#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdk s VAL 2 N 0.00 4.44 -0.04 0.00 1.01 -1.15 0.44 120.40 125.10 1pdk s VAL 2 Ca 0.00 -2.45 -0.34 0.00 0.00 0.00 0.00 61.98 59.19 1pdk s VAL 2 Cb 0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1pdk s VAL 2 CO 0.00 -0.89 1.80 -0.24 0.00 0.00 0.00 175.10 175.77 1pdk n SER 3 N 4.08 3.30 -3.93 3.32 2.88 0.22 -4.60 113.62 118.89 1pdk n SER 3 Ca 0.05 1.00 -0.39 0.00 -1.33 0.00 0.00 58.87 58.20 1pdk n SER 3 Cb 0.41 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.48 1pdk n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pdk n LEU 4 N 5.83 5.42 0.00 2.46 7.99 -1.26 -3.69 117.00 133.76 1pdk n LEU 4 Ca 0.21 -5.24 0.00 0.00 -0.01 0.00 0.00 56.01 50.98 1pdk n LEU 4 Cb 0.29 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 1pdk n LEU 4 CO 0.71 1.72 0.00 -0.90 -1.51 0.00 0.00 177.39 177.41 1pdk n ASP 5 N 1.51 0.00 -3.50 -1.43 5.75 -1.26 -4.39 116.55 113.23 1pdk n ASP 5 Ca 0.26 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.83 1pdk n ASP 5 Cb 0.36 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1pdk n ASP 5 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1pdk n ARG 6 N -1.66 0.65 0.00 0.11 0.00 -1.26 -5.08 116.66 109.42 1pdk n ARG 6 Ca 0.00 -2.88 0.09 0.00 -0.00 0.00 0.00 57.85 55.07 1pdk n ARG 6 Cb 0.00 1.53 -0.06 0.00 -0.00 0.00 0.00 32.46 33.93 1pdk n ARG 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pdk n THR 7 N -0.77 0.00 -3.84 8.89 -2.24 -1.26 -5.01 114.28 110.05 1pdk n THR 7 Ca -0.05 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1pdk n THR 7 Cb 0.51 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1pdk n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pdk s ARG 8 N -2.58 1.65 -0.04 -0.78 1.70 -1.26 -4.16 118.95 113.48 1pdk s ARG 8 Ca 0.11 -0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 54.37 1pdk s ARG 8 Cb 0.15 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 35.12 1pdk s ARG 8 CO 0.67 -0.74 0.08 0.00 -1.08 0.00 0.00 175.30 174.24 1pdk s ALA 9 N -3.92 -0.15 -0.14 7.88 0.00 -0.59 -5.00 121.76 119.85 1pdk s ALA 9 Ca 0.12 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1pdk s ALA 9 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1pdk s ALA 9 CO 0.05 -0.08 -0.04 0.14 0.00 0.00 0.00 175.76 175.82 1pdk s VAL 10 N 0.57 3.86 -0.39 0.00 -7.23 -1.26 -0.54 120.40 115.40 1pdk s VAL 10 Ca -0.04 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.59 1pdk s VAL 10 Cb -0.06 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1pdk s VAL 10 CO -0.02 0.52 0.34 0.12 -0.31 0.00 0.00 175.10 175.74 1pdk s PHE 11 N 0.12 3.21 -0.42 2.82 5.36 0.12 -4.93 117.98 124.27 1pdk s PHE 11 Ca -0.01 -0.40 -0.28 0.00 -0.96 0.00 0.00 56.93 55.27 1pdk s PHE 11 Cb -0.14 -2.67 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1pdk s PHE 11 CO 0.03 -0.57 1.66 0.34 -1.46 0.00 0.00 175.22 175.22 1pdk s ASP 12 N 1.73 5.94 0.42 6.13 3.68 -1.26 -1.25 116.67 132.06 1pdk s ASP 12 Ca 0.08 0.90 0.24 0.00 2.13 0.00 0.00 52.55 55.90 1pdk s ASP 12 Cb -0.18 -2.53 1.29 0.00 -1.45 0.00 0.00 42.92 40.05 1pdk s ASP 12 CO 0.11 -1.74 1.70 1.23 0.13 0.00 0.00 175.17 176.60 1pdk h GLY 13 N 13.66 0.00 2.00 2.66 0.00 -0.23 0.10 103.07 121.26 1pdk h GLY 13 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1pdk h GLY 13 CO 1.09 0.00 -0.23 1.48 0.00 0.00 0.00 176.54 178.88 1pdk h SER 14 N 0.00 0.00 -3.24 0.19 4.64 -1.88 -3.41 113.55 109.85 1pdk h SER 14 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1pdk h SER 14 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1pdk h SER 14 CO 0.00 0.23 -0.01 -1.61 -0.87 0.00 0.00 176.83 174.57 1pdk s GLU 15 N -3.54 3.48 0.09 4.77 0.41 0.36 -5.01 118.70 119.26 1pdk s GLU 15 Ca 0.01 -0.04 0.22 0.00 -0.41 0.00 0.00 54.97 54.76 1pdk s GLU 15 Cb 0.09 -2.49 -0.08 0.00 -1.78 0.00 0.00 34.13 29.87 1pdk s GLU 15 CO 0.65 -0.09 0.88 1.17 -0.49 0.00 0.00 175.26 177.38 1pdk n LYS 16 N -2.08 0.51 -3.63 1.61 3.00 -1.26 -4.93 118.16 111.38 1pdk n LYS 16 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.31 58.25 1pdk n LYS 16 Cb 0.56 -1.66 -0.01 0.00 0.00 0.00 0.00 35.03 33.91 1pdk n LYS 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1pdk s SER 17 N -4.63 -0.20 0.02 3.14 1.04 -1.26 -3.49 113.70 108.31 1pdk s SER 17 Ca -0.01 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1pdk s SER 17 Cb 0.12 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1pdk s SER 17 CO 0.83 -0.58 0.46 0.00 0.98 0.00 0.00 173.24 174.93 1pdk s MET 18 N -2.91 0.91 0.03 4.02 0.23 0.10 -5.00 119.30 116.69 1pdk s MET 18 Ca 0.10 -0.20 0.02 0.00 -1.03 0.00 0.00 55.69 54.59 1pdk s MET 18 Cb 0.00 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1pdk s MET 18 CO -0.03 -0.30 0.02 0.95 -2.03 0.00 0.00 175.02 173.63 1pdk s THR 19 N -2.01 4.25 -0.12 3.16 -4.23 -1.26 -0.39 115.64 115.04 1pdk s THR 19 Ca -0.08 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1pdk s THR 19 Cb -0.02 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1pdk s THR 19 CO 0.01 0.27 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.97 1pdk s LEU 20 N -1.88 2.43 0.11 4.79 2.96 -0.30 -4.98 118.68 121.81 1pdk s LEU 20 Ca 0.23 -0.43 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 1pdk s LEU 20 Cb -0.12 -1.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.98 1pdk s LEU 20 CO 0.14 0.16 0.74 -1.81 -1.32 0.00 0.00 176.35 174.27 1pdk s ASP 21 N 0.36 7.28 0.25 3.68 -0.00 -1.26 -1.63 116.67 125.34 1pdk s ASP 21 Ca -0.14 1.52 0.01 0.00 -0.00 0.00 0.00 52.55 53.93 1pdk s ASP 21 Cb -0.17 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.24 1pdk s ASP 21 CO 0.07 0.15 0.12 0.27 -0.00 0.00 0.00 175.17 175.78 1pdk s ILE 22 N -0.73 0.32 -0.23 0.77 -4.36 -0.65 -4.40 121.20 111.91 1pdk s ILE 22 Ca 0.36 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1pdk s ILE 22 Cb -0.22 -2.57 0.15 0.00 1.25 0.00 0.00 42.46 41.07 1pdk s ILE 22 CO 0.24 0.00 1.13 -0.94 0.24 0.00 0.00 174.94 175.61 1pdk s SER 23 N -3.27 -0.29 -0.22 4.36 1.04 -1.24 -1.96 113.70 112.12 1pdk s SER 23 Ca 0.38 0.41 -0.25 0.00 0.48 0.00 0.00 55.95 56.97 1pdk s SER 23 Cb 0.07 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1pdk s SER 23 CO 0.14 -0.20 0.86 0.21 0.98 0.00 0.00 173.24 175.23 1pdk s ASN 24 N -0.63 6.90 0.00 7.02 3.84 0.74 -0.61 114.94 132.20 1pdk s ASN 24 Ca 0.03 1.11 0.23 0.00 0.21 0.00 0.00 52.86 54.44 1pdk s ASN 24 Cb -0.02 -2.45 0.11 0.00 -0.55 0.00 0.00 41.25 38.33 1pdk s ASN 24 CO -0.04 -0.51 1.17 0.47 -2.79 0.00 0.00 177.10 175.40 1pdk n ASP 25 N 5.87 2.57 -4.84 -4.21 8.00 1.50 -0.81 116.55 124.63 1pdk n ASP 25 Ca 0.06 -1.78 -0.33 0.00 0.71 0.00 0.00 54.79 53.45 1pdk n ASP 25 Cb 0.48 0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1pdk n ASP 25 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pdk s ASN 26 N -2.15 6.85 0.00 -2.24 2.47 -1.26 -4.52 114.94 114.09 1pdk s ASN 26 Ca 0.24 1.49 0.19 0.00 0.42 0.00 0.00 52.86 55.19 1pdk s ASN 26 Cb 0.19 -2.46 0.43 0.00 -1.45 0.00 0.00 41.25 37.96 1pdk s ASN 26 CO 0.40 -0.30 1.36 0.29 -3.72 0.00 0.00 177.10 175.13 1pdk n LYS 27 N -0.55 2.47 0.00 0.43 4.01 -1.26 -1.74 118.16 121.52 1pdk n LYS 27 Ca 0.05 -2.24 0.00 0.00 -0.51 0.00 0.00 58.31 55.61 1pdk n LYS 27 Cb 0.54 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1pdk n LYS 27 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1pdk n GLN 28 N 1.25 0.00 -2.63 1.97 1.13 -1.26 -4.89 117.38 112.95 1pdk n GLN 28 Ca 0.18 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.83 