 116.67 112.00 1pma s ASP 71 Ca -0.10 0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.05 1pma s ASP 71 Cb 0.06 0.15 0.12 0.00 -0.30 0.00 0.00 42.92 42.95 1pma s ASP 71 CO 0.83 -0.18 0.77 0.47 -0.17 0.00 0.00 175.17 176.89 1pma n ASP 72 N 0.44 0.06 -0.01 -0.34 8.00 -1.26 -0.25 116.55 123.19 1pma n ASP 72 Ca -0.03 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1pma n ASP 72 Cb 0.58 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1pma n ASP 72 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1pma n TYR 73 N -1.51 0.00 -3.68 1.24 4.02 -1.26 -1.78 117.16 114.19 1pma n TYR 73 Ca -0.00 -0.40 -0.09 0.00 -0.01 0.00 0.00 57.90 57.40 1pma n TYR 73 Cb 0.53 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.82 -0.28 0.28 -0.72 0.11 0.65 -2.78 120.40 116.85 1pma s VAL 74 Ca 0.01 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1pma s VAL 74 Cb 0.01 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.14 1pma s VAL 74 CO 0.00 0.05 -0.02 0.00 -3.33 0.00 0.00 175.10 171.80 1pma s ALA 75 N 1.91 2.24 0.00 1.54 0.00 -0.58 -0.56 121.76 126.31 1pma s ALA 75 Ca -0.06 -1.91 -0.19 0.00 0.00 0.00 0.00 51.96 49.79 1pma s ALA 75 Cb -0.10 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1pma s ALA 75 CO -0.13 -0.17 0.42 0.00 0.00 0.00 0.00 175.76 175.87 1pma s ALA 76 N -3.17 -1.05 0.09 0.00 0.00 -0.42 -1.20 121.76 116.01 1pma s ALA 76 Ca 0.31 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.84 1pma s ALA 76 Cb 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1pma s ALA 76 CO 0.12 -0.36 -0.18 0.54 0.00 0.00 0.00 175.76 175.88 1pma s VAL 77 N -1.76 1.49 0.18 0.00 0.11 -0.35 -1.84 120.40 118.23 1pma s VAL 77 Ca -0.10 -1.46 0.05 0.00 -2.93 0.00 0.00 61.98 57.53 1pma s VAL 77 Cb -0.02 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1pma s VAL 77 CO 0.03 -0.13 -0.08 0.28 -3.33 0.00 0.00 175.10 171.87 1pma s THR 78 N -1.22 1.20 -0.13 5.04 -1.32 -1.26 -0.93 115.64 117.02 1pma s THR 78 Ca 0.03 -2.07 -0.10 0.00 -1.21 0.00 0.00 61.69 58.34 1pma s THR 78 Cb -0.10 -2.02 0.04 0.00 -1.51 0.00 0.00 72.50 68.91 1pma s THR 78 CO 0.04 -0.60 0.33 -0.55 -2.21 0.00 0.00 174.62 171.62 1pma s SER 79 N -3.23 -0.36 0.00 8.08 0.15 -0.31 -4.89 113.70 113.15 1pma s SER 79 Ca 0.21 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1pma s SER 79 Cb 0.03 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1pma s SER 79 CO 0.04 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1pma n GLY 80 N 3.36 0.62 3.62 9.45 0.00 -1.26 -1.22 105.19 119.76 1pma n GLY 80 Ca -0.17 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1pma n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pma s LEU 81 N 0.00 3.84 0.16 0.99 2.01 0.35 -4.87 118.68 121.16 1pma s LEU 81 Ca 0.00 2.12 -0.19 0.00 0.01 0.00 0.00 54.13 56.07 1pma s LEU 81 Cb 0.00 -3.52 0.08 0.00 0.01 0.00 0.00 46.19 42.76 1pma s LEU 81 CO 0.00 -1.57 1.64 1.62 1.01 0.00 0.00 176.35 179.06 1pma h VAL 82 N 6.51 0.46 -0.39 -1.59 3.04 -1.95 -0.38 116.25 121.95 1pma h VAL 82 Ca -0.43 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1pma h VAL 82 Cb 1.23 0.46 -0.05 0.00 -2.01 0.00 0.00 31.29 30.93 1pma h VAL 82 CO 0.96 0.00 0.12 0.00 -1.01 0.00 0.00 177.57 177.64 1pma h ALA 83 N 1.14 0.45 -0.78 3.17 0.00 -1.99 -1.35 119.26 119.92 1pma h ALA 83 Ca 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pma h ALA 83 Cb 0.40 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1pma h ALA 83 CO -0.44 -0.27 0.48 -0.44 0.00 0.00 0.00 179.25 178.58 1pma h ASP 84 N 0.27 0.92 -0.00 0.00 5.19 -1.81 -2.57 116.42 118.42 1pma h ASP 84 Ca 0.18 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1pma h ASP 84 Cb 0.18 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1pma h ASP 84 CO -0.20 0.70 -0.02 0.00 -3.12 0.00 0.00 179.24 176.60 1pma h ALA 85 N 1.26 -0.02 0.33 3.45 0.00 -0.43 -2.18 119.26 121.68 1pma h ALA 85 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pma h ALA 85 Cb -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pma h ALA 85 CO -0.06 -0.52 -0.49 -0.09 0.00 0.00 0.00 179.25 178.10 1pma h ARG 86 N -0.03 -0.83 -0.80 0.00 2.43 -1.01 0.22 114.38 114.35 1pma h ARG 86 Ca 0.01 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 1pma h ARG 86 Cb 0.05 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 1pma h ARG 86 CO -0.02 -0.56 0.37 -0.24 -1.51 0.00 0.00 179.97 178.01 1pma h VAL 87 N -0.87 0.69 -0.81 0.20 3.04 -1.52 0.46 116.25 117.45 1pma h VAL 87 Ca -0.04 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 87 Cb 0.79 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.15 1pma h VAL 87 CO -0.15 0.10 0.39 0.25 -1.01 0.00 0.00 177.57 177.15 1pma h LEU 88 N 0.53 1.05 0.25 3.16 5.85 -0.69 -1.05 115.31 124.41 1pma h LEU 88 Ca 0.44 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 88 Cb 0.64 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1pma h LEU 88 CO -0.38 0.89 -0.12 0.58 -0.34 0.00 0.00 178.44 179.07 1pma h VAL 89 N 1.14 0.77 -1.00 1.05 2.07 0.14 -1.57 116.25 118.85 1pma h VAL 89 Ca 0.28 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1pma h VAL 89 Cb 0.11 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1pma h VAL 89 CO -0.04 0.01 0.63 0.44 0.02 0.00 0.00 177.57 178.64 1pma h ASP 90 N -0.36 0.96 -0.10 0.57 3.32 -0.79 -0.27 116.42 119.76 1pma h ASP 90 Ca -0.03 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1pma h ASP 90 Cb 0.27 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1pma h ASP 90 CO 0.06 0.56 -0.16 0.15 -1.72 0.00 