#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkd n MET 1 N 0.00 1.49 0.27 1.43 0.00 -1.26 -4.20 117.12 114.84 1pkd n MET 1 Ca 0.00 -0.73 0.15 0.00 0.00 0.00 0.00 57.70 57.12 1pkd n MET 1 Cb 0.00 -1.42 0.69 0.00 0.00 0.00 0.00 33.22 32.49 1pkd n MET 1 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1pkd h GLU 2 N 1.61 0.00 -0.01 0.03 4.22 -2.05 -2.21 114.58 116.17 1pkd h GLU 2 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pkd h GLU 2 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1pkd h GLU 2 CO 0.00 0.09 -0.10 0.09 -2.18 0.00 0.00 179.01 176.91 1pkd n ASN 3 N -3.30 0.97 -4.70 1.04 3.02 -1.26 -4.87 115.26 106.16 1pkd n ASN 3 Ca -0.00 -1.06 -0.32 0.00 -0.03 0.00 0.00 54.58 53.16 1pkd n ASN 3 Cb 0.30 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.40 1pkd n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pkd s PHE 4 N -2.25 3.09 -0.26 3.10 0.08 -0.83 0.03 117.98 120.94 1pkd s PHE 4 Ca 0.33 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 1pkd s PHE 4 Cb 0.20 -1.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.08 1pkd s PHE 4 CO 0.42 0.48 0.05 -1.14 -0.10 0.00 0.00 175.22 174.93 1pkd s GLN 5 N -1.77 0.86 0.20 0.44 2.00 -0.20 -4.93 119.66 116.26 1pkd s GLN 5 Ca 0.22 -0.83 -0.31 0.00 -2.00 0.00 0.00 55.36 52.43 1pkd s GLN 5 Cb -0.12 -2.15 -0.11 0.00 0.80 0.00 0.00 33.01 31.44 1pkd s GLN 5 CO 0.13 -0.79 1.59 0.15 -0.50 0.00 0.00 175.29 175.86 1pkd s LYS 6 N 1.66 4.19 -0.27 1.67 1.02 -1.26 -1.60 119.74 125.15 1pkd s LYS 6 Ca 0.03 2.43 -0.14 0.00 0.02 0.00 0.00 55.97 58.31 1pkd s LYS 6 Cb -0.17 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.89 1pkd s LYS 6 CO -0.15 -0.61 -0.30 0.28 -0.92 0.00 0.00 175.35 173.64 1pkd n VAL 7 N 3.53 1.53 -3.55 3.17 0.31 0.60 -4.94 118.33 118.97 1pkd n VAL 7 Ca 0.13 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1pkd n VAL 7 Cb 0.38 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 1pkd n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1pkd s GLU 8 N -2.50 0.73 0.39 5.55 -1.05 -1.12 -5.01 118.70 115.69 1pkd s GLU 8 Ca -0.38 0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.23 1pkd s GLU 8 Cb 0.14 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 34.08 1pkd s GLU 8 CO 0.51 -0.25 1.31 0.21 0.95 0.00 0.00 175.26 177.99 1pkd s LYS 9 N -1.62 4.04 0.00 -4.83 2.36 -1.26 -0.77 119.74 117.66 1pkd s LYS 9 Ca -0.02 2.19 0.00 0.00 -2.55 0.00 0.00 55.97 55.60 1pkd s LYS 9 Cb -0.01 -2.83 0.00 0.00 -1.05 0.00 0.00 37.83 33.95 1pkd s LYS 9 CO 0.00 -0.44 0.00 1.51 1.55 0.00 0.00 175.35 177.97 1pkd n ILE 10 N 0.27 0.00 -1.34 5.43 3.06 0.60 -4.80 119.36 122.58 1pkd n ILE 10 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1pkd n ILE 10 Cb 0.43 0.20 0.00 0.00 0.54 0.00 0.00 39.64 40.81 1pkd n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1pkd n GLY 11 N 1.48 -1.51 3.60 4.50 0.00 -0.99 -5.00 105.19 107.27 1pkd n GLY 11 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1pkd n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pkd s GLU 12 N -1.45 0.80 0.00 1.61 2.12 -1.26 -1.42 118.70 119.10 1pkd s GLU 12 Ca 0.00 0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1pkd s GLU 12 Cb 0.00 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1pkd s GLU 12 CO 0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1pkd n GLY 13 N 1.95 3.89 0.13 -1.50 0.00 0.30 -4.97 105.19 104.99 1pkd n GLY 13 Ca -0.15 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 1pkd n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pkd n THR 14 N 0.00 1.64 -0.10 2.61 -1.04 -1.26 -4.60 114.28 111.53 1pkd n THR 14 Ca 0.00 -0.67 -0.15 0.00 -2.04 0.00 0.00 64.05 61.19 1pkd n THR 14 Cb 0.00 -1.45 -0.08 0.00 -1.82 0.00 0.00 70.33 66.98 1pkd n THR 14 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1pkd n TYR 15 N -3.30 0.00 -3.68 -1.42 4.01 -1.26 -5.05 117.16 106.46 1pkd n TYR 15 Ca -0.34 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.07 1pkd n TYR 15 Cb 1.04 -0.72 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 1pkd n TYR 15 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pkd s GLY 16 N -5.69 2.27 -0.12 2.72 0.00 -1.25 -3.55 107.32 101.71 1pkd s GLY 16 Ca -0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 1pkd s GLY 16 CO 0.41 -0.37 -0.06 0.14 0.00 0.00 0.00 173.10 173.21 1pkd s VAL 17 N -1.46 3.71 -0.21 1.40 1.01 -0.28 0.11 120.40 124.69 1pkd s VAL 17 Ca 0.34 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1pkd s VAL 17 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1pkd s VAL 17 CO 0.20 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 175.18 1pkd s VAL 18 N -0.13 4.15 0.01 2.92 1.01 -0.51 -0.36 120.40 127.49 1pkd s VAL 18 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1pkd s VAL 18 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1pkd s VAL 18 CO 0.03 0.42 -0.13 -0.31 0.00 0.00 0.00 175.10 175.11 1pkd s TYR 19 N 0.99 2.72 0.10 5.22 1.51 -0.06 -0.29 117.35 127.54 1pkd s TYR 19 Ca 0.02 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1pkd s TYR 19 Cb -0.14 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1pkd s TYR 19 CO 0.02 0.29 1.20 0.21 -1.11 0.00 0.00 175.55 176.16 1pkd s LYS 20 N -1.30 4.45 0.19 -0.62 2.20 0.05 -0.67 119.74 124.04 1pkd s LYS 20 Ca 0.15 1.81 -0.06 0.00 -0.36 0.00 0.00 55.97 57.51 1pkd s LYS 20 Cb -0.11 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1pkd s LYS 20 CO 0.05 -0.20 0.23 0.00 -0.36 0.00 0.00 175.35 175.07 1pkd s ALA 21 N 0.68 0.51 -0.01 3.13 0.00 -0.30 -0.29 121.76 125.47 1pkd s ALA 21 Ca 0.57 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1pkd s ALA 21 Cb -0.31 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1pkd s ALA 21 CO 0.31 -0.64 -0.10 -0.98 0.00 0.00 0.00 175.76 174.36 1pkd s ARG 22 N -4.06 0.84 -0.36 0.00 1.70 -0.62 -0.75 118.95 115.70 1pkd s ARG 22 Ca 0.27 -0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1pkd s ARG 22 Cb 0.05 -0.81 0.02 0.00 -0.57 0.00 0.00 34.95 33.63 1pkd s ARG 22 CO 0.06 0.20 1.07 1.21 -1.08 0.00 0.00 175.30 176.77 1pkd s ASN 23 N -0.17 6.84 0.47 -2.89 3.84 0.15 -1.03 114.94 122.15 1pkd s ASN 23 Ca 0.03 0.87 0.22 0.00 0.21 0.00 0.00 52.86 54.18 1pkd s ASN 23 Cb -0.05 -2.54 1.18 0.00 -0.55 0.00 0.00 41.25 39.30 1pkd s ASN 23 CO -0.00 -0.96 1.99 0.11 -2.79 0.00 0.00 177.10 175.44 1pkd h LYS 24 N 8.39 0.00 0.11 0.43 1.57 -0.72 0.54 116.57 126.89 1pkd h LYS 24 Ca -0.21 