1pdk n GLN 28 Cb 0.54 -0.09 -0.04 0.00 0.11 0.00 0.00 30.24 30.76 1pdk n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pdk s LEU 29 N -3.85 4.48 0.43 1.08 1.02 -1.26 -4.67 118.68 115.91 1pdk s LEU 29 Ca 0.00 1.90 -0.22 0.00 0.02 0.00 0.00 54.13 55.83 1pdk s LEU 29 Cb 0.00 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.52 1pdk s LEU 29 CO 0.00 -0.17 1.00 -2.16 0.02 0.00 0.00 176.35 175.04 1pdk s PRO 30 N 0.04 4.11 0.21 1.29 0.04 -1.26 -4.18 135.00 135.25 1pdk s PRO 30 Ca 0.49 1.30 0.11 0.00 0.04 0.00 0.00 61.00 62.93 1pdk s PRO 30 Cb -0.26 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1pdk s PRO 30 CO 0.31 -0.15 -0.17 0.71 0.04 0.00 0.00 177.00 177.74 1pdk s TYR 31 N -1.96 2.43 -0.31 0.56 4.12 0.13 -4.36 117.35 117.97 1pdk s TYR 31 Ca 0.62 -0.30 -0.11 0.00 0.02 0.00 0.00 57.07 57.29 1pdk s TYR 31 Cb -0.15 -1.16 -0.02 0.00 -1.52 0.00 0.00 41.96 39.11 1pdk s TYR 31 CO 0.19 0.56 0.20 -1.17 0.02 0.00 0.00 175.55 175.35 1pdk s LEU 32 N -2.98 4.25 -0.41 -1.29 2.96 0.35 -0.12 118.68 121.44 1pdk s LEU 32 Ca 0.25 -0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 1pdk s LEU 32 Cb -0.07 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1pdk s LEU 32 CO 0.13 -0.17 0.31 0.00 -1.32 0.00 0.00 176.35 175.30 1pdk s ALA 33 N 1.70 3.48 -0.12 5.97 0.00 0.75 0.55 121.76 134.08 1pdk s ALA 33 Ca 0.06 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.13 1pdk s ALA 33 Cb -0.17 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1pdk s ALA 33 CO 0.09 -1.47 0.39 -0.65 0.00 0.00 0.00 175.76 174.12 1pdk s GLN 34 N 1.69 4.25 -0.08 0.00 -0.21 0.71 -2.08 119.66 123.95 1pdk s GLN 34 Ca 0.05 0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.74 1pdk s GLN 34 Cb -0.19 -3.40 0.02 0.00 1.00 0.00 0.00 33.01 30.43 1pdk s GLN 34 CO 0.10 0.26 -0.11 0.00 -2.12 0.00 0.00 175.29 173.42 1pdk s ALA 35 N 0.35 1.27 0.19 6.09 0.00 -0.32 -1.03 121.76 128.32 1pdk s ALA 35 Ca 0.22 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 1pdk s ALA 35 Cb -0.14 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1pdk s ALA 35 CO 0.08 0.00 0.43 1.67 0.00 0.00 0.00 175.76 177.94 1pdk s TRP 36 N 0.88 0.13 -0.02 0.00 -2.14 -0.84 -4.52 118.94 112.44 1pdk s TRP 36 Ca -0.10 -0.48 0.05 0.00 2.66 0.00 0.00 56.10 58.22 1pdk s TRP 36 Cb -0.15 0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 1pdk s TRP 36 CO 0.01 -0.85 -0.15 0.42 -2.66 0.00 0.00 176.95 173.72 1pdk s ILE 37 N -3.92 2.99 0.25 0.66 1.01 -1.26 -1.02 121.20 119.90 1pdk s ILE 37 Ca 0.14 -0.88 0.12 0.00 0.00 0.00 0.00 60.65 60.02 1pdk s ILE 37 Cb 0.01 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1pdk s ILE 37 CO -0.00 0.50 -0.21 -1.61 0.00 0.00 0.00 174.94 173.62 1pdk s GLU 38 N -0.99 1.63 0.66 2.79 2.02 -0.45 -1.21 118.70 123.15 1pdk s GLU 38 Ca 0.13 -1.68 -0.05 0.00 0.02 0.00 0.00 54.97 53.39 1pdk s GLU 38 Cb -0.11 -1.80 0.14 0.00 0.10 0.00 0.00 34.13 32.46 1pdk s GLU 38 CO 0.02 0.36 0.90 0.27 0.02 0.00 0.00 175.26 176.83 1pdk n ASN 39 N -0.31 0.70 -0.09 -0.19 0.23 -0.17 -1.45 115.26 113.97 1pdk n ASN 39 Ca -0.08 -1.71 0.26 0.00 -0.53 0.00 0.00 54.58 52.52 1pdk n ASN 39 Cb 0.59 -0.63 0.71 0.00 -2.08 0.00 0.00 39.78 38.37 1pdk n ASN 39 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1pdk h GLU 40 N 0.00 0.00 -0.38 -3.83 4.11 -1.80 0.76 114.58 113.43 1pdk h GLU 40 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1pdk h GLU 40 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1pdk h GLU 40 CO 0.27 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.44 1pdk n ASN 41 N -3.93 2.10 -1.80 3.06 3.02 -1.26 -4.91 115.26 111.53 1pdk n ASN 41 Ca 0.15 -1.97 -0.16 0.00 -0.03 0.00 0.00 54.58 52.57 1pdk n ASN 41 Cb 0.92 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.83 1pdk n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pdk n GLN 42 N 0.64 -1.28 -3.81 3.52 6.02 0.26 -5.00 117.38 117.74 1pdk n GLN 42 Ca 0.14 0.79 -0.35 0.00 -0.01 0.00 0.00 57.00 57.57 1pdk n GLN 42 Cb 0.34 -5.18 -0.08 0.00 1.02 0.00 0.00 30.24 26.34 1pdk n GLN 42 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pdk s GLU 43 N -4.73 4.04 0.40 -1.09 2.02 -1.25 -4.78 118.70 113.30 1pdk s GLU 43 Ca 0.00 -0.23 -0.27 0.00 0.02 0.00 0.00 54.97 54.49 1pdk s GLU 43 Cb 0.00 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1pdk s GLU 43 CO 0.00 0.36 1.37 1.17 0.02 0.00 0.00 175.26 178.18 1pdk n LYS 44 N 3.31 2.26 -3.67 1.61 4.81 -1.26 -1.00 118.16 124.22 1pdk n LYS 44 Ca -0.17 0.80 -0.20 0.00 -0.87 0.00 0.00 58.31 57.87 1pdk n LYS 44 Cb 0.52 -2.51 -0.17 0.00 0.02 0.00 0.00 35.03 32.89 1pdk n LYS 44 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1pdk s ILE 45 N -1.15 -0.14 -0.21 3.15 -4.36 -0.35 -4.84 121.20 113.30 1pdk s ILE 45 Ca 0.58 0.40 0.14 0.00 -0.26 0.00 0.00 60.65 61.50 1pdk s ILE 45 Cb -0.50 -0.19 -0.20 0.00 1.25 0.00 0.00 42.46 42.82 1pdk s ILE 45 CO 0.60 0.16 0.39 -0.38 0.24 0.00 0.00 174.94 175.95 1pdk n ILE 46 N 5.30 0.00 -0.04 8.37 5.41 -1.26 -4.33 119.36 132.81 1pdk n ILE 46 Ca -0.03 -0.28 -0.15 0.00 1.00 0.00 0.00 62.75 63.29 1pdk n ILE 46 Cb 0.50 0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 39.78 1pdk n ILE 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1pdk h THR 47 N 0.00 1.38 0.00 1.39 1.35 -1.95 -3.48 112.91 111.60 1pdk h THR 47 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1pdk h THR 47 Cb 0.54 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1pdk h THR 47 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1pdk n GLY 48 N 0.53 -0.19 0.04 5.82 0.00 -1.26 -4.87 105.19 105.26 1pdk n GLY 48 Ca -0.07 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.57 1pdk n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pdk n PRO 49 N 0.00 0.08 -4.48 1.61 -0.04 -1.26 -4.94 135.00 125.98 1pdk n PRO 49 Ca 0.00 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1pdk n PRO 49 Cb 0.00 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.71 1pdk n PRO 49 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pdk s VAL 50 N -3.08 3.74 0.11 0.52 1.01 -1.26 -0.79 120.40 120.65 1pdk s VAL 50 Ca 0.09 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1pdk s VAL 50 Cb 0.13 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1pdk s VAL 50 CO 0.43 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 175.32 1pdk s ILE 51 N 0.32 3.43 -0.09 2.22 -1.09 0.17 -4.87 121.20 121.30 1pdk s ILE 51 Ca -0.05 -1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1pdk s ILE 51 Cb -0.14 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 1pdk s ILE 51 CO 0.03 0.10 -0.04 0.00 -1.23 0.00 0.00 174.94 173.80 1pdk s ALA 52 N -1.25 1.00 0.01 9.38 0.00 -1.26 -1.51 121.76 128.14 1pdk s ALA 52 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1pdk s ALA 52 Cb -0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1pdk s ALA 52 CO 0.14 -0.36 0.04 0.95 0.00 0.00 0.00 175.76 176.53 1pdk s THR 53 N 1.67 0.09 0.69 0.00 -4.23 -0.52 -4.09 115.64 109.25 1pdk s THR 53 Ca 0.02 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1pdk s THR 53 Cb -0.13 -0.31 0.01 0.00 1.34 0.00 0.00 72.50 73.41 1pdk s THR 53 CO -0.05 -0.42 1.06 -2.16 -0.54 0.00 0.00 174.62 172.51 1pdk s PRO 54 N -1.32 2.94 0.44 3.99 0.04 -1.26 0.66 135.00 140.50 1pdk s PRO 54 Ca -0.14 0.97 0.21 0.00 0.04 0.00 0.00 61.00 62.08 1pdk s PRO 54 Cb -0.08 -1.99 1.04 0.00 0.04 0.00 0.00 34.50 33.51 1pdk s PRO 54 CO 0.00 -1.10 1.91 -1.35 0.04 0.00 0.00 177.00 176.51 1pdk h PRO 55 N -0.68 0.00 -2.46 