0.00 179.24 178.13 1pma h PHE 91 N 1.06 -0.40 -0.90 4.55 3.57 -0.75 0.47 116.94 124.53 1pma h PHE 91 Ca 0.47 0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.12 1pma h PHE 91 Cb 0.35 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 1pma h PHE 91 CO -0.01 -0.23 0.58 0.00 -2.23 0.00 0.00 178.31 176.43 1pma h ALA 92 N 0.82 1.76 0.83 2.41 0.00 -0.14 -0.42 119.26 124.51 1pma h ALA 92 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 92 Cb 0.33 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pma h ALA 92 CO -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.63 1pma h ARG 93 N 0.76 -1.07 -0.93 0.00 3.08 0.65 -0.48 114.38 116.39 1pma h ARG 93 Ca 0.45 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.57 1pma h ARG 93 Cb 0.64 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 1pma h ARG 93 CO -0.21 -0.71 0.56 -0.84 -1.07 0.00 0.00 179.97 177.71 1pma h ILE 94 N -1.27 1.25 -0.63 2.04 3.07 -1.05 -0.88 117.51 120.04 1pma h ILE 94 Ca -0.11 -0.55 0.04 0.00 1.55 0.00 0.00 64.86 65.79 1pma h ILE 94 Cb 0.86 -0.06 -0.04 0.00 -0.27 0.00 0.00 36.82 37.31 1pma h ILE 94 CO 0.19 0.27 0.42 -1.28 -1.05 0.00 0.00 178.15 176.69 1pma h SER 95 N 1.28 0.61 -0.09 2.16 0.87 -1.01 0.06 113.55 117.43 1pma h SER 95 Ca 0.33 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1pma h SER 95 Cb -0.06 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1pma h SER 95 CO -0.06 0.41 0.03 0.00 -0.53 0.00 0.00 176.83 176.68 1pma h ALA 96 N 1.64 0.12 -0.78 6.23 0.00 0.31 -2.73 119.26 124.05 1pma h ALA 96 Ca 0.26 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1pma h ALA 96 Cb 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1pma h ALA 96 CO -0.07 -0.27 0.43 1.96 0.00 0.00 0.00 179.25 181.30 1pma h GLN 97 N -0.04 0.72 -0.10 0.00 1.08 -0.46 -2.37 115.11 113.95 1pma h GLN 97 Ca 0.03 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1pma h GLN 97 Cb 0.21 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 1pma h GLN 97 CO -0.00 0.48 -0.50 1.96 -0.95 0.00 0.00 178.83 179.81 1pma h GLN 98 N 0.74 -0.56 -0.83 1.46 4.20 -0.75 0.20 115.11 119.58 1pma h GLN 98 Ca 0.37 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.21 1pma h GLN 98 Cb 0.32 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 1pma h GLN 98 CO -0.24 -0.38 0.48 1.49 -0.67 0.00 0.00 178.83 179.52 1pma h GLU 99 N -0.58 0.78 -0.67 1.46 4.81 -1.29 -1.17 114.58 117.92 1pma h GLU 99 Ca 0.04 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1pma h GLU 99 Cb 0.68 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1pma h GLU 99 CO -0.40 0.52 0.42 0.87 -0.73 0.00 0.00 179.01 179.69 1pma h LYS 100 N 0.81 0.81 0.00 1.92 1.57 -0.63 0.03 116.57 121.08 1pma h LYS 100 Ca 0.39 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 1pma h LYS 100 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pma h LYS 100 CO -0.24 0.54 -0.43 -0.24 -0.57 0.00 0.00 179.45 178.51 1pma h VAL 101 N 0.84 0.95 0.02 0.50 3.04 0.52 0.36 116.25 122.47 1pma h VAL 101 Ca 0.26 -1.70 -0.29 0.00 -1.01 0.00 0.00 66.70 63.97 1pma h VAL 101 Cb -0.01 2.02 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 1pma h VAL 101 CO -0.09 0.42 -1.57 1.07 -1.01 0.00 0.00 177.57 176.38 1pma n THR 102 N -3.52 1.57 0.12 3.17 5.66 -0.80 -4.44 114.28 116.04 1pma n THR 102 Ca -0.00 -0.17 0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1pma n THR 102 Cb 0.55 -1.97 0.02 0.00 -1.55 0.00 0.00 70.33 67.39 1pma n THR 102 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 1pma h TYR 103 N -0.84 0.00 0.00 1.09 0.05 -1.12 -3.48 116.97 112.67 1pma h TYR 103 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1pma h TYR 103 Cb 1.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.20 1pma h TYR 103 CO 0.07 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 1pma n GLY 104 N 1.18 0.80 3.65 3.88 0.00 0.13 -4.99 105.19 109.83 1pma n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.71 -0.23 -1.07 1.61 0.15 -1.21 -4.95 113.70 105.29 1pma s SER 105 Ca 0.00 0.37 -0.22 0.00 0.70 0.00 0.00 55.95 56.80 1pma s SER 105 Cb 0.00 1.05 0.06 0.00 -1.71 0.00 0.00 66.02 65.42 1pma s SER 105 CO 0.00 -0.06 1.49 -0.22 1.20 0.00 0.00 173.24 175.66 1pma s LEU 106 N 1.10 3.64 0.03 3.45 2.96 -1.26 -4.69 118.68 123.90 1pma s LEU 106 Ca -0.08 -1.68 -0.22 0.00 -0.22 0.00 0.00 54.13 51.93 1pma s LEU 106 Cb -0.03 -2.56 -0.15 0.00 0.50 0.00 0.00 46.19 43.94 1pma s LEU 106 CO -0.12 -1.42 1.38 1.62 -1.32 0.00 0.00 176.35 176.50 1pma h VAL 107 N 6.51 1.32 -3.48 1.68 3.04 -1.97 -3.43 116.25 119.91 1pma h VAL 107 Ca 0.25 -1.05 -0.62 0.00 -1.01 0.00 0.00 66.70 64.27 1pma h VAL 107 Cb 0.98 1.80 -0.37 0.00 -2.01 0.00 0.00 31.29 31.70 1pma h VAL 107 CO 1.42 0.30 -0.81 0.21 -1.01 0.00 0.00 177.57 177.68 1pma s ASN 108 N -5.84 3.51 0.50 3.17 3.84 -1.26 -1.81 114.94 117.04 1pma s ASN 108 Ca -0.15 -0.95 0.16 0.00 0.21 0.00 0.00 52.86 52.13 1pma s ASN 108 Cb 0.04 -1.24 1.21 0.00 -0.55 0.00 0.00 41.25 40.71 1pma s ASN 108 CO 0.71 -0.16 2.10 -0.29 -2.79 0.00 0.00 177.10 176.68 1pma h ILE 109 N 6.45 1.01 -0.87 -5.21 2.10 -1.96 -2.24 117.51 116.79 1pma h ILE 109 Ca -0.26 -0.22 0.17 0.00 1.08 0.00 0.00 64.86 65.63 1pma h ILE 109 Cb 1.09 1.12 -0.07 0.00 -1.09 0.00 0.00 36.82 37.87 1pma h ILE 109 CO 0.47 0.06 0.57 -0.08 -1.08 0.00 0.00 178.15 178.09 1pma h GLU 110 N 0.00 0.53 -0.58 2.19 4.81 -2.00 -0.67 114.58 118.86 1pma h GLU 110 Ca -0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1pma h GLU 110 Cb 0.