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.21 1pkd h LYS 24 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1pkd h LYS 24 CO 1.05 0.19 -1.98 1.28 -0.57 0.00 0.00 179.45 179.42 1pkd n LEU 25 N -3.84 2.60 0.03 2.94 4.77 -1.26 -4.39 117.00 117.85 1pkd n LEU 25 Ca -0.02 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1pkd n LEU 25 Cb 0.29 -1.10 -0.08 0.00 -2.33 0.00 0.00 43.42 40.20 1pkd n LEU 25 CO 0.33 0.81 -0.36 0.35 -1.33 0.00 0.00 177.39 177.20 1pkd n THR 26 N -3.55 0.21 -0.33 -5.08 -2.24 -1.21 -4.97 114.28 97.10 1pkd n THR 26 Ca -0.33 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1pkd n THR 26 Cb 1.01 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1pkd n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkd n GLY 27 N 1.27 1.89 3.73 3.38 0.00 0.19 -5.00 105.19 110.64 1pkd n GLY 27 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1pkd n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pkd s GLU 28 N -0.16 4.22 0.02 1.61 2.12 -1.24 -4.54 118.70 120.72 1pkd s GLU 28 Ca 0.00 2.37 -0.25 0.00 0.36 0.00 0.00 54.97 57.45 1pkd s GLU 28 Cb 0.00 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1pkd s GLU 28 CO 0.00 -0.57 0.77 0.08 -0.54 0.00 0.00 175.26 174.99 1pkd s VAL 29 N 0.85 4.81 0.18 3.70 1.01 -1.26 0.33 120.40 130.01 1pkd s VAL 29 Ca 0.68 1.62 0.01 0.00 0.00 0.00 0.00 61.98 64.28 1pkd s VAL 29 Cb -0.44 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1pkd s VAL 29 CO 0.35 0.33 0.04 0.68 0.00 0.00 0.00 175.10 176.49 1pkd s VAL 30 N 0.19 0.49 -0.19 2.92 -7.23 0.07 -3.97 120.40 112.68 1pkd s VAL 30 Ca 0.39 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1pkd s VAL 30 Cb -0.20 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1pkd s VAL 30 CO 0.22 -0.37 -0.01 0.00 -0.31 0.00 0.00 175.10 174.63 1pkd s ALA 31 N -3.79 3.01 -0.26 1.32 0.00 0.65 -1.15 121.76 121.54 1pkd s ALA 31 Ca 0.27 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1pkd s ALA 31 Cb 0.07 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1pkd s ALA 31 CO 0.06 -0.06 0.06 -0.51 0.00 0.00 0.00 175.76 175.30 1pkd s LEU 32 N 0.85 3.51 -0.43 0.00 1.43 0.15 0.07 118.68 124.27 1pkd s LEU 32 Ca 0.00 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 1pkd s LEU 32 Cb -0.14 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.23 1pkd s LEU 32 CO 0.02 -0.09 0.32 -0.75 0.23 0.00 0.00 176.35 176.07 1pkd s LYS 33 N 1.56 2.94 -0.30 1.70 2.20 0.01 -0.89 119.74 126.96 1pkd s LYS 33 Ca 0.05 -1.14 -0.25 0.00 -0.36 0.00 0.00 55.97 54.27 1pkd s LYS 33 Cb -0.16 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.17 1pkd s LYS 33 CO 0.02 -0.83 0.88 0.21 -0.36 0.00 0.00 175.35 175.27 1pkd s LYS 34 N 1.65 4.02 -0.23 4.03 2.36 0.51 -1.23 119.74 130.85 1pkd s LYS 34 Ca 0.04 0.78 -0.06 0.00 -2.55 0.00 0.00 55.97 54.18 1pkd s LYS 34 Cb -0.21 -3.72 -0.02 0.00 -1.05 0.00 0.00 37.83 32.83 1pkd s LYS 34 CO 0.08 -0.72 0.04 0.42 1.55 0.00 0.00 175.35 176.72 1pkd s ILE 35 N 3.15 4.09 0.14 5.43 1.01 0.11 -1.12 121.20 134.00 1pkd s ILE 35 Ca 0.37 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1pkd s ILE 35 Cb -0.14 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 1pkd s ILE 35 CO 0.12 0.38 1.02 -0.13 0.00 0.00 0.00 174.94 176.33 1pkd s ARG 36 N 1.42 4.66 -0.04 2.79 0.52 -1.23 -1.99 118.95 125.08 1pkd s ARG 36 Ca 0.05 1.56 0.06 0.00 -0.52 0.00 0.00 55.73 56.88 1pkd s ARG 36 Cb -0.15 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 1pkd s ARG 36 CO 0.02 0.16 -0.21 -0.51 0.02 0.00 0.00 175.30 174.78 1pkd s LEU 37 N -0.16 2.32 -0.15 2.53 1.43 -1.08 -4.92 118.68 118.65 1pkd s LEU 37 Ca 0.48 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1pkd s LEU 37 Cb -0.26 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1pkd s LEU 37 CO 0.32 0.32 -0.17 1.51 0.23 0.00 0.00 176.35 178.56 1pkd s ASP 38 N -0.57 2.80 0.06 2.29 1.47 -1.26 -4.84 116.67 116.61 1pkd s ASP 38 Ca 0.08 -0.53 -0.18 0.00 1.18 0.00 0.00 52.55 53.10 1pkd s ASP 38 Cb -0.11 -1.27 -0.13 0.00 -0.34 0.00 0.00 42.92 41.07 1pkd s ASP 38 CO 0.00 -0.01 1.35 0.74 0.68 0.00 0.00 175.17 177.94 1pkd h THR 39 N 5.98 1.34 -0.64 2.11 2.02 -1.91 -2.97 112.91 118.83 1pkd h THR 39 Ca -0.38 -1.40 -0.37 0.00 0.77 0.00 0.00 66.41 65.03 1pkd h THR 39 Cb 1.15 1.82 -0.14 0.00 -1.74 0.00 0.00 68.15 69.24 1pkd h THR 39 CO 0.55 0.42 0.34 -0.62 0.37 0.00 0.00 175.52 176.58 1pkd n GLU 40 N -4.44 2.01 0.00 6.66 -0.58 -1.26 -4.63 120.64 118.40 1pkd n GLU 40 Ca -0.06 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 54.93 1pkd n GLU 40 Cb 0.41 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1pkd n GLU 40 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1pkd n THR 41 N 0.72 0.00 0.00 2.62 -1.04 -1.25 -5.07 114.28 110.27 1pkd n THR 41 Ca 0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1pkd n THR 41 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1pkd n THR 41 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pkd n GLU 42 N 0.00 4.10 0.00 -2.82 2.13 -1.26 -5.13 120.64 117.67 1pkd n GLU 42 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pkd n GLU 42 Cb 0.00 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.10 1pkd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pkd n GLY 43 N 1.32 0.85 3.66 8.31 0.00 -1.12 -4.83 105.19 113.38 1pkd n GLY 43 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1pkd n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkd s VAL 44 N 0.00 4.41 0.33 1.61 1.01 -1.26 -4.22 120.40 122.28 1pkd s VAL 44 Ca 0.00 1.71 -0.27 0.00 0.00 0.00 0.00 61.98 63.41 1pkd s VAL 44 Cb 0.00 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1pkd s VAL 44 CO 0.00 -0.14 1.14 -2.65 0.00 0.00 0.00 175.10 173.46 1pkd n PRO 45 N 6.38 1.72 0.15 2.72 -0.02 -1.26 -4.81 135.00 139.88 1pkd n PRO 45 Ca 0.13 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 1pkd n PRO 45 Cb 0.45 -2.10 0.54 0.00 -0.02 0.00 0.00 33.50 32.37 1pkd n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pkd h SER 46 N 2.19 0.19 -0.89 2.55 4.64 -1.96 -1.57 113.55 118.70 1pkd h SER 46 Ca -0.43 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 1pkd h SER 46 Cb 1.31 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1pkd h SER 46 CO 0.61 0.16 0.48 0.71 -0.87 0.00 0.00 176.83 177.92 1pkd h THR 47 N 0.22 1.26 -0.07 2.95 1.35 -1.90 -0.58 112.91 116.14 1pkd h THR 47 Ca 0.06 -0.66 -0.17 0.00 -0.55 0.00 0.00 66.41 65.08 1pkd h THR 47 Cb 0.02 