0.56 0.11 -1.80 -3.41 132.00 124.33 1pdk h PRO 55 Ca -0.44 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1pdk h PRO 55 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 1pdk h PRO 55 CO 0.57 0.24 -0.04 0.08 -0.21 0.00 0.00 178.00 178.64 1pdk s VAL 56 N -4.02 0.02 0.09 3.15 1.01 -1.26 -1.17 120.40 118.21 1pdk s VAL 56 Ca -0.02 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 1pdk s VAL 56 Cb 0.13 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.77 1pdk s VAL 56 CO 0.65 -0.08 0.57 0.00 0.00 0.00 0.00 175.10 176.24 1pdk s GLN 57 N -0.78 1.15 -0.12 2.72 -2.07 -0.88 -4.96 119.66 114.72 1pdk s GLN 57 Ca -0.08 -0.29 -0.18 0.00 -1.82 0.00 0.00 55.36 52.99 1pdk s GLN 57 Cb -0.03 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1pdk s GLN 57 CO 0.05 -0.45 0.45 0.50 -1.32 0.00 0.00 175.29 174.53 1pdk s ARG 58 N -2.92 4.32 -0.19 9.60 3.52 -1.26 -0.18 118.95 131.84 1pdk s ARG 58 Ca -0.03 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 1pdk s ARG 58 Cb -0.00 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1pdk s ARG 58 CO -0.06 0.18 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.99 1pdk s LEU 59 N 0.57 2.16 0.68 -0.88 1.43 0.83 -4.96 118.68 118.51 1pdk s LEU 59 Ca 0.25 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 1pdk s LEU 59 Cb -0.15 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1pdk s LEU 59 CO 0.10 -0.12 1.08 -1.61 0.23 0.00 0.00 176.35 176.02 1pdk s GLU 60 N 1.41 2.83 0.12 1.70 0.41 -1.26 0.22 118.70 124.13 1pdk s GLU 60 Ca 0.00 1.16 -0.35 0.00 -0.41 0.00 0.00 54.97 55.38 1pdk s GLU 60 Cb -0.15 -1.97 -0.17 0.00 -1.78 0.00 0.00 34.13 30.06 1pdk s GLU 60 CO -0.09 -1.20 1.14 -2.30 -0.49 0.00 0.00 175.26 172.33 1pdk n PRO 61 N -2.81 0.87 -1.16 0.39 -0.02 -1.26 -0.72 135.00 130.30 1pdk n PRO 61 Ca 0.09 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1pdk n PRO 61 Cb 0.53 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1pdk n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pdk n GLY 62 N 2.05 0.54 3.92 -1.23 0.00 0.01 -4.95 105.19 105.53 1pdk n GLY 62 Ca 0.17 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1pdk n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdk s ALA 63 N -1.51 3.36 0.06 4.61 0.00 0.10 -4.76 121.76 123.61 1pdk s ALA 63 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1pdk s ALA 63 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1pdk s ALA 63 CO 0.00 -0.71 -0.07 -1.59 0.00 0.00 0.00 175.76 173.40 1pdk s LYS 64 N -4.92 0.61 0.00 0.00 -2.85 -1.26 -0.19 119.74 111.13 1pdk s LYS 64 Ca 0.53 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 1pdk s LYS 64 Cb -0.10 -0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 1pdk s LYS 64 CO 0.44 0.01 0.00 -1.13 0.10 0.00 0.00 175.35 174.77 1pdk n SER 65 N 0.91 0.00 -3.97 0.03 3.41 -0.83 -4.99 113.62 108.19 1pdk n SER 65 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 1pdk n SER 65 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1pdk n SER 65 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1pdk s MET 66 N 1.27 1.38 -0.04 4.33 1.00 -1.26 -1.64 119.30 124.33 1pdk s MET 66 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 55.69 54.03 1pdk s MET 66 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.16 1pdk s MET 66 CO 0.00 -0.49 -0.05 0.08 0.00 0.00 0.00 175.02 174.56 1pdk s VAL 67 N -3.95 0.57 -0.20 -6.03 1.01 -0.65 -4.68 120.40 106.47 1pdk s VAL 67 Ca 0.37 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1pdk s VAL 67 Cb 0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1pdk s VAL 67 CO 0.15 0.22 0.26 -0.60 0.00 0.00 0.00 175.10 175.14 1pdk s ARG 68 N 0.76 4.17 -0.25 2.72 3.52 0.21 -1.15 118.95 128.93 1pdk s ARG 68 Ca -0.10 -0.02 -0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1pdk s ARG 68 Cb -0.13 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1pdk s ARG 68 CO 0.00 0.11 0.14 -0.51 -0.81 0.00 0.00 175.30 174.24 1pdk s LEU 69 N 0.89 3.95 0.15 -0.88 1.02 0.48 -1.44 118.68 122.84 1pdk s LEU 69 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 1pdk s LEU 69 Cb -0.13 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 1pdk s LEU 69 CO 0.04 0.03 0.08 -0.94 0.02 0.00 0.00 176.35 175.58 1pdk s SER 70 N 1.28 0.27 0.13 2.29 1.04 -0.57 -0.72 113.70 117.42 1pdk s SER 70 Ca 0.07 -1.26 0.10 0.00 0.48 0.00 0.00 55.95 55.34 1pdk s SER 70 Cb -0.14 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1pdk s SER 70 CO 0.06 -0.76 -0.24 0.42 0.98 0.00 0.00 173.24 173.70 1pdk s THR 71 N -4.08 2.44 0.71 2.02 -4.23 -1.23 0.46 115.64 111.74 1pdk s THR 71 Ca 0.28 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1pdk s THR 71 Cb 0.07 -2.10 0.10 0.00 1.34 0.00 0.00 72.50 71.92 1pdk s THR 71 CO 0.05 0.07 1.00 0.42 -0.54 0.00 0.00 174.62 175.61 1pdk s THR 72 N -1.15 2.25 0.35 3.99 -4.23 0.03 -4.95 115.64 111.93 1pdk s THR 72 Ca 0.16 -0.47 0.05 0.00 -1.18 0.00 0.00 61.69 60.24 1pdk s THR 72 Cb -0.10 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.15 1pdk s THR 72 CO 0.08 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.42 1pdk h PRO 73 N -0.56 0.55 0.00 3.99 0.11 -1.99 -2.50 132.00 131.59 1pdk h PRO 73 Ca -0.40 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pdk h PRO 73 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1pdk h PRO 73 CO 0.46 0.52 0.00 -0.25 -0.21 0.00 0.00 178.00 178.52 1pdk n ASP 74 N -4.32 0.00 0.22 -2.05 9.92 -1.26 -1.90 116.55 117.17 1pdk n ASP 74 Ca 0.02 -0.23 0.05 0.00 -0.53 0.00 0.00 54.79 54.10 1pdk n ASP 74 Cb 0.20 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 41.19 1pdk n ASP 74 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1pdk h ILE 75 N 0.00 1.12 -0.00 0.53 6.09 -1.71 -0.88 117.51 122.66 1pdk h ILE 75 Ca 0.00 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 1pdk h ILE 75 Cb 0.00 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1pdk h ILE 75 CO 0.00 0.18 0.05 0.77 -3.07 0.00 0.00 178.15 176.08 1pdk h SER 76 N 0.00 0.00 1.34 2.19 4.64 -1.63 -0.82 113.55 119.28 1pdk h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pdk h SER 76 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1pdk h SER 76 CO 0.02 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.09 1pdk h LYS 77 N 0.00 0.00 -7.22 4.77 1.57 -1.39 -3.45 116.57 110.84 1pdk h LYS 77 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1pdk h LYS 77 Cb 0.10 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.51 1pdk h LYS 77 CO -0.00 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 178.74 1pdk s LEU 78 N -5.56 3.37 0.47 2.94 1.43 -0.31 -4.95 118.68 116.06 1pdk s LEU 78 Ca 0.05 1.90 -0.24 0.00 -1.03 0.00 0.00 54.13 54.81 1pdk s LEU 78 Cb 0.08 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 1pdk s LEU 78 CO 0.56 -1.51 1.38 -0.81 0.23 0.00 0.00 176.35 176.20 1pdk n PRO 79 N -2.45 2.05 -0.10 1.29 -0.04 -1.26 -4.89 135.00 129.59 1pdk n PRO 79 Ca 0.10 0.74 0.12 0.00 -0.04 0.00 0.00 63.50 64.41 1pdk n PRO 79 Cb 0.52 -2.56 0.16 0.00 -0.04 0.00 0.00 33.50 31.58 1pdk n PRO 79 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pdk n GLN 80 N -0.33 2.43 -0.02 0.54 1.13 -1.26 -4.29 117.38 115.59 1pdk n GLN 80 Ca 0.07 -2.13 0.03 0.00 -1.94 0.00 0.00 57.00 53.03 1pdk n GLN 80 Cb 0.42 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.32 1pdk n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1pdk n ASP 81 N 1.43 1.74 -3.74 1.08 5.75 -1.26 -4.46 116.55 117.09 1pdk n ASP 81 Ca 0.17 -1.41 -0.10 0.00 -0.01 0.00 0.00 54.79 