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1pma h GLU 110 CO 0.01 0.35 -0.03 -0.97 -0.73 0.00 0.00 179.01 177.64 1pma h ASN 111 N 0.54 1.02 -0.15 1.04 -0.73 -1.83 -1.61 115.58 113.87 1pma h ASN 111 Ca 0.44 -0.32 0.03 0.00 1.87 0.00 0.00 56.30 58.33 1pma h ASN 111 Cb 0.90 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.18 1pma h ASN 111 CO -0.19 1.09 -0.05 0.25 -0.37 0.00 0.00 177.43 178.17 1pma h LEU 112 N 0.93 -0.17 -0.99 0.34 5.85 -1.25 0.42 115.31 120.44 1pma h LEU 112 Ca 0.16 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1pma h LEU 112 Cb 0.58 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1pma h LEU 112 CO 0.03 -0.06 0.11 1.62 -0.34 0.00 0.00 178.44 179.80 1pma h VAL 113 N -0.02 1.23 -0.35 1.05 3.04 -1.43 -2.27 116.25 117.50 1pma h VAL 113 Ca 0.07 -0.86 0.03 0.00 -1.01 0.00 0.00 66.70 64.93 1pma h VAL 113 Cb 0.13 0.70 -0.03 0.00 -2.01 0.00 0.00 31.29 30.08 1pma h VAL 113 CO -0.16 0.32 0.15 0.11 -1.01 0.00 0.00 177.57 176.98 1pma h LYS 114 N 0.81 0.31 -0.56 4.17 1.57 -0.44 0.84 116.57 123.27 1pma h LYS 114 Ca 0.17 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1pma h LYS 114 Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1pma h LYS 114 CO 0.00 0.21 0.37 -0.09 -0.57 0.00 0.00 179.45 179.37 1pma h ARG 115 N 0.32 0.73 -0.19 3.15 2.43 -0.40 -0.59 114.38 119.83 1pma h ARG 115 Ca 0.15 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1pma h ARG 115 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1pma h ARG 115 CO -0.13 0.48 -0.29 -0.24 -1.51 0.00 0.00 179.97 178.29 1pma h VAL 116 N 0.75 1.27 -0.25 0.20 3.04 -1.10 -2.16 116.25 118.01 1pma h VAL 116 Ca 0.21 -1.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.60 1pma h VAL 116 Cb -0.07 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 1pma h VAL 116 CO -0.05 0.40 0.11 0.00 -1.01 0.00 0.00 177.57 177.01 1pma h ALA 117 N 1.37 0.32 -0.38 3.17 0.00 -0.05 -1.86 119.26 121.83 1pma h ALA 117 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1pma h ALA 117 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pma h ALA 117 CO 0.05 -0.11 0.02 -0.44 0.00 0.00 0.00 179.25 178.77 1pma h ASP 118 N 0.25 0.56 -0.13 0.00 3.32 -0.95 0.15 116.42 119.63 1pma h ASP 118 Ca 0.08 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1pma h ASP 118 Cb 0.15 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1pma h ASP 118 CO -0.01 0.62 -0.25 -0.61 -1.72 0.00 0.00 179.24 177.27 1pma h GLN 119 N 0.57 -0.31 -0.67 3.56 -0.00 -0.87 -0.93 115.11 116.46 1pma h GLN 119 Ca 0.12 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1pma h GLN 119 Cb 0.34 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 1pma h GLN 119 CO 0.01 -0.21 0.36 0.52 0.00 0.00 0.00 178.83 179.52 1pma h MET 120 N -0.32 0.93 -0.12 1.69 2.86 -0.54 -2.75 114.93 116.68 1pma h MET 120 Ca 0.10 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pma h MET 120 Cb 0.47 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1pma h MET 120 CO -0.31 0.70 0.07 0.37 1.06 0.00 0.00 176.91 178.80 1pma h GLN 121 N 0.91 0.16 -0.65 1.72 -0.00 -0.06 -2.44 115.11 114.75 1pma h GLN 121 Ca 0.23 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.88 1pma h GLN 121 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.46 1pma h GLN 121 CO -0.04 0.11 0.43 1.96 0.00 0.00 0.00 178.83 181.29 1pma h GLN 122 N 0.16 0.86 0.00 1.69 4.20 -0.87 -1.86 115.11 119.28 1pma h GLN 122 Ca 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1pma h GLN 122 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1pma h GLN 122 CO -0.01 0.57 0.00 0.66 -0.67 0.00 0.00 178.83 179.38 1pma n TYR 123 N -4.63 0.00 0.13 2.96 4.02 -0.92 -1.84 117.16 116.87 1pma n TYR 123 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.99 1pma n TYR 123 Cb 0.02 -0.08 0.03 0.00 -0.02 0.00 0.00 39.34 39.29 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 0.50 0.00 -0.72 2.02 -1.36 -3.37 112.91 109.98 1pma h THR 124 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1pma h THR 124 Cb 0.04 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1pma h THR 124 CO 0.00 0.28 -0.62 0.00 0.37 0.00 0.00 175.52 175.56 1pma n GLN 125 N -3.05 2.36 -0.71 6.66 10.64 -0.78 -4.85 117.38 127.66 1pma n GLN 125 Ca -0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1pma n GLN 125 Cb 0.69 -0.81 -0.07 0.00 -0.86 0.00 0.00 30.24 29.20 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 -1.10 0.66 0.00 2.61 4.01 -0.77 -4.92 117.16 117.65 1pma n TYR 126 Ca 0.00 -1.45 0.00 0.00 -0.16 0.00 0.00 57.90 56.29 1pma n TYR 126 Cb 0.11 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.71 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 3.15 2.85 3.34 2.72 0.00 -1.26 -4.45 105.19 111.54 1pma n GLY 127 Ca 0.37 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 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 0.43 3.58 -0.02 0.00 -1.26 -4.55 105.19 103.37 1pma n GLY 128 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 5.84 -0.07 0.16 1.61 0.11 -1.26 -5.15 120.40 121.64 1pma s VAL 129 Ca 0.48 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.23 1pma s VAL 129 Cb 0.10 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.88 1pma s VAL 129 CO 0.24 0.00 1.20 -0.60 -3.33 0.00 0.00 175.10 172.62 1pma s ARG 130 N 1.43 4.48 0.85 1.54 3.52 -1.26 -4.89 118.95 124.61 1pma s ARG 130 Ca -0.07 1.86 -0.12 0.00 -0.13 0.00 0.00 55.73 57.27 1pma s ARG 130 Cb -0.03 -3.26 0.11 0.00 -1.56 0.00 0.00 34.95 30.20 1pma s ARG 130 CO -0.14 -0.13 1.18 -2.14 -0.81 0.00 0.00 