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.50 1pkd h THR 47 CO -0.01 0.30 -0.69 0.00 -0.25 0.00 0.00 175.52 174.86 1pkd h ALA 48 N 1.27 0.69 -0.66 6.62 0.00 -1.68 0.21 119.26 125.71 1pkd h ALA 48 Ca 0.31 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1pkd h ALA 48 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1pkd h ALA 48 CO -0.05 0.77 0.21 0.82 0.00 0.00 0.00 179.25 181.00 1pkd h ILE 49 N 0.22 1.25 -0.01 0.00 2.04 -0.62 -1.95 117.51 118.43 1pkd h ILE 49 Ca -0.02 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1pkd h ILE 49 Cb 1.25 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1pkd h ILE 49 CO 0.11 0.33 -0.09 0.03 0.00 0.00 0.00 178.15 178.53 1pkd h ARG 50 N 0.95 0.08 -0.44 2.37 3.08 -1.12 -2.69 114.38 116.62 1pkd h ARG 50 Ca 0.21 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.28 1pkd h ARG 50 Cb 0.29 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 1pkd h ARG 50 CO -0.01 0.79 -0.13 1.49 -1.07 0.00 0.00 179.97 181.04 1pkd h GLU 51 N -0.60 -0.03 0.71 0.04 4.81 -0.90 0.49 114.58 119.09 1pkd h GLU 51 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1pkd h GLU 51 Cb 0.82 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.21 1pkd h GLU 51 CO 0.02 -0.02 -0.34 0.82 -0.73 0.00 0.00 179.01 178.76 1pkd h ILE 52 N -0.03 0.01 -0.75 2.32 2.04 -1.45 0.84 117.51 120.49 1pkd h ILE 52 Ca 0.21 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1pkd h ILE 52 Cb 0.35 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1pkd h ILE 52 CO -0.47 0.00 0.49 0.77 0.00 0.00 0.00 178.15 178.95 1pkd h SER 53 N -1.25 0.74 -0.16 1.72 4.64 -1.43 -1.36 113.55 116.45 1pkd h SER 53 Ca -0.10 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 1pkd h SER 53 Cb 0.73 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1pkd h SER 53 CO 0.16 0.50 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.87 1pkd h LEU 54 N 0.86 0.87 -1.40 5.97 3.38 -0.92 -3.30 115.31 120.76 1pkd h LEU 54 Ca 0.31 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1pkd h LEU 54 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1pkd h LEU 54 CO -0.10 1.34 -0.25 0.25 0.09 0.00 0.00 178.44 179.77 1pkd h LEU 55 N 0.45 0.00 -0.34 1.67 5.85 -0.12 -2.33 115.31 120.48 1pkd h LEU 55 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1pkd h LEU 55 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pkd h LEU 55 CO 0.14 0.25 0.00 0.29 -0.34 0.00 0.00 178.44 178.78 1pkd n LYS 56 N -3.68 0.15 0.06 1.25 5.02 -0.58 -2.61 118.16 117.77 1pkd n LYS 56 Ca -0.01 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 1pkd n LYS 56 Cb 0.37 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1pkd n LYS 56 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pkd n GLU 57 N -2.01 0.56 -3.23 1.97 1.02 -0.88 -4.73 120.64 113.34 1pkd n GLU 57 Ca 0.04 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1pkd n GLU 57 Cb 0.27 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1pkd n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pkd n LEU 58 N -2.44 5.72 -4.50 -4.62 4.77 -1.07 -4.98 117.00 109.88 1pkd n LEU 58 Ca -0.01 -5.15 -0.40 0.00 -0.03 0.00 0.00 56.01 50.43 1pkd n LEU 58 Cb 0.53 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.20 1pkd n LEU 58 CO 0.41 1.55 -0.14 0.54 -1.33 0.00 0.00 177.39 178.43 1pkd s ASN 59 N -0.36 5.95 -0.25 -1.43 4.22 -1.26 -4.90 114.94 116.92 1pkd s ASN 59 Ca 0.31 -0.50 -0.25 0.00 -2.14 0.00 0.00 52.86 50.28 1pkd s ASN 59 Cb -0.02 -2.11 0.07 0.00 1.28 0.00 0.00 41.25 40.47 1pkd s ASN 59 CO 0.00 -0.25 0.71 -2.28 -2.04 0.00 0.00 177.10 173.24 1pkd s HIS 60 N 1.69 -0.77 -0.28 1.54 2.46 -1.26 -5.05 115.29 113.63 1pkd s HIS 60 Ca 0.06 1.84 0.21 0.00 0.47 0.00 0.00 55.06 57.63 1pkd s HIS 60 Cb -0.18 0.28 1.09 0.00 -0.13 0.00 0.00 32.58 33.64 1pkd s HIS 60 CO 0.09 -0.39 1.63 -0.35 -2.47 0.00 0.00 174.74 173.25 1pkd n PRO 61 N 2.54 0.14 -0.27 2.88 -0.04 -1.26 -1.96 135.00 137.03 1pkd n PRO 61 Ca -0.14 0.61 0.08 0.00 -0.04 0.00 0.00 63.50 64.00 1pkd n PRO 61 Cb 0.55 -1.92 0.18 0.00 -0.04 0.00 0.00 33.50 32.27 1pkd n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pkd n ASN 62 N -2.21 2.59 -4.04 3.54 4.13 -1.26 -4.88 115.26 113.13 1pkd n ASN 62 Ca -0.01 -3.23 -0.29 0.00 1.68 0.00 0.00 54.58 52.73 1pkd n ASN 62 Cb 0.05 -0.48 -0.17 0.00 -1.54 0.00 0.00 39.78 37.65 1pkd n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pkd s ILE 63 N -2.94 1.49 0.05 2.41 1.01 -0.83 -1.08 121.20 121.30 1pkd s ILE 63 Ca 0.36 -0.62 -0.33 0.00 0.00 0.00 0.00 60.65 60.06 1pkd s ILE 63 Cb 0.31 -1.37 -0.12 0.00 0.01 0.00 0.00 42.46 41.30 1pkd s ILE 63 CO 0.03 0.44 1.81 0.52 0.00 0.00 0.00 174.94 177.74 1pkd n VAL 64 N 4.35 0.40 -2.81 2.92 0.31 -0.48 -4.54 118.33 118.48 1pkd n VAL 64 Ca -0.18 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.66 1pkd n VAL 64 Cb 0.51 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 1pkd n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pkd s LYS 65 N 2.97 4.52 -0.40 5.55 2.20 -1.26 -4.93 119.74 128.40 1pkd s LYS 65 Ca 0.86 1.26 -0.27 0.00 -0.36 0.00 0.00 55.97 57.45 1pkd s LYS 65 Cb -0.59 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1pkd s LYS 65 CO 0.43 -0.02 1.01 -1.17 -0.36 0.00 0.00 175.35 175.24 1pkd s LEU 66 N 0.96 3.89 0.04 5.43 2.96 -1.26 -1.32 118.68 129.38 1pkd s LEU 66 Ca 0.48 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 1pkd s LEU 66 Cb -0.20 -3.39 -0.23 0.00 0.50 0.00 0.00 46.19 42.87 1pkd s LEU 66 CO 0.25 -0.98 0.98 -0.07 -1.32 0.00 0.00 176.35 175.20 1pkd h LEU 67 N 10.42 0.10 -7.00 -0.68 3.38 0.15 -3.48 115.31 118.20 1pkd h LEU 67 Ca -0.23 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.75 1pkd h LEU 67 Cb 1.07 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 1pkd h LEU 67 CO 1.04 1.11 0.66 -0.62 0.09 0.00 0.00 178.44 180.71 1pkd s ASP 68 N -6.58 -0.27 -0.17 -0.43 2.15 -1.06 -5.00 116.67 105.31 1pkd s ASP 68 Ca -0.03 0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.18 1pkd s ASP 68 Cb 0.09 0.24 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 1pkd s ASP 68 CO 0.83 -0.30 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.65 1pkd s VAL 69 N -1.52 1.96 -0.22 1.11 1.01 -1.26 -0.41 120.40 121.07 1pkd s VAL 69 Ca 0.03 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1pkd s VAL 69 Cb -0.01 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1pkd s VAL 69 CO -0.02 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 1pkd s ILE 70 N 