53.44 1pdk n ASP 81 Cb 0.61 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.62 1pdk n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pdk s ARG 82 N -0.64 1.19 0.58 0.11 1.70 -1.26 -4.77 118.95 115.87 1pdk s ARG 82 Ca 0.09 -0.86 -0.17 0.00 -0.47 0.00 0.00 55.73 54.32 1pdk s ARG 82 Cb 0.06 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1pdk s ARG 82 CO 0.08 -0.47 1.08 -1.21 -1.08 0.00 0.00 175.30 173.70 1pdk s GLU 83 N -3.86 3.28 -0.04 3.89 2.02 -0.19 -4.52 118.70 119.29 1pdk s GLU 83 Ca 0.08 1.34 0.06 0.00 0.02 0.00 0.00 54.97 56.47 1pdk s GLU 83 Cb 0.01 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1pdk s GLU 83 CO -0.06 -0.85 -0.24 -1.12 0.02 0.00 0.00 175.26 173.01 1pdk s SER 84 N -2.45 2.85 -0.05 -0.19 0.01 -0.38 -4.90 113.70 108.58 1pdk s SER 84 Ca 0.66 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1pdk s SER 84 Cb -0.18 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 1pdk s SER 84 CO 0.34 0.25 0.50 -0.22 0.41 0.00 0.00 173.24 174.52 1pdk s LEU 85 N -0.30 4.37 0.22 2.44 0.20 -1.26 -0.10 118.68 124.25 1pdk s LEU 85 Ca 0.02 0.96 -0.00 0.00 0.69 0.00 0.00 54.13 55.79 1pdk s LEU 85 Cb -0.12 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.86 1pdk s LEU 85 CO 0.02 0.11 0.16 -0.36 -0.29 0.00 0.00 176.35 175.98 1pdk s PHE 86 N -0.01 1.21 -0.02 5.38 0.40 0.47 -2.27 117.98 123.13 1pdk s PHE 86 Ca 0.27 -1.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.23 1pdk s PHE 86 Cb -0.16 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1pdk s PHE 86 CO 0.13 -0.68 -0.08 0.71 0.70 0.00 0.00 175.22 176.01 1pdk s TYR 87 N -4.07 0.84 -0.18 0.36 1.51 -0.53 0.46 117.35 115.74 1pdk s TYR 87 Ca 0.39 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1pdk s TYR 87 Cb 0.06 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.27 1pdk s TYR 87 CO 0.14 -0.09 0.06 0.12 -1.11 0.00 0.00 175.55 174.67 1pdk s PHE 88 N 0.19 3.24 -0.04 2.71 5.36 0.23 -1.34 117.98 128.32 1pdk s PHE 88 Ca -0.03 0.05 0.07 0.00 -0.96 0.00 0.00 56.93 56.06 1pdk s PHE 88 Cb -0.08 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1pdk s PHE 88 CO 0.00 0.14 -0.25 -0.80 -1.46 0.00 0.00 175.22 172.85 1pdk s ASN 89 N 0.38 3.06 -0.15 6.13 -0.87 -0.19 -1.10 114.94 122.21 1pdk s ASN 89 Ca 0.03 -0.50 -0.01 0.00 -1.57 0.00 0.00 52.86 50.81 1pdk s ASN 89 Cb -0.12 -0.66 0.04 0.00 -0.02 0.00 0.00 41.25 40.48 1pdk s ASN 89 CO 0.00 0.27 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.56 1pdk s LEU 90 N -0.32 1.32 -0.08 0.60 2.96 -0.25 -1.98 118.68 120.92 1pdk s LEU 90 Ca 0.01 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1pdk s LEU 90 Cb -0.12 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1pdk s LEU 90 CO 0.02 -0.20 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.04 1pdk s ARG 91 N 1.74 2.80 -0.29 1.98 3.52 -0.19 0.01 118.95 128.51 1pdk s ARG 91 Ca 0.02 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 1pdk s ARG 91 Cb -0.15 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1pdk s ARG 91 CO -0.07 0.35 0.05 -1.83 -0.81 0.00 0.00 175.30 172.99 1pdk s GLU 92 N -0.05 2.94 -0.20 5.12 -1.05 -0.43 -0.21 118.70 124.82 1pdk s GLU 92 Ca -0.06 -0.95 -0.16 0.00 -0.15 0.00 0.00 54.97 53.66 1pdk s GLU 92 Cb -0.15 -3.30 -0.04 0.00 -0.44 0.00 0.00 34.13 30.20 1pdk s GLU 92 CO 0.05 -0.48 0.39 0.42 0.95 0.00 0.00 175.26 176.59 1pdk s ILE 93 N 1.44 5.20 0.51 1.83 -1.09 0.19 -3.77 121.20 125.51 1pdk s ILE 93 Ca 0.01 0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 1pdk s ILE 93 Cb -0.18 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1pdk s ILE 93 CO 0.01 0.26 0.77 -2.16 -1.23 0.00 0.00 174.94 172.58 1pdk s PRO 94 N 1.29 3.02 0.43 2.79 0.04 -1.26 -0.49 135.00 140.82 1pdk s PRO 94 Ca 0.19 -0.27 -0.26 0.00 0.04 0.00 0.00 61.00 60.70 1pdk s PRO 94 Cb -0.15 -2.43 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1pdk s PRO 94 CO 0.08 -0.45 1.45 -1.25 0.04 0.00 0.00 177.00 176.87 1pdk s PRO 95 N -4.74 3.79 0.62 0.56 0.04 -1.26 -4.92 135.00 129.09 1pdk s PRO 95 Ca 0.51 2.47 -0.18 0.00 0.04 0.00 0.00 61.00 63.84 1pdk s PRO 95 Cb -0.10 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1pdk s PRO 95 CO 0.41 -0.76 1.06 2.89 0.04 0.00 0.00 177.00 180.64 1pdk n ARG 96 N -0.03 0.94 -3.15 4.56 0.00 -1.26 -4.96 116.66 112.75 1pdk n ARG 96 Ca 0.04 0.37 -0.39 0.00 -0.00 0.00 0.00 57.85 57.87 1pdk n ARG 96 Cb 0.41 -2.28 -0.06 0.00 -0.00 0.00 0.00 32.46 30.54 1pdk n ARG 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pdk s SER 97 N -1.31 7.07 0.18 2.89 0.15 -1.26 -4.96 113.70 116.47 1pdk s SER 97 Ca 0.78 1.28 0.04 0.00 0.70 0.00 0.00 55.95 58.75 1pdk s SER 97 Cb -0.40 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1pdk s SER 97 CO 0.45 0.13 1.42 1.05 1.20 0.00 0.00 173.24 177.48 1pdk h GLU 98 N 5.33 0.16 -6.58 5.44 9.09 -2.05 -3.45 114.58 122.51 1pdk h GLU 98 Ca -0.46 -0.17 -0.50 0.00 0.05 0.00 0.00 59.36 58.28 1pdk h GLU 98 Cb 1.20 0.05 0.23 0.00 -1.65 0.00 0.00 28.75 28.58 1pdk h GLU 98 CO 0.68 0.89 -1.10 1.63 0.05 0.00 0.00 179.01 181.17 1pdk n LYS 99 N -3.68 -0.70 -4.01 1.06 5.02 -1.26 -5.00 118.16 109.59 1pdk n LYS 99 Ca -0.03 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 1pdk n LYS 99 Cb 0.77 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 1pdk n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pdk s ALA 100 N -2.26 3.66 -1.06 7.82 0.00 -1.26 -4.71 121.76 123.95 1pdk s ALA 100 Ca 0.53 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1pdk s ALA 100 Cb -0.15 -1.19 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1pdk s ALA 100 CO 0.69 0.15 0.76 0.09 0.00 0.00 0.00 175.76 177.44 1pdk n ASN 101 N -1.24 -5.51 -4.30 0.00 3.02 -1.26 -4.99 115.26 100.98 1pdk n ASN 101 Ca -0.05 -0.92 -0.26 0.00 -0.03 0.00 0.00 54.58 53.31 1pdk n ASN 101 Cb 0.59 -3.30 -0.13 0.00 -0.61 0.00 0.00 39.78 36.32 1pdk n ASN 101 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pdk s VAL 102 N -3.35 1.87 -0.35 2.41 1.01 -1.26 -5.10 120.40 115.63 1pdk s VAL 102 Ca 0.37 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1pdk s VAL 102 Cb -0.13 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1pdk s VAL 102 CO 0.86 0.13 0.19 -0.22 0.00 0.00 0.00 175.10 176.05 1pdk s LEU 103 N -1.58 4.50 -0.19 3.92 0.20 -1.26 -5.06 118.68 119.22 1pdk s LEU 103 Ca 0.09 -0.84 -0.21 0.00 0.69 0.00 0.00 54.13 53.86 1pdk s LEU 103 Cb -0.10 -2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1pdk s LEU 103 CO 0.03 -0.32 0.64 -1.10 -0.29 0.00 0.00 176.35 175.31 1pdk s GLN 104 N 1.57 4.23 -0.21 1.98 -1.52 -1.26 -5.05 119.66 119.41 1pdk s GLN 104 Ca 0.03 0.65 -0.05 0.00 -1.95 0.00 0.00 55.36 54.03 1pdk s GLN 104 Cb -0.18 -3.56 -0.02 0.00 -0.22 0.00 0.00 33.01 29.02 1pdk s GLN 104 CO 0.06 -0.21 0.01 0.42 -0.25 0.00 0.00 175.29 175.32 1pdk s ILE 105 N 1.81 4.02 0.08 1.08 -1.09 -1.26 -5.10 121.20 120.73 1pdk s ILE 105 Ca 0.30 -0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1pdk s ILE 105 Cb -0.16 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1pdk s ILE 105 CO 0.11 0.42 -0.06 0.00 -1.23 0.00 0.00 174.94 174.17 1pdk s ALA 106 N 1.06 3.07 -0.01 9.38 0.00 -1.26 -4.91 121.76 129.09 1pdk s ALA 106 Ca 0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1pdk s ALA 106 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1pdk s ALA 106 CO 0.02 0.65 0.21 -0.51 0.00 0.00 0.00 175.76 176.13 1pdk s LEU 107 N -2.05 4.37 -0.03 0.00 1.43 -1.25 -4.98 118.68 116.18 1pdk s LEU 107 Ca 0.22 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1pdk