175.30 173.26 1pma s PRO 131 N 0.09 1.38 -0.45 5.12 0.02 -1.26 -4.93 135.00 134.97 1pma s PRO 131 Ca 0.54 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 1pma s PRO 131 Cb -0.32 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1pma s PRO 131 CO 0.35 -2.38 1.29 0.71 -0.33 0.00 0.00 177.00 176.64 1pma s TYR 132 N -2.38 2.57 -1.47 6.54 1.51 -1.26 -4.92 117.35 117.94 1pma s TYR 132 Ca 0.70 0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 57.32 1pma s TYR 132 Cb -0.26 -4.38 0.03 0.00 -0.11 0.00 0.00 41.96 37.24 1pma s TYR 132 CO 0.54 -1.67 2.36 0.41 -1.11 0.00 0.00 175.55 176.07 1pma n GLY 133 N 4.99 4.46 3.56 0.71 0.00 -1.26 -4.49 105.19 113.17 1pma n GLY 133 Ca 0.14 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 1pma n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 134 N 2.40 0.00 0.17 1.61 0.11 -1.26 -0.50 120.40 122.93 1pma s VAL 134 Ca 0.52 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.65 1pma s VAL 134 Cb 0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1pma s VAL 134 CO -0.07 0.00 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.08 1pma s SER 135 N -0.62 2.66 0.18 3.54 0.01 -0.36 -3.44 113.70 115.67 1pma s SER 135 Ca -0.07 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 1pma s SER 135 Cb -0.02 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1pma s SER 135 CO 0.07 -0.05 0.52 -1.48 0.41 0.00 0.00 173.24 172.71 1pma s LEU 136 N -2.71 -0.01 -0.01 2.44 0.05 0.05 -1.16 118.68 117.34 1pma s LEU 136 Ca 0.16 -0.36 0.05 0.00 0.05 0.00 0.00 54.13 54.03 1pma s LEU 136 Cb -0.05 2.20 -0.01 0.00 -2.05 0.00 0.00 46.19 46.28 1pma s LEU 136 CO 0.07 -1.01 -0.16 0.27 -0.55 0.00 0.00 176.35 174.96 1pma s ILE 137 N -3.84 1.25 -0.07 1.48 -4.36 -0.11 -0.23 121.20 115.32 1pma s ILE 137 Ca 0.06 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 1pma s ILE 137 Cb -0.01 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.63 1pma s ILE 137 CO -0.06 0.35 -0.06 -0.36 0.24 0.00 0.00 174.94 175.05 1pma s PHE 138 N -0.37 2.96 -0.05 1.37 0.08 0.61 -1.21 117.98 121.37 1pma s PHE 138 Ca 0.06 0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.00 1pma s PHE 138 Cb -0.06 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1pma s PHE 138 CO -0.01 0.33 0.31 0.00 -0.10 0.00 0.00 175.22 175.75 1pma s ALA 139 N -0.77 -0.77 0.00 5.36 0.00 -0.35 -0.58 121.76 124.66 1pma s ALA 139 Ca 0.12 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1pma s ALA 139 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1pma s ALA 139 CO 0.02 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1pma n GLY 140 N 1.83 -0.65 3.41 0.00 0.00 -0.39 -1.53 105.19 107.87 1pma n GLY 140 Ca -0.19 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 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 3.32 0.00 -0.61 -1.16 -1.12 0.16 121.20 119.79 1pma s ILE 141 Ca 0.00 -0.57 0.00 0.00 -0.51 0.00 0.00 60.65 59.57 1pma s ILE 141 Cb 0.00 -2.41 0.00 0.00 0.61 0.00 0.00 42.46 40.66 1pma s ILE 141 CO 0.00 0.52 0.00 -0.90 -2.81 0.00 0.00 174.94 171.75 1pma n ASP 142 N 3.49 1.88 -0.04 4.50 3.85 0.11 -4.85 116.55 125.50 1pma n ASP 142 Ca -0.18 -0.76 0.17 0.00 -0.71 0.00 0.00 54.79 53.31 1pma n ASP 142 Cb 0.53 0.00 0.61 0.00 -1.35 0.00 0.00 41.12 40.90 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 0.17 0.07 0.11 5.75 -1.63 -0.08 115.11 119.50 1pma h GLN 143 Ca 0.00 -0.01 -0.25 0.00 -0.15 0.00 0.00 58.65 58.24 1pma h GLN 143 Cb 0.00 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.52 1pma h GLN 143 CO 0.00 0.11 -1.11 0.82 -2.65 0.00 0.00 178.83 176.01 1pma h ILE 144 N 0.18 1.44 0.00 2.39 2.04 -1.96 -3.51 117.51 118.09 1pma h ILE 144 Ca 0.27 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1pma h ILE 144 Cb 0.83 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1pma h ILE 144 CO -0.04 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.53 1pma n GLY 145 N 1.25 0.80 3.74 5.37 0.00 -0.05 -5.08 105.19 111.23 1pma n GLY 145 Ca -0.08 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 4.29 0.02 1.61 0.02 -1.26 0.08 135.00 137.76 1pma s PRO 146 Ca 0.00 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.29 1pma s PRO 146 Cb 0.00 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 1pma s PRO 146 CO 0.00 -0.39 -0.09 1.03 -0.33 0.00 0.00 177.00 177.22 1pma s ARG 147 N -0.17 0.65 -0.06 5.54 0.52 0.43 -4.90 118.95 120.95 1pma s ARG 147 Ca 0.59 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1pma s ARG 147 Cb -0.41 -0.58 0.03 0.00 0.52 0.00 0.00 34.95 34.51 1pma s ARG 147 CO 0.41 0.14 0.04 -1.17 0.02 0.00 0.00 175.30 174.74 1pma s LEU 148 N -0.83 0.37 0.05 2.53 2.96 -1.26 -1.26 118.68 121.24 1pma s LEU 148 Ca -0.01 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1pma s LEU 148 Cb -0.06 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 1pma s LEU 148 CO 0.00 -0.23 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.33 1pma s PHE 149 N 2.07 0.92 0.29 5.38 0.40 0.26 -1.13 117.98 126.17 1pma s PHE 149 Ca 0.05 -0.43 0.11 0.00 -0.60 0.00 0.00 56.93 56.06 1pma s PHE 149 Cb -0.12 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.81 1pma s PHE 149 CO -0.04 -0.01 -0.17 0.16 0.70 0.00 0.00 175.22 175.85 1pma s ASP 150 N -1.44 3.60 -0.19 1.36 -4.77 -0.76 -0.28 116.67 114.19 1pma s ASP 150 Ca -0.05 -1.07 -0.10 0.00 -3.30 0.00 0.00 52.55 48.03 1pma s ASP 150 Cb -0.09 -0.31 0.06 0.00 -1.09 0.00 0.00 42.92 41.50 1pma s ASP 150 CO 0.01 -0.02 0.46 0.00 0.70 0.00 0.00 175.17 176.32 1pma s ASP 