1.31 4.42 0.62 2.22 1.01 0.22 -4.95 121.20 126.04 1pkd s ILE 70 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1pkd s ILE 70 Cb -0.13 -3.03 0.10 0.00 0.01 0.00 0.00 42.46 39.41 1pkd s ILE 70 CO -0.12 0.39 0.86 -1.00 0.00 0.00 0.00 174.94 175.07 1pkd s HIS 71 N 1.08 1.53 0.00 3.97 3.76 -1.26 -0.45 115.29 123.92 1pkd s HIS 71 Ca 0.04 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1pkd s HIS 71 Cb -0.14 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1pkd s HIS 71 CO 0.03 -1.34 0.00 2.41 -0.85 0.00 0.00 174.74 174.99 1pkd n THR 72 N -2.46 0.00 0.29 1.30 -1.04 -1.12 -4.92 114.28 106.34 1pkd n THR 72 Ca 0.15 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.33 1pkd n THR 72 Cb 0.61 0.00 0.64 0.00 -1.82 0.00 0.00 70.33 69.76 1pkd n THR 72 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pkd h GLU 73 N 0.00 0.00 0.01 -2.82 4.39 -2.02 -3.16 114.58 110.98 1pkd h GLU 73 Ca 0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 1pkd h GLU 73 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1pkd h GLU 73 CO 0.00 0.00 -2.37 0.27 -1.16 0.00 0.00 179.01 175.75 1pkd n ASN 74 N -3.01 1.22 -4.12 1.42 6.94 -1.26 -4.93 115.26 111.52 1pkd n ASN 74 Ca 0.01 -0.03 -0.10 0.00 -0.02 0.00 0.00 54.58 54.44 1pkd n ASN 74 Cb 0.31 0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.71 1pkd n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pkd s LYS 75 N -2.52 0.69 -0.13 -3.83 1.02 -1.20 -2.64 119.74 111.14 1pkd s LYS 75 Ca -0.23 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 54.57 1pkd s LYS 75 Cb 0.08 -0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1pkd s LYS 75 CO 0.71 -0.04 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.79 1pkd s LEU 76 N -2.74 1.61 -0.19 3.17 2.96 -0.84 -2.78 118.68 119.87 1pkd s LEU 76 Ca 0.06 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1pkd s LEU 76 Cb 0.04 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1pkd s LEU 76 CO -0.06 -0.05 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.54 1pkd s TYR 77 N 1.41 2.92 -0.20 5.38 2.02 0.41 0.05 117.35 129.35 1pkd s TYR 77 Ca 0.02 -0.82 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 1pkd s TYR 77 Cb -0.13 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1pkd s TYR 77 CO -0.08 -0.42 0.10 -0.51 -1.57 0.00 0.00 175.55 173.07 1pkd s LEU 78 N 1.07 3.95 -0.33 -1.29 1.43 -0.37 0.69 118.68 123.83 1pkd s LEU 78 Ca 0.01 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1pkd s LEU 78 Cb -0.15 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1pkd s LEU 78 CO -0.01 0.14 0.15 -0.69 0.23 0.00 0.00 176.35 176.18 1pkd s VAL 79 N 0.59 4.43 0.13 -1.59 1.01 0.45 -0.81 120.40 124.59 1pkd s VAL 79 Ca 0.05 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1pkd s VAL 79 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1pkd s VAL 79 CO 0.01 -0.05 -0.00 -0.36 0.00 0.00 0.00 175.10 174.70 1pkd s PHE 80 N 1.56 2.93 0.35 5.22 0.40 0.11 0.88 117.98 129.43 1pkd s PHE 80 Ca 0.03 -0.08 -0.27 0.00 -0.60 0.00 0.00 56.93 56.02 1pkd s PHE 80 Cb -0.18 -1.47 -0.12 0.00 0.51 0.00 0.00 43.02 41.76 1pkd s PHE 80 CO 0.05 0.49 1.07 -1.91 0.70 0.00 0.00 175.22 175.62 1pkd n GLU 81 N 0.28 1.52 -3.74 0.44 2.13 -0.43 -0.25 120.64 120.59 1pkd n GLU 81 Ca -0.10 0.54 -0.36 0.00 0.66 0.00 0.00 57.16 57.89 1pkd n GLU 81 Cb 0.53 -2.02 -0.07 0.00 0.27 0.00 0.00 31.44 30.15 1pkd n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1pkd s PHE 82 N -1.15 3.51 0.08 4.31 5.36 -1.25 -4.32 117.98 124.51 1pkd s PHE 82 Ca 0.60 0.50 0.07 0.00 -0.96 0.00 0.00 56.93 57.13 1pkd s PHE 82 Cb -0.62 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 1pkd s PHE 82 CO 0.59 0.48 -0.18 -0.51 -1.46 0.00 0.00 175.22 174.15 1pkd s LEU 83 N -0.27 2.26 0.03 6.12 1.02 -1.26 -4.99 118.68 121.59 1pkd s LEU 83 Ca 0.13 -0.61 -0.17 0.00 0.02 0.00 0.00 54.13 53.50 1pkd s LEU 83 Cb -0.12 -0.75 -0.26 0.00 0.02 0.00 0.00 46.19 45.08 1pkd s LEU 83 CO 0.02 0.03 1.10 0.45 0.02 0.00 0.00 176.35 177.98 1pkd h HIS 84 N 4.37 0.83 -4.39 0.29 3.86 -1.80 -3.47 115.15 114.85 1pkd h HIS 84 Ca -0.43 -0.49 -0.31 0.00 -1.16 0.00 0.00 60.37 57.98 1pkd h HIS 84 Cb 1.18 -0.08 -0.11 0.00 1.06 0.00 0.00 27.41 29.46 1pkd h HIS 84 CO 0.59 1.32 -0.34 1.14 0.86 0.00 0.00 177.93 181.51 1pkd s GLN 85 N -3.10 1.72 0.49 2.45 -2.07 -1.05 -5.02 119.66 113.09 1pkd s GLN 85 Ca -0.11 -1.77 0.02 0.00 -1.82 0.00 0.00 55.36 51.67 1pkd s GLN 85 Cb 0.05 0.38 0.02 0.00 -1.09 0.00 0.00 33.01 32.37 1pkd s GLN 85 CO 0.88 -0.67 0.70 0.16 -1.32 0.00 0.00 175.29 175.04 1pkd s ASP 86 N -3.25 5.55 0.18 12.60 1.47 -1.26 0.13 116.67 132.09 1pkd s ASP 86 Ca 0.34 0.06 -0.03 0.00 1.18 0.00 0.00 52.55 54.10 1pkd s ASP 86 Cb 0.02 -1.12 0.09 0.00 -0.34 0.00 0.00 42.92 41.57 1pkd s ASP 86 CO 0.20 -0.91 1.48 0.25 0.68 0.00 0.00 175.17 176.87 1pkd h LEU 87 N 0.28 0.62 -0.16 2.11 5.85 -0.17 -2.83 115.31 121.00 1pkd h LEU 87 Ca -0.44 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 1pkd h LEU 87 Cb 1.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1pkd h LEU 87 CO 0.54 1.06 0.10 0.50 -0.34 0.00 0.00 178.44 180.29 1pkd h LYS 88 N 0.41 0.21 -0.97 1.25 1.63 -1.83 -0.81 116.57 116.47 1pkd h LYS 88 Ca -0.00 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1pkd h LYS 88 Cb 1.14 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.67 1pkd h LYS 88 CO 0.11 0.18 0.64 -0.22 -3.45 0.00 0.00 179.45 176.72 1pkd h LYS 89 N 0.18 1.25 -0.83 1.90 3.64 -1.89 0.73 116.57 121.55 1pkd h LYS 89 Ca 0.06 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pkd h LYS 89 Cb 0.03 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 1pkd h LYS 89 CO -0.01 0.83 0.46 0.35 -2.27 0.00 0.00 179.45 178.81 1pkd h PHE 90 N 1.29 1.14 -0.43 1.91 3.57 -1.22 -2.21 116.94 120.99 1pkd h PHE 90 Ca 0.36 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 1pkd h PHE 90 Cb -0.11 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.25 1pkd h PHE 90 CO -0.00 0.79 -0.19 0.52 -2.23 0.00 0.00 178.31 177.20 1pkd h MET 91 N 1.15 0.88 0.00 1.11 2.86 -0.20 -1.03 114.93 119.71 1pkd h MET 91 Ca 0.29 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pkd h MET 91 Cb 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1pkd h MET 91 CO -0.05 1.02 -0.00 -0.44 1.06 0.00 0.00 176.91 178.50 1pkd h ASP 92 N 0.70 0.00 0.13 1.22 3.32 -0.75 -2.08 116.42 118.97 1pkd h ASP 92 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pkd h ASP 92 