s LEU 107 Cb -0.11 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1pdk s LEU 107 CO 0.14 0.26 0.08 -1.58 0.23 0.00 0.00 176.35 175.48 1pdk s GLN 108 N -1.88 0.09 -0.13 1.70 0.74 -1.26 -1.31 119.66 117.60 1pdk s GLN 108 Ca 0.27 0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.82 1pdk s GLN 108 Cb -0.13 0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.01 1pdk s GLN 108 CO 0.18 -0.02 -0.20 0.99 -0.55 0.00 0.00 175.29 175.68 1pdk s THR 109 N 0.13 2.34 -0.18 -0.34 2.01 0.10 -4.97 115.64 114.73 1pdk s THR 109 Ca -0.01 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1pdk s THR 109 Cb -0.01 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1pdk s THR 109 CO -0.00 0.54 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.58 1pdk s LYS 110 N 0.61 3.18 0.08 4.92 2.20 -1.26 -1.09 119.74 128.38 1pdk s LYS 110 Ca -0.11 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.83 1pdk s LYS 110 Cb -0.16 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1pdk s LYS 110 CO 0.03 -0.10 -0.19 0.96 -0.36 0.00 0.00 175.35 175.69 1pdk s ILE 111 N 1.12 1.52 0.40 5.43 -4.36 -0.26 -4.97 121.20 120.07 1pdk s ILE 111 Ca 0.00 -1.40 -0.26 0.00 -0.26 0.00 0.00 60.65 58.74 1pdk s ILE 111 Cb -0.14 -1.39 -0.09 0.00 1.25 0.00 0.00 42.46 42.09 1pdk s ILE 111 CO -0.05 -0.06 1.25 -0.54 0.24 0.00 0.00 174.94 175.78 1pdk s LYS 112 N -1.71 4.03 -0.19 0.37 1.02 -1.26 -0.60 119.74 121.40 1pdk s LYS 112 Ca 0.04 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.06 1pdk s LYS 112 Cb -0.10 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1pdk s LYS 112 CO 0.03 -0.39 -0.07 -1.17 -0.92 0.00 0.00 175.35 172.82 1pdk s LEU 113 N -2.40 2.05 -0.30 3.17 2.96 0.17 -1.53 118.68 122.80 1pdk s LEU 113 Ca 0.56 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1pdk s LEU 113 Cb -0.35 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1pdk s LEU 113 CO 0.45 -0.18 0.34 -0.36 -1.32 0.00 0.00 176.35 175.28 1pdk s PHE 114 N 1.49 3.23 -0.38 5.38 0.40 0.30 -0.40 117.98 128.01 1pdk s PHE 114 Ca -0.01 0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 56.28 1pdk s PHE 114 Cb -0.16 -2.58 0.01 0.00 0.51 0.00 0.00 43.02 40.80 1pdk s PHE 114 CO -0.08 -0.30 0.85 -0.47 0.70 0.00 0.00 175.22 175.92 1pdk s TYR 115 N 2.01 3.07 -0.40 0.36 5.04 0.86 0.15 117.35 128.44 1pdk s TYR 115 Ca 0.13 0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 55.28 1pdk s TYR 115 Cb -0.16 -3.56 0.08 0.00 0.35 0.00 0.00 41.96 38.67 1pdk s TYR 115 CO 0.11 -0.82 0.21 0.50 -1.34 0.00 0.00 175.55 174.20 1pdk s ARG 116 N 3.31 2.40 0.49 4.97 3.52 -0.38 -1.25 118.95 132.00 1pdk s ARG 116 Ca 0.34 -1.54 -0.22 0.00 -0.13 0.00 0.00 55.73 54.18 1pdk s ARG 116 Cb -0.12 -3.63 -0.09 0.00 -1.56 0.00 0.00 34.95 29.55 1pdk s ARG 116 CO 0.19 -0.94 0.97 -2.30 -0.81 0.00 0.00 175.30 172.41 1pdk n PRO 117 N 4.78 1.18 -0.24 5.12 -0.02 -1.26 0.48 135.00 145.03 1pdk n PRO 117 Ca -0.08 0.43 0.22 0.00 -2.02 0.00 0.00 63.50 62.05 1pdk n PRO 117 Cb 0.42 -2.08 0.56 0.00 -0.02 0.00 0.00 33.50 32.39 1pdk n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pdk h ALA 118 N 1.14 2.37 0.00 3.55 0.00 -1.88 -0.67 119.26 123.77 1pdk h ALA 118 Ca -0.46 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1pdk h ALA 118 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1pdk h ALA 118 CO 0.54 -0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.06 1pdk h ALA 119 N 1.60 1.77 -0.40 0.00 0.00 -1.88 -2.49 119.26 117.86 1pdk h ALA 119 Ca 0.48 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1pdk h ALA 119 Cb 1.35 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1pdk h ALA 119 CO -0.15 0.09 0.05 0.44 0.00 0.00 0.00 179.25 179.67 1pdk n ILE 120 N -4.30 2.52 -1.67 0.00 -5.35 -0.26 -5.01 119.36 105.29 1pdk n ILE 120 Ca -0.03 -2.10 -0.42 0.00 -0.27 0.00 0.00 62.75 59.93 1pdk n ILE 120 Cb 0.15 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1pdk n ILE 120 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1pdk n LYS 121 N -0.65 1.85 -4.15 6.28 4.81 -0.94 -4.93 118.16 120.43 1pdk n LYS 121 Ca 0.30 0.65 -0.30 0.00 -0.87 0.00 0.00 58.31 58.09 1pdk n LYS 121 Cb 1.05 -2.25 -0.08 0.00 0.02 0.00 0.00 35.03 33.77 1pdk n LYS 121 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1pdk s THR 122 N -1.16 3.93 0.10 3.15 -1.32 -1.26 -5.09 115.64 114.00 1pdk s THR 122 Ca 0.59 -1.01 -0.31 0.00 -1.21 0.00 0.00 61.69 59.75 1pdk s THR 122 Cb -0.56 -2.87 -0.07 0.00 -1.51 0.00 0.00 72.50 67.50 1pdk s THR 122 CO 0.60 0.13 1.24 -0.13 -2.21 0.00 0.00 174.62 174.25 1pdk s ARG 123 N -2.27 4.42 0.60 7.08 0.52 -1.26 -4.86 118.95 123.17 1pdk s ARG 123 Ca 0.25 1.86 0.31 0.00 -0.52 0.00 0.00 55.73 57.63 1pdk s ARG 123 Cb -0.12 -3.30 1.17 0.00 0.52 0.00 0.00 34.95 33.22 1pdk s ARG 123 CO 0.17 -0.27 1.46 -1.35 0.02 0.00 0.00 175.30 175.34 1pdk h PRO 124 N 6.51 0.00 0.00 3.54 0.11 -2.05 0.63 132.00 140.74 1pdk h PRO 124 Ca -0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1pdk h PRO 124 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1pdk h PRO 124 CO 0.81 0.00 -1.37 0.27 -0.21 0.00 0.00 178.00 177.50 1pdk n ASN 125 N -3.46 0.84 -4.65 -2.05 0.23 -1.26 -4.99 115.26 99.92 1pdk n ASN 125 Ca 0.24 0.36 -0.45 0.00 -0.53 0.00 0.00 54.58 54.21 1pdk n ASN 125 Cb 1.45 0.23 -0.02 0.00 -2.08 0.00 0.00 39.78 39.36 1pdk n ASN 125 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1pdk n GLU 126 N -2.85 1.86 -3.80 -3.83 2.13 0.22 -5.00 120.64 109.38 1pdk n GLU 126 Ca -0.08 0.66 -0.30 0.00 0.66 0.00 0.00 57.16 58.10 1pdk n GLU 126 Cb 0.80 -2.26 -0.13 0.00 0.27 0.00 0.00 31.44 30.11 1pdk n GLU 126 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1pdk s VAL 127 N -0.31 1.80 -0.75 6.31 1.01 -1.26 -4.90 120.40 122.30 1pdk s VAL 127 Ca 0.66 -2.76 0.26 0.00 0.00 0.00 0.00 61.98 60.15 1pdk s VAL 127 Cb -0.67 -2.26 0.28 0.00 0.00 0.00 0.00 36.38 33.72 1pdk s VAL 127 CO 0.53 -0.85 1.79 -2.67 0.00 0.00 0.00 175.10 173.90 1pdk n TRP 128 N 3.47 0.81 0.42 5.22 2.14 -1.26 -3.45 117.44 124.79 1pdk n TRP 128 Ca 0.07 0.24 0.07 0.00 2.07 0.00 0.00 57.50 59.95 1pdk n TRP 128 Cb 0.34 -0.89 0.30 0.00 -0.81 0.00 0.00 31.31 30.25 1pdk n TRP 128 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1pdk n GLN 129 N -2.17 0.03 -0.05 -2.67 3.00 -1.26 -1.60 117.38 112.67 1pdk n GLN 129 Ca 0.05 0.31 0.01 0.00 -0.01 0.00 0.00 57.00 57.37 1pdk n GLN 129 Cb 0.40 -1.56 0.04 0.00 0.00 0.00 0.00 30.24 29.12 1pdk n GLN 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1pdk n ASP 130 N -1.62 0.53 -0.34 1.08 5.68 -1.22 -2.36 116.55 118.30 1pdk n ASP 130 Ca 0.03 -2.00 0.11 0.00 -0.50 0.00 0.00 54.79 52.42 1pdk n ASP 130 Cb 0.15 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 1pdk n ASP 130 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pdk n GLN 131 N -0.22 0.83 -1.83 0.11 6.02 -0.63 -4.43 117.38 117.23 1pdk n GLN 131 Ca 0.03 -0.69 -0.40 0.00 -0.01 0.00 0.00 57.00 55.94 1pdk n GLN 131 Cb 0.09 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.88 1pdk n GLN 131 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pdk s LEU 132 N -2.64 4.10 -0.08 1.08 1.02 -0.99 -4.62 118.68 116.55 1pdk s LEU 132 Ca 0.15 2.87 0.04 0.00 0.02 0.00 0.00 54.13 57.21 1pdk s LEU 132 Cb 0.17 -3.97 0.00 0.00 0.02 0.00 0.00 46.19 42.42 1pdk s LEU 132 CO 0.66 -1.17 -0.20 -0.63 0.02 0.00 0.00 176.35 175.03 1pdk s ILE 133 N -1.22 1.70 -0.17 -0.59 1.01 -0.92 -4.43 121.20 116.57 1pdk s ILE 133 Ca 0.62 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1pdk