152 N 1.53 5.09 0.53 0.00 -4.77 -0.98 -0.77 116.67 117.31 1pma s ASP 152 Ca -0.09 -0.85 0.23 0.00 -3.30 0.00 0.00 52.55 48.54 1pma s ASP 152 Cb -0.08 0.15 1.47 0.00 -1.09 0.00 0.00 42.92 43.37 1pma s ASP 152 CO -0.14 -1.19 2.15 -0.65 0.70 0.00 0.00 175.17 176.04 1pma h PRO 153 N 0.38 0.00 0.00 2.11 0.11 -1.78 -1.04 132.00 131.77 1pma h PRO 153 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1pma h PRO 153 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pma h PRO 153 CO 0.45 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 1pma n ALA 154 N -2.40 2.34 -0.82 -0.75 0.00 -1.26 -4.66 120.51 112.96 1pma n ALA 154 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pma n ALA 154 Cb 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.54 0.69 3.74 0.00 0.00 -0.39 -4.66 105.19 105.11 1pma n GLY 155 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.53 4.11 0.02 2.61 2.01 -1.26 -4.78 115.64 115.82 1pma s THR 156 Ca 0.00 1.81 0.03 0.00 0.31 0.00 0.00 61.69 63.84 1pma s THR 156 Cb 0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1pma s THR 156 CO 0.00 0.31 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.62 1pma s ILE 157 N -0.20 0.82 -0.05 1.82 2.07 -1.26 -2.31 121.20 122.08 1pma s ILE 157 Ca 0.48 -0.70 -0.16 0.00 -1.41 0.00 0.00 60.65 58.86 1pma s ILE 157 Cb -0.27 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.62 1pma s ILE 157 CO 0.33 0.04 0.37 0.20 -1.91 0.00 0.00 174.94 173.97 1pma s ASN 158 N -0.74 -0.30 -0.07 4.50 -0.87 -1.16 -5.00 114.94 111.29 1pma s ASN 158 Ca 0.01 0.34 -0.10 0.00 -1.57 0.00 0.00 52.86 51.54 1pma s ASN 158 Cb -0.06 0.47 -0.05 0.00 -0.02 0.00 0.00 41.25 41.59 1pma s ASN 158 CO 0.00 -0.38 0.24 -0.70 -2.57 0.00 0.00 177.10 173.69 1pma s GLU 159 N -0.89 3.61 0.37 -0.60 2.12 -1.26 -1.83 118.70 120.21 1pma s GLU 159 Ca -0.10 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.33 1pma s GLU 159 Cb -0.04 -3.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 1pma s GLU 159 CO 0.04 0.74 0.05 0.71 -0.54 0.00 0.00 175.26 176.26 1pma s TYR 160 N -1.06 2.07 -0.14 5.30 1.51 -0.29 -5.00 117.35 119.75 1pma s TYR 160 Ca 0.18 -0.93 0.17 0.00 -1.01 0.00 0.00 57.07 55.49 1pma s TYR 160 Cb -0.14 -1.42 -0.24 0.00 -0.11 0.00 0.00 41.96 40.05 1pma s TYR 160 CO 0.08 0.10 0.33 1.17 -1.11 0.00 0.00 175.55 176.11 1pma n LYS 161 N -0.84 0.67 -3.61 -0.62 3.00 -1.26 -4.53 118.16 110.97 1pma n LYS 161 Ca -0.05 0.08 -0.07 0.00 -0.00 0.00 0.00 58.31 58.28 1pma n LYS 161 Cb 0.67 -1.62 -0.05 0.00 0.00 0.00 0.00 35.03 34.03 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 -2.63 -2.02 0.10 3.14 0.00 -1.26 -1.42 121.76 117.67 1pma s ALA 162 Ca -0.08 1.73 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 1pma s ALA 162 Cb 0.07 -1.13 0.08 0.00 0.00 0.00 0.00 23.12 22.15 1pma s ALA 162 CO 0.83 -0.27 1.07 -0.08 0.00 0.00 0.00 175.76 177.32 1pma s THR 163 N -0.95 0.00 0.31 0.00 -1.32 -0.20 -4.99 115.64 108.49 1pma s THR 163 Ca 0.03 -0.52 0.06 0.00 -1.21 0.00 0.00 61.69 60.05 1pma s THR 163 Cb -0.01 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1pma s THR 163 CO -0.03 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.63 1pma s ALA 164 N -2.92 1.71 0.19 11.08 0.00 -1.26 -0.32 121.76 130.23 1pma s ALA 164 Ca 0.14 -1.99 -0.23 0.00 0.00 0.00 0.00 51.96 49.87 1pma s ALA 164 Cb 0.01 1.46 0.05 0.00 0.00 0.00 0.00 23.12 24.63 1pma s ALA 164 CO 0.01 -0.65 0.81 -1.50 0.00 0.00 0.00 175.76 174.42 1pma s ILE 165 N -3.57 0.00 0.00 0.00 1.10 0.89 -4.94 121.20 114.69 1pma s ILE 165 Ca 0.40 -0.64 0.00 0.00 -0.51 0.00 0.00 60.65 59.90 1pma s ILE 165 Cb 0.03 -1.75 0.00 0.00 0.15 0.00 0.00 42.46 40.89 1pma s ILE 165 CO 0.25 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.69 1pma n GLY 166 N -0.43 0.09 0.16 1.50 0.00 -1.26 -0.91 105.19 104.35 1pma n GLY 166 Ca -0.07 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 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 0.75 -0.35 0.00 1.61 0.87 -0.56 -3.24 113.55 112.64 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 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1pma h SER 167 CO 0.00 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 176.68 1pma n GLY 168 N -0.95 1.93 0.11 5.77 0.00 -1.26 -4.53 105.19 106.25 1pma n GLY 168 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.44 -0.19 -0.87 1.61 3.64 -1.79 -1.77 116.57 117.63 1pma h LYS 169 Ca 0.00 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.59 1pma h LYS 169 Cb 0.91 0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 32.61 1pma h LYS 169 CO 0.00 -0.13 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.52 1pma h ASP 170 N -0.20 -0.59 0.00 4.20 3.32 -1.89 0.11 116.42 121.37 1pma h ASP 170 Ca -0.01 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1pma h ASP 170 Cb 0.18 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pma h ASP 170 CO -0.04 -0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.21 1pma n ALA 171 N -3.22 -0.33 -0.34 3.45 0.00 -1.07 -1.98 120.51 117.02 1pma n ALA 171 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1pma n ALA 171 Cb 0.54 0.03 0.32 0.00 0.00 0.00 0.00 19.45 20.35 1pma n ALA 171 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1pma h VAL 172 N 0.00 0.76 -0.68 0.00 3.04 -1.02 0.19 116.25 118.53 1pma h VAL 172 Ca 0.00 -0.27 0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 172 Cb 0.00 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 29.15 1pma h VAL 172 CO 0.00 0.14 0.45 1.62 -1.01 0.00 0.00 177.57 