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1pkd h ASP 92 CO 0.06 0.00 -0.61 0.00 -1.72 0.00 0.00 179.24 176.97 1pkd n ALA 93 N -2.45 3.85 -0.40 3.45 0.00 -0.84 -3.64 120.51 120.48 1pkd n ALA 93 Ca -0.03 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 52.98 1pkd n ALA 93 Cb 0.09 -0.91 0.30 0.00 0.00 0.00 0.00 19.45 18.93 1pkd n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pkd n SER 94 N -0.87 3.93 0.00 0.00 7.64 -0.41 -4.72 113.62 119.20 1pkd n SER 94 Ca 0.07 -2.10 0.05 0.00 1.01 0.00 0.00 58.87 57.91 1pkd n SER 94 Cb 0.38 -0.46 0.24 0.00 -1.01 0.00 0.00 64.21 63.35 1pkd n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pkd n ALA 95 N 1.33 1.51 -0.13 -0.43 0.00 -0.84 0.30 120.51 122.27 1pkd n ALA 95 Ca 0.23 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 1pkd n ALA 95 Cb 0.64 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 1pkd n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkd n LEU 96 N -1.49 2.50 -0.10 0.00 4.77 -1.26 -4.70 117.00 116.72 1pkd n LEU 96 Ca 0.03 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 1pkd n LEU 96 Cb 0.13 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.40 1pkd n LEU 96 CO 0.10 0.87 -1.14 0.35 -1.33 0.00 0.00 177.39 176.25 1pkd n THR 97 N -3.18 1.27 0.00 -5.08 -2.24 -1.12 -5.12 114.28 98.81 1pkd n THR 97 Ca -0.44 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1pkd n THR 97 Cb 1.02 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1pkd n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkd n GLY 98 N 2.01 0.38 3.65 3.38 0.00 0.15 -4.94 105.19 109.82 1pkd n GLY 98 Ca -0.33 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1pkd n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkd s ILE 99 N -1.77 5.27 0.37 -0.61 1.01 -1.26 -4.92 121.20 119.30 1pkd s ILE 99 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.78 1pkd s ILE 99 Cb 0.00 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 1pkd s ILE 99 CO 0.00 0.28 1.42 -2.16 0.00 0.00 0.00 174.94 174.48 1pkd s PRO 100 N 1.38 4.14 0.32 2.79 0.04 -1.26 -4.80 135.00 137.61 1pkd s PRO 100 Ca 0.12 2.44 0.07 0.00 0.04 0.00 0.00 61.00 63.67 1pkd s PRO 100 Cb -0.15 -2.96 0.78 0.00 0.04 0.00 0.00 34.50 32.21 1pkd s PRO 100 CO 0.07 -0.45 1.80 1.25 0.04 0.00 0.00 177.00 179.71 1pkd h LEU 101 N 3.04 0.74 -0.97 -3.56 7.12 -1.99 -0.21 115.31 119.48 1pkd h LEU 101 Ca -0.50 0.08 0.09 0.00 0.13 0.00 0.00 57.88 57.68 1pkd h LEU 101 Cb 1.24 -0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 41.23 1pkd h LEU 101 CO 0.64 0.29 0.61 1.55 -0.13 0.00 0.00 178.44 181.40 1pkd h PRO 102 N 0.73 1.00 -0.26 5.25 0.13 -1.99 -1.44 132.00 135.42 1pkd h PRO 102 Ca 0.55 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 65.48 1pkd h PRO 102 Cb 0.89 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1pkd h PRO 102 CO -0.32 0.66 -0.36 1.25 -0.23 0.00 0.00 178.00 179.00 1pkd h LEU 103 N 1.03 0.77 -0.69 1.56 5.85 -1.40 -1.83 115.31 120.60 1pkd h LEU 103 Ca 0.46 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1pkd h LEU 103 Cb 0.34 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1pkd h LEU 103 CO -0.23 1.12 0.42 0.40 -0.34 0.00 0.00 178.44 179.82 1pkd h ILE 104 N 0.43 1.07 -0.51 4.05 2.04 -1.28 0.77 117.51 124.08 1pkd h ILE 104 Ca 0.03 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1pkd h ILE 104 Cb 0.95 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1pkd h ILE 104 CO 0.08 0.15 0.02 0.50 0.00 0.00 0.00 178.15 178.90 1pkd h LYS 105 N 0.82 0.89 -0.65 2.37 3.64 -1.23 -0.15 116.57 122.27 1pkd h LYS 105 Ca 0.28 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1pkd h LYS 105 Cb 0.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1pkd h LYS 105 CO -0.12 0.91 0.16 1.03 -2.27 0.00 0.00 179.45 179.17 1pkd h SER 106 N 0.77 0.97 -0.04 4.20 0.87 -0.99 -1.64 113.55 117.68 1pkd h SER 106 Ca 0.15 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1pkd h SER 106 Cb 0.50 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pkd h SER 106 CO 0.02 0.95 -0.05 1.88 -0.53 0.00 0.00 176.83 179.10 1pkd h TYR 107 N 0.95 0.13 -0.42 2.24 0.05 -0.67 -1.99 116.97 117.27 1pkd h TYR 107 Ca 0.20 -0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.02 1pkd h TYR 107 Cb 0.35 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.99 1pkd h TYR 107 CO 0.03 0.58 0.00 1.25 -1.05 0.00 0.00 178.16 178.97 1pkd h LEU 108 N -0.35 -0.17 -1.03 3.88 5.85 -1.03 -0.33 115.31 122.14 1pkd h LEU 108 Ca 0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1pkd h LEU 108 Cb 0.56 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1pkd h LEU 108 CO 0.01 -0.05 0.26 0.15 -0.34 0.00 0.00 178.44 178.47 1pkd h PHE 109 N 0.11 0.96 -0.27 1.25 3.57 -1.25 -0.22 116.94 121.09 1pkd h PHE 109 Ca 0.21 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1pkd h PHE 109 Cb 0.30 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1pkd h PHE 109 CO -0.28 0.74 -0.16 1.96 -2.23 0.00 0.00 178.31 178.34 1pkd h GLN 110 N 0.94 0.59 -0.62 1.11 4.20 -1.01 -2.56 115.11 117.76 1pkd h GLN 110 Ca 0.22 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pkd h GLN 110 Cb 0.18 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1pkd h GLN 110 CO -0.02 0.85 0.40 -0.07 -0.67 0.00 0.00 178.83 179.32 1pkd h LEU 111 N 0.32 0.71 -1.21 1.46 3.38 -0.75 -1.85 115.31 117.37 1pkd h LEU 111 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1pkd h LEU 111 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1pkd h LEU 111 CO 0.05 0.52 0.06 -0.07 0.09 0.00 0.00 178.44 179.09 1pkd h LEU 112 N 0.83 0.56 -0.08 1.67 3.38 -1.06 0.68 115.31 121.29 1pkd h LEU 112 Ca 0.22 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pkd h LEU 112 Cb -0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1pkd h LEU 112 CO -0.05 0.59 0.04 1.56 0.09 0.00 0.00 178.44 180.67 1pkd h GLN 113 N 0.58 0.12 -0.36 1.13 4.20 -1.03 0.54 115.11 120.30 1pkd h GLN 113 Ca 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1pkd h GLN 113 Cb 0.28 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1pkd h GLN 113 CO 0.00 0.22 0.19 0.78 -0.67 0.00 0.00 178.83 179.35 1pkd h GLY 114 N -0.00 0.54 1.07 3.46 0.00 -1.04 -1.44 103.07 105.65 1pkd h GLY 114 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1pkd h GLY 114 CO -0.00 0.24 0.38 -2.00 0.00 0.00 0.00 176.54 175.16 1pkd h LEU 115 N 0.45 1.09 -0.78 3.11 5.85 -0.86 -0.69 115.31 123.48 1pkd h LEU 115 Ca 0.13 