s ILE 133 Cb -0.43 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1pdk s ILE 133 CO 0.54 0.48 -0.03 -0.76 0.00 0.00 0.00 174.94 175.18 1pdk s LEU 134 N 0.33 3.22 -0.10 2.97 1.02 -0.94 -1.23 118.68 123.94 1pdk s LEU 134 Ca -0.14 -0.17 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1pdk s LEU 134 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1pdk s LEU 134 CO 0.06 0.12 -0.23 0.20 0.02 0.00 0.00 176.35 176.52 1pdk s ASN 135 N 0.63 3.04 0.05 2.29 -0.87 -0.59 -0.09 114.94 119.40 1pdk s ASN 135 Ca -0.02 -0.55 -0.31 0.00 -1.57 0.00 0.00 52.86 50.41 1pdk s ASN 135 Cb -0.14 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.25 39.64 1pdk s ASN 135 CO 0.02 0.15 1.34 -0.75 -2.57 0.00 0.00 177.10 175.29 1pdk s LYS 136 N 0.39 4.34 0.12 -0.60 2.36 0.46 -0.07 119.74 126.74 1pdk s LYS 136 Ca -0.18 1.94 -0.00 0.00 -2.55 0.00 0.00 55.97 55.18 1pdk s LYS 136 Cb -0.18 -3.41 -0.04 0.00 -1.05 0.00 0.00 37.83 33.15 1pdk s LYS 136 CO 0.08 -0.44 0.02 0.14 1.55 0.00 0.00 175.35 176.70 1pdk s VAL 137 N 1.62 0.29 -0.09 4.02 -7.23 -0.63 -4.89 120.40 113.49 1pdk s VAL 137 Ca 0.62 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 1pdk s VAL 137 Cb -0.32 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 1pdk s VAL 137 CO 0.28 -0.60 2.04 -0.24 -0.31 0.00 0.00 175.10 176.27 1pdk n SER 138 N -0.08 3.60 0.00 4.85 2.88 -1.26 -1.75 113.62 121.86 1pdk n SER 138 Ca -0.08 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1pdk n SER 138 Cb 0.63 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1pdk n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pdk n GLY 139 N 5.00 2.33 0.00 0.46 0.00 -1.26 -4.94 105.19 106.78 1pdk n GLY 139 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pdk n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdk n GLY 140 N -2.00 -0.79 3.12 -0.02 0.00 -0.72 -1.08 105.19 103.71 1pdk n GLY 140 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1pdk n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pdk s TYR 141 N -3.00 1.07 -0.43 1.61 1.51 -0.75 -1.60 117.35 115.76 1pdk s TYR 141 Ca 0.00 -0.37 -0.18 0.00 -1.01 0.00 0.00 57.07 55.51 1pdk s TYR 141 Cb 0.00 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1pdk s TYR 141 CO 0.00 0.02 0.47 0.50 -1.11 0.00 0.00 175.55 175.42 1pdk s ARG 142 N -1.21 3.11 -0.22 -0.62 3.52 0.89 -1.44 118.95 122.98 1pdk s ARG 142 Ca -0.01 -0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 54.71 1pdk s ARG 142 Cb -0.08 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 1pdk s ARG 142 CO 0.01 -0.89 0.35 0.42 -0.81 0.00 0.00 175.30 174.38 1pdk s ILE 143 N 2.23 5.23 -0.08 4.11 1.01 -0.22 -1.55 121.20 131.93 1pdk s ILE 143 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1pdk s ILE 143 Cb -0.17 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1pdk s ILE 143 CO 0.14 0.25 -0.08 -0.70 0.00 0.00 0.00 174.94 174.55 1pdk s GLU 144 N 1.41 2.92 -0.55 2.79 2.12 -0.37 -1.95 118.70 125.08 1pdk s GLU 144 Ca 0.16 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.93 1pdk s GLU 144 Cb -0.15 -2.61 0.14 0.00 0.26 0.00 0.00 34.13 31.77 1pdk s GLU 144 CO 0.08 0.55 0.31 1.21 -0.54 0.00 0.00 175.26 176.87 1pdk s ASN 145 N -0.51 4.61 0.00 -1.70 2.47 0.13 -2.18 114.94 117.76 1pdk s ASN 145 Ca 0.07 -2.96 0.25 0.00 0.42 0.00 0.00 52.86 50.65 1pdk s ASN 145 Cb -0.12 -1.71 1.35 0.00 -1.45 0.00 0.00 41.25 39.33 1pdk s ASN 145 CO 0.02 -0.27 1.85 -0.81 -3.72 0.00 0.00 177.10 174.17 1pdk n PRO 146 N 3.24 0.51 -1.74 0.43 -0.04 -1.26 -1.55 135.00 134.60 1pdk n PRO 146 Ca 0.06 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 1pdk n PRO 146 Cb 0.34 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1pdk n PRO 146 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pdk s THR 147 N -2.37 2.95 -2.04 0.52 -4.23 -1.26 -4.49 115.64 104.72 1pdk s THR 147 Ca 0.29 0.31 0.26 0.00 -1.18 0.00 0.00 61.69 61.36 1pdk s THR 147 Cb 0.17 -3.19 0.71 0.00 1.34 0.00 0.00 72.50 71.53 1pdk s THR 147 CO 0.35 -0.40 1.96 -2.65 -0.54 0.00 0.00 174.62 173.34 1pdk n PRO 148 N -3.28 1.07 -4.22 3.99 -0.02 -1.26 -1.21 135.00 130.06 1pdk n PRO 148 Ca 0.07 -0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.21 1pdk n PRO 148 Cb 0.58 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.58 1pdk n PRO 148 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pdk s TYR 149 N -1.99 2.63 0.22 6.00 1.51 -1.26 -1.02 117.35 123.43 1pdk s TYR 149 Ca 0.38 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.76 1pdk s TYR 149 Cb 0.18 -1.57 -0.09 0.00 -0.11 0.00 0.00 41.96 40.37 1pdk s TYR 149 CO 0.30 0.41 0.85 0.71 -1.11 0.00 0.00 175.55 176.70 1pdk s TYR 150 N -2.47 3.89 -0.12 2.71 1.51 -1.26 -3.45 117.35 118.15 1pdk s TYR 150 Ca 0.36 1.74 -0.00 0.00 -1.01 0.00 0.00 57.07 58.15 1pdk s TYR 150 Cb -0.01 -2.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.02 1pdk s TYR 150 CO 0.21 0.45 -0.08 0.08 -1.11 0.00 0.00 175.55 175.10 1pdk s VAL 151 N -1.24 1.07 -0.32 0.71 1.01 -0.20 -4.96 120.40 116.46 1pdk s VAL 151 Ca 0.40 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1pdk s VAL 151 Cb -0.23 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1pdk s VAL 151 CO 0.28 0.34 0.39 -0.89 0.00 0.00 0.00 175.10 175.22 1pdk s THR 152 N 1.69 5.14 -0.27 3.92 2.01 -1.26 -0.39 115.64 126.47 1pdk s THR 152 Ca 0.04 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.22 1pdk s THR 152 Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1pdk s THR 152 CO -0.08 -0.03 0.16 -0.69 -0.69 0.00 0.00 174.62 173.29 1pdk s VAL 153 N 2.10 5.09 -1.04 3.82 1.01 0.59 -1.92 120.40 130.06 1pdk s VAL 153 Ca 0.14 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1pdk s VAL 153 Cb -0.16 -3.41 0.15 0.00 0.00 0.00 0.00 36.38 32.95 1pdk s VAL 153 CO 0.11 0.27 0.96 2.30 0.00 0.00 0.00 175.10 178.75 1pdk n ILE 154 N 4.99 0.38 -3.64 2.22 -5.35 0.16 -0.90 119.36 117.22 1pdk n ILE 154 Ca -0.15 -0.69 -0.07 0.00 -0.27 0.00 0.00 62.75 61.58 1pdk n ILE 154 Cb 0.52 0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 1pdk n ILE 154 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pdk s GLY 155 N -0.87 0.02 -0.08 3.28 0.00 -1.04 -4.76 107.32 103.87 1pdk s GLY 155 Ca 0.14 2.98 -0.02 0.00 0.00 0.00 0.00 44.72 47.83 1pdk s GLY 155 CO 0.12 1.96 0.01 -2.27 0.00 0.00 0.00 173.10 172.92 1pdk s LEU 156 N 0.30 0.58 0.00 0.66 2.96 -1.26 0.62 118.68 122.54 1pdk s LEU 156 Ca 0.03 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1pdk s LEU 156 Cb -0.05 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.24 1pdk s LEU 156 CO -0.10 -0.21 0.36 0.61 -1.32 0.00 0.00 176.35 175.69 1pdk n GLY 157 N 5.16 2.28 0.39 7.98 0.00 0.16 -4.64 105.19 116.53 1pdk n GLY 157 Ca -0.07 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1pdk n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdk n GLY 158 N -0.38 -0.20 3.34 -0.02 0.00 -1.26 0.15 105.19 106.81 1pdk n GLY 158 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1pdk n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pdk s SER 159 N -2.56 0.00 0.43 1.61 1.04 -1.26 -4.62 113.70 108.34 1pdk s SER 159 Ca 0.18 -0.76 0.13 0.00 0.48 0.00 0.00 55.95 55.98 1pdk s SER 159 Cb 0.18 0.44 1.00 0.00 0.10 0.00 0.00 66.02 67.74 1pdk s SER 159 CO 0.61 -0.89 2.00 -0.08 0.98 0.00 0.00 173.24 175.86 1pdk h GLU 160 N 2.52 0.42 -0.06 4.02 4.81 -1.94 -2.21 114.58 122.13 1pdk h GLU 160 Ca -0.32 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.64 1pdk h GLU 160 Cb 1.23 