178.78 1pma h VAL 173 N 0.78 1.15 -0.08 1.51 3.04 -0.76 -0.99 116.25 120.90 1pma h VAL 173 Ca 0.55 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.91 1pma h VAL 173 Cb 0.83 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1pma h VAL 173 CO -0.33 0.16 -0.02 0.28 -1.01 0.00 0.00 177.57 176.65 1pma h SER 174 N 0.89 0.16 -0.50 3.17 0.02 -0.00 0.23 113.55 117.52 1pma h SER 174 Ca 0.26 -0.38 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1pma h SER 174 Cb -0.05 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.34 1pma h SER 174 CO -0.06 0.51 -0.28 0.15 -1.14 0.00 0.00 176.83 176.00 1pma h PHE 175 N -0.19 -0.75 -0.18 3.45 3.04 -0.59 0.21 116.94 121.93 1pma h PHE 175 Ca 0.02 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1pma h PHE 175 Cb 0.44 0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1pma h PHE 175 CO 0.06 -0.35 0.08 -0.07 -2.02 0.00 0.00 178.31 176.01 1pma h LEU 176 N -0.16 0.24 -1.67 0.59 -0.00 -1.18 0.19 115.31 113.33 1pma h LEU 176 Ca 0.22 -0.14 0.36 0.00 -0.00 0.00 0.00 57.88 58.32 1pma h LEU 176 Cb 0.52 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1pma h LEU 176 CO -0.60 0.31 1.09 -0.08 -0.00 0.00 0.00 178.44 179.16 1pma h GLU 177 N 0.15 0.00 0.00 1.13 4.57 0.25 0.37 114.58 121.05 1pma h GLU 177 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1pma h GLU 177 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1pma h GLU 177 CO -0.01 0.00 -0.90 -2.13 -1.18 0.00 0.00 179.01 174.79 1pma n ARG 178 N -3.71 0.48 -0.68 1.92 0.63 -0.17 -4.74 116.66 110.39 1pma n ARG 178 Ca 0.28 0.19 0.02 0.00 -0.92 0.00 0.00 57.85 57.41 1pma n ARG 178 Cb 1.48 -1.34 0.27 0.00 0.45 0.00 0.00 32.46 33.32 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 -4.34 3.51 -2.55 -0.14 1.02 0.62 -4.94 120.64 113.82 1pma n GLU 179 Ca -0.13 -2.24 -0.42 0.00 -0.02 0.00 0.00 57.16 54.35 1pma n GLU 179 Cb 0.47 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.28 3.47 -0.32 -0.32 5.04 0.13 -4.91 117.35 118.16 1pma s TYR 180 Ca 0.39 1.44 -0.08 0.00 -2.44 0.00 0.00 57.07 56.38 1pma s TYR 180 Cb 0.31 -3.30 0.01 0.00 0.35 0.00 0.00 41.96 39.32 1pma s TYR 180 CO 0.11 -0.77 0.12 0.21 -1.34 0.00 0.00 175.55 173.88 1pma s LYS 181 N 1.36 3.07 0.00 4.97 2.47 -1.26 -5.04 119.74 125.31 1pma s LYS 181 Ca 0.55 -0.89 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 1pma s LYS 181 Cb -0.25 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 1pma s LYS 181 CO 0.26 -0.50 0.08 -1.91 0.16 0.00 0.00 175.35 173.44 1pma n GLU 182 N 4.91 0.00 -1.71 4.03 4.07 -1.26 -2.72 120.64 127.97 1pma n GLU 182 Ca -0.14 0.08 -0.36 0.00 -0.06 0.00 0.00 57.16 56.68 1pma n GLU 182 Cb 0.48 -0.26 0.04 0.00 -0.06 0.00 0.00 31.44 31.64 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 -0.31 7.41 -4.66 4.31 5.03 -1.26 -4.64 115.26 121.14 1pma n ASN 183 Ca 0.00 -3.72 -0.42 0.00 0.87 0.00 0.00 54.58 51.31 1pma n ASN 183 Cb 0.00 -1.07 -0.03 0.00 -1.02 0.00 0.00 39.78 37.66 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 -3.71 4.41 0.33 3.41 2.96 -1.10 -3.98 118.68 121.00 1pma s LEU 184 Ca 0.55 2.59 -0.29 0.00 -0.22 0.00 0.00 54.13 56.76 1pma s LEU 184 Cb 0.44 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.49 1pma s LEU 184 CO -0.29 -1.03 1.53 -2.84 -1.32 0.00 0.00 176.35 172.40 1pma s PRO 185 N 4.38 4.12 0.00 0.98 0.02 -1.26 -1.71 135.00 141.53 1pma s PRO 185 Ca 0.86 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.44 1pma s PRO 185 Cb -0.41 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1pma s PRO 185 CO 0.39 -0.57 0.11 -1.91 -0.33 0.00 0.00 177.00 174.69 1pma n GLU 186 N 1.32 0.00 -0.25 5.54 2.13 -1.26 -0.25 120.64 127.87 1pma n GLU 186 Ca 0.04 0.11 0.04 0.00 0.66 0.00 0.00 57.16 58.01 1pma n GLU 186 Cb 0.38 -0.16 0.13 0.00 0.27 0.00 0.00 31.44 32.06 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 0.06 -0.24 5.31 3.64 -1.99 0.40 116.57 123.74 1pma h LYS 187 Ca 0.00 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1pma h LYS 187 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1pma h LYS 187 CO 0.00 0.04 -0.58 0.93 -2.27 0.00 0.00 179.45 177.57 1pma h GLU 188 N 0.06 0.77 -0.01 1.90 5.08 -0.96 -2.32 114.58 119.10 1pma h GLU 188 Ca 0.39 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1pma h GLU 188 Cb 0.65 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1pma h GLU 188 CO -0.70 1.14 -0.08 0.00 -1.00 0.00 0.00 179.01 178.37 1pma h ALA 189 N 0.75 -0.08 -0.22 3.43 0.00 0.85 0.22 119.26 124.20 1pma h ALA 189 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pma h ALA 189 Cb 1.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1pma h ALA 189 CO 0.12 -0.57 0.15 -0.24 0.00 0.00 0.00 179.25 178.71 1pma h VAL 190 N -0.14 1.04 0.37 0.00 3.04 -0.34 -1.43 116.25 118.78 1pma h VAL 190 Ca 0.04 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1pma h VAL 190 Cb 0.19 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1pma h VAL 190 CO -0.09 0.05 -0.18 0.74 -1.01 0.00 0.00 177.57 177.08 1pma h THR 191 N 0.27 0.53 -1.01 3.17 2.02 -0.51 -1.05 112.91 116.33 1pma h THR 191 Ca 0.09 -0.60 0.22 0.00 0.77 0.00 0.00 66.41 66.89 1pma h THR 191 Cb 0.02 0.78 -0.11 0.00 -1.74 0.00 0.00 68.15 67.10 1pma h THR 191 CO -0.02 0.10 0.61 0.25 0.37 0.00 0.00 175.52 176.83 1pma h LEU 192 N -0.89 0.69 0.42 2.58 5.85 -0.17 -0.53 115.31 123.26 1pma h LEU 192 Ca -0.05 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1pma h LEU 192 Cb 0.54 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pma h LEU 