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1pkd h LEU 115 Cb 0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1pkd h LEU 115 CO -0.02 0.93 -0.49 0.00 -0.34 0.00 0.00 178.44 178.52 1pkd h ALA 116 N 1.23 0.96 -0.15 1.25 0.00 -0.67 -1.95 119.26 119.94 1pkd h ALA 116 Ca 0.28 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pkd h ALA 116 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pkd h ALA 116 CO -0.03 0.65 0.07 0.35 0.00 0.00 0.00 179.25 180.29 1pkd h PHE 117 N 0.23 0.21 -0.13 0.00 3.57 -0.92 -1.77 116.94 118.14 1pkd h PHE 117 Ca 0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pkd h PHE 117 Cb 0.95 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1pkd h PHE 117 CO 0.02 0.25 -0.11 0.00 -2.23 0.00 0.00 178.31 176.24 1pkd h HIS 119 N -0.13 0.45 0.00 0.00 3.86 -1.33 -0.13 115.15 117.87 1pkd h HIS 119 Ca 0.09 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1pkd h HIS 119 Cb 0.26 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1pkd h HIS 119 CO -0.24 0.53 0.00 -1.13 0.86 0.00 0.00 177.93 177.95 1pkd n SER 120 N -4.23 0.00 -1.21 2.45 3.41 -0.67 -2.03 113.62 111.34 1pkd n SER 120 Ca 0.00 0.07 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1pkd n SER 120 Cb 0.30 -0.35 0.21 0.00 -0.26 0.00 0.00 64.21 64.10 1pkd n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pkd n HIS 121 N -1.35 1.22 -4.24 7.33 8.25 -0.48 -4.98 115.22 120.97 1pkd n HIS 121 Ca 0.11 -1.51 -0.34 0.00 -0.26 0.00 0.00 57.72 55.71 1pkd n HIS 121 Cb 0.26 -0.50 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 1pkd n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1pkd n ARG 122 N -1.04 -2.45 -5.19 -0.41 -4.01 -0.86 -4.96 116.66 97.74 1pkd n ARG 122 Ca 0.34 0.30 -0.32 0.00 -1.04 0.00 0.00 57.85 57.13 1pkd n ARG 122 Cb 1.07 -4.70 -0.17 0.00 -3.04 0.00 0.00 32.46 25.62 1pkd n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1pkd s VAL 123 N -3.58 2.02 -0.16 8.89 1.01 -0.18 -0.91 120.40 127.49 1pkd s VAL 123 Ca 0.50 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1pkd s VAL 123 Cb -0.28 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1pkd s VAL 123 CO 0.95 0.55 0.17 -0.76 0.00 0.00 0.00 175.10 176.01 1pkd s LEU 124 N 0.34 4.28 -0.11 3.92 1.43 -0.64 -3.61 118.68 124.29 1pkd s LEU 124 Ca -0.18 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1pkd s LEU 124 Cb -0.18 -2.15 -0.13 0.00 0.03 0.00 0.00 46.19 43.76 1pkd s LEU 124 CO 0.09 0.24 0.47 -0.74 0.23 0.00 0.00 176.35 176.63 1pkd h HIS 125 N 6.10 -0.05 -0.50 0.29 -0.00 -1.90 -1.81 115.15 117.28 1pkd h HIS 125 Ca -0.45 -0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.73 1pkd h HIS 125 Cb 1.18 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.54 1pkd h HIS 125 CO 0.64 0.42 -0.17 0.54 -0.00 0.00 0.00 177.93 179.36 1pkd n ARG 126 N -4.75 -0.62 -2.60 5.26 1.74 -1.26 -2.57 116.66 111.86 1pkd n ARG 126 Ca -0.05 0.77 -0.03 0.00 -0.77 0.00 0.00 57.85 57.77 1pkd n ARG 126 Cb 0.24 -4.66 0.11 0.00 -1.02 0.00 0.00 32.46 27.13 1pkd n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pkd n ASP 127 N 0.55 -1.49 -4.69 0.55 2.03 -1.26 -2.95 116.55 109.29 1pkd n ASP 127 Ca -0.09 -2.19 -0.42 0.00 0.52 0.00 0.00 54.79 52.61 1pkd n ASP 127 Cb 0.32 0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 41.44 1pkd n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pkd s LEU 128 N -3.52 4.30 -0.02 -2.67 1.43 -1.26 -4.79 118.68 112.15 1pkd s LEU 128 Ca 0.12 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 1pkd s LEU 128 Cb 0.39 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 43.15 1pkd s LEU 128 CO -0.11 -0.66 0.87 -1.59 0.23 0.00 0.00 176.35 175.09 1pkd s LYS 129 N 2.29 0.84 0.58 1.70 -2.85 -1.26 -4.85 119.74 116.19 1pkd s LYS 129 Ca 0.61 -0.20 0.33 0.00 -1.00 0.00 0.00 55.97 55.71 1pkd s LYS 129 Cb -0.29 0.39 1.77 0.00 -2.06 0.00 0.00 37.83 37.64 1pkd s LYS 129 CO 0.25 -0.34 2.18 -1.35 0.10 0.00 0.00 175.35 176.18 1pkd h PRO 130 N 2.16 0.00 0.00 1.78 0.11 -1.94 -1.28 132.00 132.84 1pkd h PRO 130 Ca -0.23 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 1pkd h PRO 130 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1pkd h PRO 130 CO 0.32 0.05 -0.32 1.96 -0.21 0.00 0.00 178.00 179.80 1pkd h GLN 131 N 0.00 0.00 -0.47 1.05 7.50 -1.95 -2.14 115.11 119.09 1pkd h GLN 131 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1pkd h GLN 131 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1pkd h GLN 131 CO 0.01 0.32 0.00 0.09 -1.50 0.00 0.00 178.83 177.75 1pkd n ASN 132 N -3.92 2.40 -4.12 1.46 3.02 -0.48 -4.73 115.26 108.88 1pkd n ASN 132 Ca -0.02 -2.10 -0.33 0.00 -0.03 0.00 0.00 54.58 52.10 1pkd n ASN 132 Cb 0.39 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 1pkd n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pkd s LEU 133 N -1.09 3.31 0.02 3.41 1.43 -1.07 -1.14 118.68 123.55 1pkd s LEU 133 Ca 0.27 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1pkd s LEU 133 Cb 0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1pkd s LEU 133 CO 0.16 -0.17 0.21 -0.76 0.23 0.00 0.00 176.35 176.03 1pkd s LEU 134 N 1.20 4.36 0.01 1.79 1.43 -0.24 -0.58 118.68 126.66 1pkd s LEU 134 Ca -0.04 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1pkd s LEU 134 Cb -0.18 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1pkd s LEU 134 CO -0.05 0.22 -0.17 0.27 0.23 0.00 0.00 176.35 176.86 1pkd s ILE 135 N -1.39 1.31 0.46 -0.59 -4.36 0.12 -0.40 121.20 116.36 1pkd s ILE 135 Ca 0.30 -0.85 0.04 0.00 -0.26 0.00 0.00 60.65 59.88 1pkd s ILE 135 Cb -0.13 -1.12 0.04 0.00 1.25 0.00 0.00 42.46 42.50 1pkd s ILE 135 CO 0.21 0.25 0.33 -0.46 0.24 0.00 0.00 174.94 175.52 1pkd n ASN 136 N 2.35 2.52 0.00 4.36 0.23 -0.90 -2.17 115.26 121.65 1pkd n ASN 136 Ca -0.16 -2.62 0.13 0.00 -0.53 0.00 0.00 54.58 51.41 1pkd n ASN 136 Cb 0.54 -0.02 0.71 0.00 -2.08 0.00 0.00 39.78 38.93 1pkd n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1pkd n THR 137 N -1.57 0.10 1.17 5.53 -2.24 -1.26 -2.85 114.28 113.16 1pkd n THR 137 Ca -0.03 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1pkd n THR 137 Cb 0.53 -0.58 0.28 0.00 -2.10 0.00 0.00 70.33 68.47 1pkd n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pkd n GLU 138 N -1.24 0.78 -0.41 -0.78 -0.58 -1.26 -4.78 120.64 112.36 1pkd n GLU 138 Ca 0.14 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 1pkd n GLU 138 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1pkd n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pkd