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.53 1pdk h GLU 160 CO 0.48 0.28 -0.92 1.57 -0.73 0.00 0.00 179.01 179.69 1pdk h LYS 161 N 0.43 0.71 -0.17 1.92 2.10 -2.00 -3.08 116.57 116.48 1pdk h LYS 161 Ca 0.25 -0.67 -0.08 0.00 -2.00 0.00 0.00 60.65 58.15 1pdk h LYS 161 Cb 0.43 0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1pdk h LYS 161 CO -0.07 1.27 -0.24 1.96 -2.00 0.00 0.00 179.45 180.37 1pdk h GLN 162 N 0.44 0.32 -0.23 0.07 4.20 -1.83 -2.09 115.11 115.97 1pdk h GLN 162 Ca -0.09 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1pdk h GLN 162 Cb 1.56 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 1pdk h GLN 162 CO 0.18 0.54 -0.34 0.00 -0.67 0.00 0.00 178.83 178.55 1pdk h ALA 163 N 1.47 0.98 0.00 3.87 0.00 -1.44 0.80 119.26 124.95 1pdk h ALA 163 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1pdk h ALA 163 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pdk h ALA 163 CO 0.04 0.60 -0.70 0.93 0.00 0.00 0.00 179.25 180.12 1pdk h GLU 164 N 0.42 0.00 0.00 0.00 5.08 -1.40 -3.38 114.58 115.30 1pdk h GLU 164 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pdk h GLU 164 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1pdk h GLU 164 CO 0.06 0.70 -0.11 0.39 -1.00 0.00 0.00 179.01 179.06 1pdk n GLU 165 N -3.32 0.06 -0.03 2.33 1.02 -0.81 -5.05 120.64 114.83 1pdk n GLU 165 Ca 0.01 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 1pdk n GLU 165 Cb 0.80 -0.48 -0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1pdk n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pdk n GLY 166 N 2.07 -0.00 3.55 0.62 0.00 0.27 -4.70 105.19 106.99 1pdk n GLY 166 Ca -0.02 0.02 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 1pdk n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pdk n GLU 167 N 0.05 0.89 -3.39 1.61 -0.58 -1.26 -4.84 120.64 113.11 1pdk n GLU 167 Ca 0.00 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 57.08 1pdk n GLU 167 Cb 0.00 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.08 1pdk n GLU 167 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1pdk s PHE 168 N -0.30 -0.70 -0.61 -0.32 5.36 -1.26 -4.92 117.98 115.22 1pdk s PHE 168 Ca 0.74 1.19 -0.28 0.00 -0.96 0.00 0.00 56.93 57.62 1pdk s PHE 168 Cb -0.91 0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.21 1pdk s PHE 168 CO 0.54 -0.35 1.26 -1.83 -1.46 0.00 0.00 175.22 173.37 1pdk s GLU 169 N 2.49 3.40 0.46 10.12 -1.05 -1.26 -4.89 118.70 127.96 1pdk s GLU 169 Ca -0.02 0.17 -0.21 0.00 -0.15 0.00 0.00 54.97 54.76 1pdk s GLU 169 Cb -0.06 -4.07 -0.12 0.00 -0.44 0.00 0.00 34.13 29.44 1pdk s GLU 169 CO -0.17 -1.84 0.56 0.25 0.95 0.00 0.00 175.26 175.01 1pdk n THR 170 N 6.64 1.88 -3.87 1.83 -2.24 -1.26 -4.99 114.28 112.28 1pdk n THR 170 Ca 0.08 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1pdk n THR 170 Cb 0.49 -0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 1pdk n THR 170 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pdk s VAL 171 N -1.53 0.06 -0.10 2.28 0.11 -0.08 -4.99 120.40 116.15 1pdk s VAL 171 Ca 0.64 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1pdk s VAL 171 Cb -0.56 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1pdk s VAL 171 CO 0.57 -0.25 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.74 1pdk s MET 172 N -0.84 3.06 -0.20 1.54 1.75 -1.26 -0.30 119.30 123.05 1pdk s MET 172 Ca -0.09 -0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 53.83 1pdk s MET 172 Cb -0.05 -2.75 -0.02 0.00 2.84 0.00 0.00 34.83 34.85 1pdk s MET 172 CO 0.01 0.59 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.43 1pdk s LEU 173 N -0.58 3.09 0.78 4.11 2.01 0.47 -4.96 118.68 123.61 1pdk s LEU 173 Ca 0.09 -0.27 -0.11 0.00 0.01 0.00 0.00 54.13 53.85 1pdk s LEU 173 Cb -0.12 -1.78 0.06 0.00 0.01 0.00 0.00 46.19 44.36 1pdk s LEU 173 CO 0.02 0.05 1.08 -0.44 1.01 0.00 0.00 176.35 178.07 1pdk s SER 174 N 1.08 4.59 0.66 2.29 0.01 -1.26 -1.03 113.70 120.04 1pdk s SER 174 Ca 0.02 1.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.68 1pdk s SER 174 Cb -0.15 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1pdk s SER 174 CO 0.01 -1.94 0.83 -2.65 0.41 0.00 0.00 173.24 169.89 1pdk n PRO 175 N -3.44 0.61 -4.31 12.44 -0.02 -1.22 -2.52 135.00 136.53 1pdk n PRO 175 Ca 0.08 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 1pdk n PRO 175 Cb 0.54 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 1pdk n PRO 175 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pdk n ARG 176 N -1.14 -0.90 -3.84 -0.52 3.00 -0.35 -4.90 116.66 108.00 1pdk n ARG 176 Ca 0.13 0.10 -0.20 0.00 -0.01 0.00 0.00 57.85 57.86 1pdk n ARG 176 Cb 0.49 -3.68 -0.05 0.00 0.00 0.00 0.00 32.46 29.21 1pdk n ARG 176 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pdk n SER 177 N -2.74 1.73 -3.54 0.55 2.88 -0.59 -4.96 113.62 106.95 1pdk n SER 177 Ca -0.25 -2.62 -0.12 0.00 -1.33 0.00 0.00 58.87 54.55 1pdk n SER 177 Cb 0.64 0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 64.67 1pdk n SER 177 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1pdk s GLU 178 N -3.22 0.80 -0.01 -1.46 -6.30 -1.26 0.17 118.70 107.42 1pdk s GLU 178 Ca 0.11 0.06 -0.29 0.00 -2.50 0.00 0.00 54.97 52.35 1pdk s GLU 178 Cb 0.01 0.37 0.10 0.00 0.00 0.00 0.00 34.13 34.61 1pdk s GLU 178 CO 0.08 -0.28 0.89 1.14 0.02 0.00 0.00 175.26 177.11 1pdk s GLN 179 N -1.65 0.82 -0.05 4.30 -2.07 -0.82 -5.01 119.66 115.17 1pdk s GLN 179 Ca -0.03 -0.29 -0.02 0.00 -1.82 0.00 0.00 55.36 53.20 1pdk s GLN 179 Cb -0.00 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 1pdk s GLN 179 CO 0.01 -0.36 0.05 0.99 -1.32 0.00 0.00 175.29 174.67 1pdk s THR 180 N -3.09 4.64 -0.06 3.63 2.01 -1.26 -1.05 115.64 120.46 1pdk s THR 180 Ca 0.05 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.83 1pdk s THR 180 Cb -0.01 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 1pdk s THR 180 CO -0.09 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.44 1pdk s VAL 181 N -1.04 1.75 0.26 3.82 1.01 -0.52 -4.99 120.40 120.69 1pdk s VAL 181 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1pdk s VAL 181 Cb -0.12 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 1pdk s VAL 181 CO 0.07 0.49 1.41 -0.75 0.00 0.00 0.00 175.10 176.32 1pdk s LYS 182 N 0.03 4.29 0.02 2.72 2.20 -1.26 -1.80 119.74 125.94 1pdk s LYS 182 Ca -0.06 2.27 -0.28 0.00 -0.36 0.00 0.00 55.97 57.54 1pdk s LYS 182 Cb -0.13 -3.11 0.10 0.00 -1.51 0.00 0.00 37.83 33.17 1pdk s LYS 182 CO 0.04 -0.37 0.86 0.45 -0.36 0.00 0.00 175.35 175.97 1pdk s SER 183 N 0.21 -0.37 0.62 1.43 0.15 -0.24 -4.88 113.70 110.62 1pdk s SER 183 Ca 0.57 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 57.10 1pdk s SER 183 Cb -0.41 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1pdk s SER 183 CO 0.45 -0.68 0.99 0.00 1.20 0.00 0.00 173.24 175.20 1pdk s ALA 184 N -3.20 3.12 0.16 5.45 0.00 -1.26 -3.79 121.76 122.24 1pdk s ALA 184 Ca 0.05 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 1pdk s ALA 184 Cb -0.01 -2.89 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1pdk s ALA 184 CO -0.09 -0.81 0.87 1.21 0.00 0.00 0.00 175.76 176.95 1pdk s ASN 185 N -4.25 7.48 -0.08 0.00 3.84 -1.26 -4.97 114.94 115.70 1pdk s ASN 185 Ca 0.55 1.76 0.02 0.00 0.21 0.00 0.00 52.86 55.39 1pdk s ASN 185 Cb -0.11 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 1pdk s ASN 185 CO 0.50 0.10 -0.11 -0.31 -2.79 0.00 0.00 177.10 174.49 1pdk s TYR 186 N -0.75 1.50 0.17 0.43 1.51 -1.26 -5.00 117.35 113.95 1pdk s TYR 186 Ca 0.40 -0.61 -0.15 0.00 -1.01 0.00 0.00 57.07 55.70 1pdk s TYR 186 Cb -0.24 -1.13 0.14 0.00 -0.11 0.00 0.00 41.96 40.61 1pdk s TYR 186 CO 0.29 -0.35 1.72 -0.97 -1.11 0.00 0.00 175.55 175.13 1pdk h ASN 187 N 7.28 -0.01 -4.11 2.29 -1.24 -1.95 -3.31 115.58 114.54 1pdk h ASN 187 Ca -0.31 0.08 -0.63 0.00 0.71 0.00 0.00 56.30 56.14 1pdk h ASN 187 Cb 1.17 0.11 -0.41 0.00 0.73 0.00 0.00 38.32 39.93 1pdk h ASN 187 CO 0.46 0.03 -0.66 0.42 -1.29 0.00 0.00 177.43 176.39 1pdk s THR 188 N -6.16 2.27 0.24 -3.57 -4.23 -1.26 -4.58 115.64 98.35 1pdk s THR 188 Ca -0.13 -3.03 -0.31 0.00 -1.18 0.00 0.00 61.69 57.04 1pdk s THR 188 Cb 0.14 -2.59 -0.14 0.00 1.34 0.00 0.00 72.50 71.25 1pdk s THR 188 CO 0.72 -0.80 1.31 -2.65 -0.54 0.00 0.00 174.62 172.65 1pdk n PRO 189 N 3.34 1.78 -4.10 3.99 -0.02 -1.25 -4.48 135.00 134.27 1pdk n PRO 189 Ca 0.05 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 1pdk n PRO 189 Cb 0.34 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1pdk n PRO 189 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pdk s TYR 190 N -0.26 2.28 -0.07 6.00 1.51 0.39 0.47 117.35 127.67 1pdk s TYR 190 Ca 0.67 -1.