192 CO 0.08 0.18 -0.20 1.23 -0.34 0.00 0.00 178.44 179.39 1pma h GLY 193 N 0.63 -0.59 0.82 3.75 0.00 -1.20 -0.84 103.07 105.65 1pma h GLY 193 Ca 0.60 0.22 0.13 0.00 0.00 0.00 0.00 47.33 48.28 1pma h GLY 193 CO -0.40 -0.21 0.46 1.19 0.00 0.00 0.00 176.54 177.58 1pma h ILE 194 N -0.98 0.82 0.27 2.60 2.10 -0.57 0.67 117.51 122.43 1pma h ILE 194 Ca -0.06 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.74 1pma h ILE 194 Cb 0.55 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1pma h ILE 194 CO 0.09 0.07 -0.13 0.50 -1.08 0.00 0.00 178.15 177.60 1pma h LYS 195 N 0.38 -0.35 -0.82 2.19 3.64 -1.12 0.21 116.57 120.71 1pma h LYS 195 Ca 0.33 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1pma h LYS 195 Cb 0.76 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 1pma h LYS 195 CO -0.09 -0.07 0.49 0.00 -2.27 0.00 0.00 179.45 177.51 1pma h ALA 196 N 0.02 1.13 -0.24 5.00 0.00 0.72 0.18 119.26 126.08 1pma h ALA 196 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pma h ALA 196 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pma h ALA 196 CO 0.06 0.18 0.10 1.25 0.00 0.00 0.00 179.25 180.85 1pma h LEU 197 N 0.86 0.32 0.00 0.00 5.85 0.37 -2.86 115.31 119.86 1pma h LEU 197 Ca 0.37 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 197 Cb 0.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1pma h LEU 197 CO -0.20 0.38 0.00 1.17 -0.34 0.00 0.00 178.44 179.45 1pma n LYS 198 N -4.81 0.00 -0.26 1.25 4.81 0.73 -2.78 118.16 117.09 1pma n LYS 198 Ca -0.03 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 57.92 1pma n LYS 198 Cb 0.12 -1.30 0.02 0.00 0.02 0.00 0.00 35.03 33.88 1pma n LYS 198 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pma n SER 199 N -1.76 -0.47 0.00 3.14 3.41 -0.12 -0.03 113.62 117.80 1pma n SER 199 Ca 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 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 -4.98 0.00 0.28 4.04 2.88 -1.08 -3.27 113.62 111.49 1pma n SER 200 Ca 0.06 0.13 0.18 0.00 -1.33 0.00 0.00 58.87 57.92 1pma n SER 200 Cb 0.26 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.55 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 -1.43 -3.34 115.31 116.35 1pma h LEU 201 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1pma h LEU 201 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1pma h LEU 201 CO 0.00 0.00 0.02 -0.62 -0.13 0.00 0.00 178.44 177.71 1pma n GLU 202 N -2.97 0.53 0.08 1.25 4.71 0.96 -3.18 120.64 122.02 1pma n GLU 202 Ca -0.00 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.16 56.97 1pma n GLU 202 Cb 0.22 -1.37 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 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 3.10 0.11 -1.10 3.49 4.22 -1.77 -3.15 114.58 119.47 1pma h GLU 203 Ca 0.02 -0.15 -0.35 0.00 0.08 0.00 0.00 59.36 58.96 1pma h GLU 203 Cb 0.48 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 29.59 1pma h GLU 203 CO 0.08 0.98 0.44 0.41 -2.18 0.00 0.00 179.01 178.74 1pma n GLY 204 N 1.11 3.82 5.28 1.92 0.00 -1.19 -4.98 105.19 111.15 1pma n GLY 204 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.39 0.00 -1.64 1.61 4.07 -1.19 -4.82 120.64 118.28 1pma n GLU 205 Ca 0.38 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.05 1pma n GLU 205 Cb 1.07 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.41 1pma n GLU 205 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1pma n GLU 206 N 0.00 2.60 0.22 5.31 2.13 -1.26 -4.84 120.64 124.79 1pma n GLU 206 Ca 0.00 0.90 0.15 0.00 0.66 0.00 0.00 57.16 58.87 1pma n GLU 206 Cb 0.00 -3.06 0.58 0.00 0.27 0.00 0.00 31.44 29.23 1pma n GLU 206 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1pma h LEU 207 N 11.75 0.00 0.00 4.31 5.85 -1.97 -3.49 115.31 131.76 1pma h LEU 207 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1pma h LEU 207 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1pma h LEU 207 CO 0.95 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.22 1pma n LYS 208 N -2.75 0.00 -3.79 1.25 3.00 -1.26 -4.45 118.16 110.16 1pma n LYS 208 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.96 1pma n LYS 208 Cb 0.30 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 -1.91 3.01 0.45 3.14 0.00 -1.25 -5.07 121.76 120.13 1pma s ALA 209 Ca 0.00 -1.87 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 1pma s ALA 209 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 1pma s ALA 209 CO 0.00 -1.40 1.01 -2.14 0.00 0.00 0.00 175.76 173.24 1pma s PRO 210 N 1.33 4.02 -0.22 0.00 0.02 -1.26 -2.81 135.00 136.08 1pma s PRO 210 Ca -0.01 1.32 -0.07 0.00 0.02 0.00 0.00 61.00 62.26 1pma s PRO 210 Cb -0.20 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 1pma s PRO 210 CO 0.01 -0.23 0.06 -2.00 -0.33 0.00 0.00 177.00 174.51 1pma s GLU 211 N -3.02 3.79 0.01 5.54 2.12 0.47 -4.85 118.70 122.76 1pma s GLU 211 Ca 0.63 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.55 1pma s GLU 211 Cb -0.15 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1pma s GLU 211 CO 0.20 0.02 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.40 1pma s ILE 212 N 1.04 0.24 -0.04 -3.70 2.07 -1.26 -0.52 121.20 119.03 1pma s ILE 212 Ca 0.04 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 58.77 1pma s ILE 212 Cb -0.14 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.20 1pma s ILE 212 CO 0.03 -0.11 0.22 0.00 -1.91 0.00 0.00 174.94 173.16 1pma s ALA 213 N -0.53 -0.53 -0.02 1.50 0.00 -0.65 -1.21 121.76 120.32 1pma s ALA 213 Ca -0.04 