n GLY 139 N 1.38 0.76 3.78 0.62 0.00 -1.13 -4.57 105.19 106.01 1pkd n GLY 139 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1pkd n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkd s ALA 140 N -2.35 2.96 0.01 4.61 0.00 -1.26 -4.91 121.76 120.81 1pkd s ALA 140 Ca 0.00 0.81 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1pkd s ALA 140 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1pkd s ALA 140 CO 0.00 -0.48 -0.17 -1.50 0.00 0.00 0.00 175.76 173.61 1pkd s ILE 141 N -1.66 1.31 0.02 0.00 2.07 -1.26 -2.13 121.20 119.55 1pkd s ILE 141 Ca 0.63 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 59.01 1pkd s ILE 141 Cb -0.24 -1.12 -0.01 0.00 0.13 0.00 0.00 42.46 41.21 1pkd s ILE 141 CO 0.30 0.26 0.02 -0.54 -1.91 0.00 0.00 174.94 173.06 1pkd s LYS 142 N -0.68 0.36 0.14 3.50 1.02 0.47 -4.66 119.74 119.89 1pkd s LYS 142 Ca 0.05 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 1pkd s LYS 142 Cb -0.07 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.31 1pkd s LYS 142 CO 0.00 -0.07 1.11 -0.51 -0.92 0.00 0.00 175.35 174.96 1pkd s LEU 143 N -1.47 4.45 0.29 3.17 1.43 -0.24 -1.08 118.68 125.23 1pkd s LEU 143 Ca -0.15 2.04 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 1pkd s LEU 143 Cb -0.09 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1pkd s LEU 143 CO -0.00 -0.28 0.11 0.00 0.23 0.00 0.00 176.35 176.41 1pkd s ALA 144 N 0.14 1.94 -0.35 4.21 0.00 -0.29 -1.38 121.76 126.04 1pkd s ALA 144 Ca 0.52 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 1pkd s ALA 144 Cb -0.29 1.02 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1pkd s ALA 144 CO 0.33 -0.45 0.37 -3.47 0.00 0.00 0.00 175.76 172.54 1pkd n ASP 145 N -0.68 -7.41 -1.62 0.00 -0.08 -1.26 -4.82 116.55 100.68 1pkd n ASP 145 Ca -0.00 0.67 -0.05 0.00 -1.51 0.00 0.00 54.79 53.90 1pkd n ASP 145 Cb 0.66 -4.31 0.20 0.00 2.34 0.00 0.00 41.12 40.01 1pkd n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1pkd n PHE 146 N 0.20 1.70 -0.24 -0.67 3.01 -1.26 -4.47 117.46 115.74 1pkd n PHE 146 Ca 0.04 -0.91 0.03 0.00 1.01 0.00 0.00 57.45 57.61 1pkd n PHE 146 Cb 0.37 -0.54 0.26 0.00 -0.01 0.00 0.00 39.48 39.57 1pkd n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1pkd h GLY 147 N 3.25 1.12 -1.64 1.37 0.00 -1.90 -2.77 103.07 102.50 1pkd h GLY 147 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1pkd h GLY 147 CO 0.52 0.33 0.00 1.04 0.00 0.00 0.00 176.54 178.43 1pkd n LEU 148 N -4.45 2.69 -4.70 3.11 4.32 -1.26 -4.69 117.00 112.02 1pkd n LEU 148 Ca 0.10 -1.04 -0.30 0.00 -0.02 0.00 0.00 56.01 54.76 1pkd n LEU 148 Cb 0.12 -0.11 0.15 0.00 -1.62 0.00 0.00 43.42 41.96 1pkd n LEU 148 CO 0.35 0.52 0.66 0.00 -1.22 0.00 0.00 177.39 177.70 1pkd s ALA 149 N -1.78 1.41 -0.02 -1.18 0.00 -1.04 -4.67 121.76 114.47 1pkd s ALA 149 Ca 0.34 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 1pkd s ALA 149 Cb 0.21 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1pkd s ALA 149 CO 0.30 -2.48 0.43 -0.98 0.00 0.00 0.00 175.76 173.04 1pkd s ARG 150 N -4.88 0.82 -0.09 0.00 1.70 -0.68 -4.89 118.95 110.92 1pkd s ARG 150 Ca 0.64 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.52 1pkd s ARG 150 Cb -0.19 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1pkd s ARG 150 CO 0.58 -0.25 1.18 0.00 -1.08 0.00 0.00 175.30 175.73 1pkd s ALA 151 N -1.44 3.52 0.30 7.88 0.00 -1.26 -1.63 121.76 129.14 1pkd s ALA 151 Ca -0.12 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.43 1pkd s ALA 151 Cb -0.03 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1pkd s ALA 151 CO 0.05 -0.83 0.44 -0.59 0.00 0.00 0.00 175.76 174.83 1pkd s PHE 152 N 2.47 3.32 0.36 0.00 -0.71 -0.08 -4.98 117.98 118.35 1pkd s PHE 152 Ca 0.54 -0.04 0.08 0.00 -1.04 0.00 0.00 56.93 56.47 1pkd s PHE 152 Cb -0.23 -1.80 -0.03 0.00 -1.21 0.00 0.00 43.02 39.75 1pkd s PHE 152 CO 0.19 0.19 0.26 0.20 -1.34 0.00 0.00 175.22 174.73 1pkd s GLY 153 N -4.07 1.94 -0.04 1.99 0.00 -1.26 -4.88 107.32 100.99 1pkd s GLY 153 Ca 0.39 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 1pkd s GLY 153 CO 0.31 -1.68 0.68 -2.08 0.00 0.00 0.00 173.10 170.34 1pkd h VAL 154 N 1.30 0.25 -2.76 1.40 2.07 -2.01 -2.62 116.25 113.89 1pkd h VAL 154 Ca -0.44 -0.76 -0.56 0.00 0.82 0.00 0.00 66.70 65.76 1pkd h VAL 154 Cb 1.26 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1pkd h VAL 154 CO 0.60 0.06 1.03 -2.84 0.02 0.00 0.00 177.57 176.44 1pkd s PRO 155 N -3.31 4.13 1.17 1.57 0.02 -1.26 -4.99 135.00 132.32 1pkd s PRO 155 Ca -0.09 1.89 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 1pkd s PRO 155 Cb 0.01 -3.91 0.28 0.00 0.02 0.00 0.00 34.50 30.90 1pkd s PRO 155 CO 0.30 -0.88 1.03 0.14 -0.33 0.00 0.00 177.00 177.26 1pkd s VAL 156 N 4.05 2.01 0.18 3.83 -7.23 -0.99 -5.08 120.40 117.18 1pkd s VAL 156 Ca 0.66 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1pkd s VAL 156 Cb -0.27 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 1pkd s VAL 156 CO 0.24 -0.00 0.00 -2.11 -0.31 0.00 0.00 175.10 172.91 1pkd n ARG 157 N -4.92 1.57 -1.92 4.82 1.85 -1.26 -4.98 116.66 111.81 1pkd n ARG 157 Ca 0.03 -1.30 -0.42 0.00 -1.00 0.00 0.00 57.85 55.16 1pkd n ARG 157 Cb 0.54 0.35 -0.03 0.00 -1.05 0.00 0.00 32.46 32.27 1pkd n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1pkd s THR 158 N -1.65 2.74 0.07 8.89 2.01 -1.26 -4.69 115.64 121.76 1pkd s THR 158 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1pkd s THR 158 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1pkd s THR 158 CO 0.00 0.