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1pdk s TYR 190 Cb -0.69 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 1pdk s TYR 190 CO 0.52 -0.68 -0.22 -1.17 -1.11 0.00 0.00 175.55 172.90 1pdk s LEU 191 N 1.38 2.27 -0.09 -1.29 0.20 0.42 0.40 118.68 121.98 1pdk s LEU 191 Ca 0.04 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.42 1pdk s LEU 191 Cb -0.13 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.16 1pdk s LEU 191 CO -0.10 0.25 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.61 1pdk s SER 192 N -0.19 4.76 0.30 3.68 0.15 0.20 0.17 113.70 122.77 1pdk s SER 192 Ca -0.02 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1pdk s SER 192 Cb -0.13 -1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.81 1pdk s SER 192 CO 0.03 0.33 0.20 -0.72 1.20 0.00 0.00 173.24 174.28 1pdk s TYR 193 N -0.60 1.60 -0.14 3.44 -0.85 -0.77 -0.66 117.35 119.37 1pdk s TYR 193 Ca 0.09 -1.49 -0.00 0.00 -0.52 0.00 0.00 57.07 55.15 1pdk s TYR 193 Cb -0.12 -0.77 -0.01 0.00 0.38 0.00 0.00 41.96 41.45 1pdk s TYR 193 CO 0.02 -0.67 -0.13 0.42 -1.52 0.00 0.00 175.55 173.67 1pdk s ILE 194 N -3.61 3.01 0.62 -3.49 1.01 -0.81 -3.12 121.20 114.80 1pdk s ILE 194 Ca 0.37 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1pdk s ILE 194 Cb 0.04 -2.27 0.10 0.00 0.01 0.00 0.00 42.46 40.34 1pdk s ILE 194 CO 0.21 0.51 0.85 0.54 0.00 0.00 0.00 174.94 177.05 1pdk s ASN 195 N 0.53 4.87 0.45 3.58 2.20 -0.27 -4.51 114.94 121.79 1pdk s ASN 195 Ca -0.08 -0.71 0.32 0.00 -0.94 0.00 0.00 52.86 51.45 1pdk s ASN 195 Cb -0.16 0.21 1.44 0.00 -2.00 0.00 0.00 41.25 40.74 1pdk s ASN 195 CO 0.04 -1.50 1.64 0.44 -2.94 0.00 0.00 177.10 174.78 1pdk h ASP 196 N -0.03 0.22 -0.34 3.54 5.19 -1.99 0.11 116.42 123.11 1pdk h ASP 196 Ca -0.32 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1pdk h ASP 196 Cb 1.28 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1pdk h ASP 196 CO 0.40 -0.12 0.00 -1.22 -3.12 0.00 0.00 179.24 175.18 1pdk n TYR 197 N -4.57 0.44 -0.37 4.55 4.02 -1.26 -4.79 117.16 115.18 1pdk n TYR 197 Ca 0.36 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1pdk n TYR 197 Cb 1.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.75 1pdk n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pdk n GLY 198 N 1.47 0.96 3.77 2.72 0.00 0.03 -4.86 105.19 109.28 1pdk n GLY 198 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1pdk n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pdk s GLY 199 N -1.64 2.85 -0.71 -0.02 0.00 -1.26 -4.76 107.32 101.78 1pdk s GLY 199 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 44.72 45.79 1pdk s GLY 199 CO 0.00 1.53 0.77 0.54 0.00 0.00 0.00 173.10 175.94 1pdk n ARG 200 N -0.18 2.58 -1.23 2.90 1.74 -1.26 -1.12 116.66 120.09 1pdk n ARG 200 Ca 0.06 -4.62 -0.30 0.00 -0.77 0.00 0.00 57.85 52.22 1pdk n ARG 200 Cb 0.46 -2.30 0.12 0.00 -1.02 0.00 0.00 32.46 29.73 1pdk n ARG 200 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1pdk s PRO 201 N -2.23 1.63 -0.02 5.56 0.02 -1.18 -4.74 135.00 134.04 1pdk s PRO 201 Ca 0.35 0.95 0.06 0.00 0.02 0.00 0.00 61.00 62.38 1pdk s PRO 201 Cb 0.09 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 1pdk s PRO 201 CO -0.04 -2.02 -0.20 0.08 -0.33 0.00 0.00 177.00 174.50 1pdk s VAL 202 N -2.92 1.54 -0.07 3.83 1.01 -1.26 -1.85 120.40 120.68 1pdk s VAL 202 Ca 0.63 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1pdk s VAL 202 Cb -0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1pdk s VAL 202 CO 0.57 0.44 -0.05 -0.76 0.00 0.00 0.00 175.10 175.30 1pdk s LEU 203 N -0.43 3.30 -0.20 3.92 1.02 0.44 -4.90 118.68 121.83 1pdk s LEU 203 Ca 0.07 0.03 -0.13 0.00 0.02 0.00 0.00 54.13 54.12 1pdk s LEU 203 Cb -0.08 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 1pdk s LEU 203 CO -0.01 0.36 0.25 -0.55 0.02 0.00 0.00 176.35 176.43 1pdk s SER 204 N -0.87 6.29 0.12 2.29 0.15 -1.26 -0.44 113.70 119.98 1pdk s SER 204 Ca 0.13 0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.18 1pdk s SER 204 Cb -0.11 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1pdk s SER 204 CO 0.02 0.05 -0.07 -0.36 1.20 0.00 0.00 173.24 174.08 1pdk s PHE 205 N 0.87 2.78 -0.13 3.44 0.40 0.18 -2.54 117.98 122.98 1pdk s PHE 205 Ca 0.13 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1pdk s PHE 205 Cb -0.13 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 41.99 1pdk s PHE 205 CO 0.04 0.46 -0.19 -1.50 0.70 0.00 0.00 175.22 174.73 1pdk s ILE 206 N -1.36 1.78 -0.24 0.64 -1.16 0.10 -3.89 121.20 117.07 1pdk s ILE 206 Ca 0.23 -0.81 -0.11 0.00 -0.51 0.00 0.00 60.65 59.45 1pdk s ILE 206 Cb -0.11 -1.60 -0.05 0.00 0.61 0.00 0.00 42.46 41.31 1pdk s ILE 206 CO 0.15 0.50 0.18 0.00 -2.81 0.00 0.00 174.94 172.96 1pdk s ASN 208 N 1.17 6.99 0.86 0.00 3.04 -0.22 -4.88 114.94 121.89 1pdk s ASN 208 Ca 0.08 -3.04 0.00 0.00 0.04 0.00 0.00 52.86 49.94 1pdk s ASN 208 Cb -0.14 -2.22 0.00 0.00 -1.54 0.00 0.00 41.25 37.35 1pdk s ASN 208 CO 0.06 -0.48 0.00 0.61 -3.04 0.00 0.00 177.10 174.25 1pdk n GLY 209 N 3.51 1.82 0.55 1.21 0.00 -1.26 -3.15 105.19 107.86 1pdk n GLY 209 Ca 0.18 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1pdk n GLY 209 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pdk n SER 210 N 8.17 2.08 -4.35 1.61 3.41 -1.26 -4.89 113.62 118.39 1pdk n SER 210 Ca 0.00 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.68 1pdk n SER 210 Cb 0.00 0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 1pdk n SER 210 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1pdk s ARG 211 N -1.68 2.95 0.01 4.33 3.52 -1.19 -0.40 118.95 126.50 1pdk s ARG 211 Ca 0.17 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1pdk s ARG 211 Cb 0.14 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1pdk s ARG 211 CO 0.31 -0.56 0.07 0.00 -0.81 0.00 0.00 175.30 174.31 1pdk s SER 213 N -1.85 0.39 0.22 0.00 1.04 -0.53 -2.22 113.70 110.75 1pdk s SER 213 Ca 0.24 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.40 1pdk s SER 213 Cb -0.12 0.24 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 1pdk s SER 213 CO 0.15 -0.65 1.23 -0.69 0.98 0.00 0.00 173.24 174.26 1pdk s VAL 214 N -3.93 3.37 -2.37 5.02 1.01 -1.26 0.00 120.40 122.25 1pdk s VAL 214 Ca 0.09 1.20 0.29 0.00 0.00 0.00 0.00 61.98 63.56 1pdk s VAL 214 Cb 0.07 -3.76 0.64 0.00 0.00 0.00 0.00 36.38 33.33 1pdk s VAL 214 CO -0.08 0.21 1.87 2.29 0.00 0.00 0.00 175.10 179.39