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1pma s ALA 213 Cb -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1pma s ALA 213 CO -0.00 -0.18 0.23 -1.54 0.00 0.00 0.00 175.76 174.27 1pma s SER 214 N -0.72 -0.11 0.08 0.00 1.04 0.63 -0.56 113.70 114.05 1pma s SER 214 Ca -0.08 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1pma s SER 214 Cb -0.05 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1pma s SER 214 CO 0.02 -0.37 -0.09 -0.51 0.98 0.00 0.00 173.24 173.27 1pma s ILE 215 N -1.14 0.79 0.09 -1.02 2.07 -0.79 -1.25 121.20 119.95 1pma s ILE 215 Ca -0.12 -1.45 0.04 0.00 -1.41 0.00 0.00 60.65 57.71 1pma s ILE 215 Cb -0.06 -1.11 -0.03 0.00 0.13 0.00 0.00 42.46 41.39 1pma s ILE 215 CO 0.03 -0.50 -0.11 0.28 -1.91 0.00 0.00 174.94 172.73 1pma s THR 216 N -2.09 0.99 0.29 4.00 -1.32 -1.26 -1.38 115.64 114.87 1pma s THR 216 Ca 0.00 -1.54 -0.29 0.00 -1.21 0.00 0.00 61.69 58.65 1pma s THR 216 Cb -0.05 -1.26 -0.13 0.00 -1.51 0.00 0.00 72.50 69.54 1pma s THR 216 CO -0.00 -0.46 1.21 0.55 -2.21 0.00 0.00 174.62 173.71 1pma n VAL 217 N 0.77 1.66 0.00 5.08 3.14 0.94 -2.27 118.33 127.65 1pma n VAL 217 Ca -0.18 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1pma n VAL 217 Cb 0.57 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 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 1.34 2.50 3.50 7.55 0.00 -1.26 -5.03 105.19 113.79 1pma n GLY 218 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1pma n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s ASN 219 N -1.30 0.84 0.74 1.61 4.22 -0.96 -5.16 114.94 114.92 1pma s ASN 219 Ca 0.00 -1.45 -0.11 0.00 -2.14 0.00 0.00 52.86 49.16 1pma s ASN 219 Cb 0.00 0.66 0.03 0.00 1.28 0.00 0.00 41.25 43.22 1pma s ASN 219 CO 0.00 -1.29 1.09 -0.54 -2.04 0.00 0.00 177.10 174.31 1pma s LYS 220 N -3.10 2.60 0.73 3.55 1.02 -1.26 -4.50 119.74 118.78 1pma s LYS 220 Ca 0.30 0.61 -0.15 0.00 0.02 0.00 0.00 55.97 56.75 1pma s LYS 220 Cb -0.00 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.37 1pma s LYS 220 CO 0.19 -1.25 1.21 0.71 -0.92 0.00 0.00 175.35 175.29 1pma s TYR 221 N -3.23 2.05 -0.07 3.18 2.02 -0.74 -4.61 117.35 115.96 1pma s TYR 221 Ca 0.59 1.60 0.01 0.00 -0.37 0.00 0.00 57.07 58.90 1pma s TYR 221 Cb -0.13 -3.47 0.02 0.00 -0.40 0.00 0.00 41.96 37.98 1pma s TYR 221 CO 0.53 -2.61 -0.08 0.50 -1.57 0.00 0.00 175.55 172.33 1pma s ARG 222 N -3.92 1.27 -0.17 -0.62 3.52 -0.38 -4.99 118.95 113.67 1pma s ARG 222 Ca 0.74 -0.23 -0.09 0.00 -0.13 0.00 0.00 55.73 56.02 1pma s ARG 222 Cb -0.29 -1.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.85 1pma s ARG 222 CO 0.45 -0.09 0.13 0.42 -0.81 0.00 0.00 175.30 175.41 1pma s ILE 223 N 1.04 5.45 0.20 4.11 1.01 -1.26 -0.27 121.20 131.47 1pma s ILE 223 Ca -0.08 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1pma s ILE 223 Cb -0.14 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1pma s ILE 223 CO -0.00 0.51 1.14 -0.31 0.00 0.00 0.00 174.94 176.28 1pma s TYR 224 N -0.20 3.53 0.40 3.97 1.51 -0.35 -4.99 117.35 121.22 1pma s TYR 224 Ca 0.11 1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 57.56 1pma s TYR 224 Cb -0.11 -3.34 -0.09 0.00 -0.11 0.00 0.00 41.96 38.31 1pma s TYR 224 CO 0.00 -0.82 0.83 0.16 -1.11 0.00 0.00 175.55 174.61 1pma s ASP 225 N -0.14 6.73 0.21 2.29 -4.77 -1.26 -4.77 116.67 114.96 1pma s ASP 225 Ca 0.50 1.39 -0.02 0.00 -3.30 0.00 0.00 52.55 51.12 1pma s ASP 225 Cb -0.31 -2.42 0.44 0.00 -1.09 0.00 0.00 42.92 39.54 1pma s ASP 225 CO 0.37 -0.35 1.09 1.67 0.70 0.00 0.00 175.17 178.65 1pma n GLN 226 N -0.84 -0.06 -0.04 2.11 7.27 -1.26 0.11 117.38 124.68 1pma n GLN 226 Ca 0.05 1.06 -0.13 0.00 0.07 0.00 0.00 57.00 58.05 1pma n GLN 226 Cb 0.54 -1.64 -0.08 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 0.25 -0.72 3.69 3.07 -1.98 -1.71 114.58 117.18 1pma h GLU 227 Ca 0.38 -0.12 0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1pma h GLU 227 Cb 0.71 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.57 1pma h GLU 227 CO -0.68 0.64 0.44 1.49 -1.40 0.00 0.00 179.01 179.50 1pma h GLU 228 N -0.14 0.81 -0.30 2.33 4.81 -0.69 -0.77 114.58 120.63 1pma h GLU 228 Ca 0.02 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1pma h GLU 228 Cb 0.59 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1pma h GLU 228 CO 0.02 0.54 -0.07 -0.24 -0.73 0.00 0.00 179.01 178.53 1pma h VAL 229 N 0.84 1.28 -0.08 0.32 3.04 -1.21 -2.62 116.25 117.81 1pma h VAL 229 Ca 0.30 -1.11 0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1pma h VAL 229 Cb 0.08 1.40 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1pma h VAL 229 CO -0.14 0.35 0.17 0.50 -1.01 0.00 0.00 177.57 177.44 1pma h LYS 230 N 0.34 0.00 -0.53 4.17 3.64 -0.47 0.87 116.57 124.59 1pma h LYS 230 Ca 0.07 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 1pma h LYS 230 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1pma h LYS 230 CO 0.03 0.00 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.85 1pma h LYS 231 N 0.00 1.02 0.00 1.90 3.64 -0.77 -2.98 116.57 119.38 1pma h LYS 231 Ca 0.04 -0.40 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 1pma h LYS 231 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1pma h LYS 231 CO -0.00 1.08 -0.67 0.74 -2.27 0.00 0.00 179.45 178.33 1pma h PHE 232 N 0.89 0.00 0.00 1.91 -1.00 -0.92 -3.52 116.94 114.30 1pma h PHE 232 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1pma h PHE 232 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 1pma h PHE 232 CO 0.05 0.41 0.00 -0.11 -1.61 0.00 0.00 178.31 177.04