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.73 1pkd n TYR 159 N 4.57 -0.15 0.00 4.92 4.01 -1.26 -5.11 117.16 124.14 1pkd n TYR 159 Ca 0.15 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1pkd n TYR 159 Cb 0.39 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1pkd n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1pkd n HIS 161 N -3.09 0.00 -1.99 -0.72 -0.00 -1.26 -5.05 115.22 103.11 1pkd n HIS 161 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1pkd n HIS 161 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1pkd n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pkd n GLU 162 N -1.24 2.30 -3.82 1.57 4.71 -1.26 -4.88 120.64 118.02 1pkd n GLU 162 Ca 0.00 -2.62 -0.13 0.00 -0.01 0.00 0.00 57.16 54.40 1pkd n GLU 162 Cb 0.20 -3.42 -0.14 0.00 -1.01 0.00 0.00 31.44 27.07 1pkd n GLU 162 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pkd s VAL 163 N 6.34 -0.02 0.02 2.62 1.01 -1.26 -5.06 120.40 124.06 1pkd s VAL 163 Ca 0.58 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1pkd s VAL 163 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1pkd s VAL 163 CO 0.08 0.03 0.00 0.52 0.00 0.00 0.00 175.10 175.73 1pkd n VAL 164 N 3.49 -1.26 -1.64 2.92 0.31 -1.15 -4.89 118.33 116.11 1pkd n VAL 164 Ca -0.18 0.15 -0.45 0.00 -0.01 0.00 0.00 64.34 63.85 1pkd n VAL 164 Cb 0.56 -0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1pkd n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pkd n THR 165 N -0.57 1.40 -0.31 2.52 -1.04 -1.26 -4.69 114.28 110.32 1pkd n THR 165 Ca 0.00 -0.35 0.03 0.00 -2.04 0.00 0.00 64.05 61.69 1pkd n THR 165 Cb 0.00 -1.27 0.10 0.00 -1.82 0.00 0.00 70.33 67.34 1pkd n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pkd h LEU 166 N 3.20 -0.93 -2.27 -4.42 5.85 -1.96 -1.18 115.31 113.59 1pkd h LEU 166 Ca -0.44 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1pkd h LEU 166 Cb 1.30 0.58 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1pkd h LEU 166 CO 0.68 -0.29 0.00 -0.50 -0.34 0.00 0.00 178.44 177.99 1pkd h TRP 167 N -0.01 0.00 -0.07 1.25 6.55 -1.89 -1.85 115.95 119.93 1pkd h TRP 167 Ca 0.40 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.24 1pkd h TRP 167 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.93 1pkd h TRP 167 CO -0.71 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 177.34 1pkd n TYR 168 N -2.98 0.10 -2.78 0.49 4.01 -0.48 -4.52 117.16 110.99 1pkd n TYR 168 Ca -0.01 -0.30 -0.41 0.00 -0.16 0.00 0.00 57.90 57.01 1pkd n TYR 168 Cb 0.15 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1pkd n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pkd s ARG 169 N -0.73 4.61 0.54 -0.72 3.52 -0.70 -3.85 118.95 121.61 1pkd s ARG 169 Ca 0.07 1.34 -0.17 0.00 -0.13 0.00 0.00 55.73 56.84 1pkd s ARG 169 Cb 0.04 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1pkd s ARG 169 CO 0.05 0.13 1.02 0.00 -0.81 0.00 0.00 175.30 175.69 1pkd s ALA 170 N 0.36 2.90 0.39 6.12 0.00 -1.26 -4.88 121.76 125.39 1pkd s ALA 170 Ca 0.47 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.85 1pkd s ALA 170 Cb -0.22 -3.19 0.81 0.00 0.00 0.00 0.00 23.12 20.52 1pkd s ALA 170 CO 0.27 -0.45 1.99 -1.00 0.00 0.00 0.00 175.76 176.57 1pkd h PRO 171 N 0.90 0.43 0.00 0.00 0.13 -1.96 -1.14 132.00 130.36 1pkd h PRO 171 Ca -0.47 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1pkd h PRO 171 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pkd h PRO 171 CO 0.59 0.38 -0.14 1.05 -0.23 0.00 0.00 178.00 179.66 1pkd h GLU 172 N 0.43 0.00 0.03 0.86 9.09 -1.93 0.54 114.58 123.60 1pkd h GLU 172 Ca 0.11 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.43 1pkd h GLU 172 Cb 0.13 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1pkd h GLU 172 CO -0.01 0.14 -0.35 0.82 0.05 0.00 0.00 179.01 179.67 1pkd h ILE 173 N 0.00 1.59 -0.99 -1.06 2.04 -1.62 -0.06 117.51 117.41 1pkd h ILE 173 Ca -0.00 -2.18 0.15 0.00 1.00 0.00 0.00 64.86 63.84 1pkd h ILE 173 Cb 0.27 2.99 -0.09 0.00 -0.74 0.00 0.00 36.82 39.25 1pkd h ILE 173 CO 0.02 0.60 0.62 -0.07 0.00 0.00 0.00 178.15 179.31 1pkd h LEU 174 N -0.55 0.83 -1.41 1.44 3.38 -0.81 0.33 115.31 118.51 1pkd h LEU 174 Ca -0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pkd h LEU 174 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pkd h LEU 174 CO 0.07 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1pkd n LEU 175 N -4.67 2.05 -3.86 1.67 4.77 0.19 -4.88 117.00 112.27 1pkd n LEU 175 Ca 0.21 -1.03 -0.28 0.00 -0.03 0.00 0.00 56.01 54.88 1pkd n LEU 175 Cb 0.47 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1pkd n LEU 175 CO 0.25 0.41 0.06 0.61 -1.33 0.00 0.00 177.39 177.40 1pkd n GLY 176 N 0.78 -0.44 3.65 -0.72 0.00 0.11 -2.18 105.19 106.38 1pkd n GLY 176 Ca 0.11 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1pkd n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkd h LYS 178 N 0.40 0.36 -3.98 0.00 3.64 -1.92 -3.43 116.57 111.64 1pkd h LYS 178 Ca -0.49 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 58.46 1pkd h LYS 178 Cb 1.36 -0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.78 1pkd h LYS 178 CO 0.51 0.36 -0.76 0.71 -2.27 0.00 0.00 179.45 178.00 1pkd s TYR 179 N -5.05 0.56 0.14 1.91 2.02 -1.26 -4.02 117.35 111.64 1pkd s TYR 179 Ca -0.07 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1pkd s TYR 179 Cb 0.16 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1pkd s TYR 179 CO 0.73 -0.14 -0.04 1.52 -1.57 0.00 0.00 175.55 176.06 1pkd s TYR 180 N 0.75 1.06 0.00 2.71 -0.85 -1.26 -5.01 117.35 114.75 1pkd s TYR 180 Ca -0.09 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 1pkd s TYR 180 Cb -0.12 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.62 1pkd s TYR 180 CO -0.00 -0.17 0.00 0.45 -1.52 0.00 0.00 175.55 174.31 1pkd n SER 181 N -0.14 0.00 0.26 -0.18 2.88 -1.26 -4.91 113.62 110.27 1pkd n SER 181 Ca -0.09 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.60 1pkd n SER 181 Cb 0.62 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.93 1pkd n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1pkd h THR 182 N 0.00 0.58 -0.21 2.46 1.35 -1.98 -2.11 112.91 112.99 1pkd h THR 182 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1pkd h THR 182 Cb 0.00 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1pkd h THR 182 CO 0.00 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 175.41 1pkd h ALA 183 N 1.93 1.97 -0.43 6.62 0.00 -1.93 -0.40 119.26 127.02 1pkd h ALA 183 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pkd h ALA 183 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pkd h ALA 183 CO -0.00 -0.00 0.29 -0.39 0.00 0.00 0.00 179.25 179.15 1pkd h VAL 184 N 0.18 1.04 -0.05 0.00 -1.51 -1.78 -0.91 116.25 113.22 1pkd h VAL 184 Ca 0.09 -0.16 -0.19 0.00 -1.23 0.00 0.00 66.70 65.21 1pkd h VAL 184 Cb 0.12 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1pkd h VAL 184 CO -0.02 0.09 -0.78 0.44 -1.23 0.00 0.00 177.57 176.07 1pkd h ASP 185 N 0.47 0.43 -0.56 4.19 3.32 -1.26 -2.93 116.42 120.08 1pkd h ASP 185 Ca 0.17 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 1pkd h ASP 185 Cb 0.12 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1pkd h ASP 185 CO -0.04 1.05 -0.05 0.40 -1.72 0.00 0.00 179.24 178.88 1pkd h ILE 186 N 0.23 1.27 -0.23 0.35 1.08 -1.35 -1.61 117.51 117.24 1pkd h ILE 186 Ca -0.04 -1.20 0.03 0.00 -0.39 0.00 0.00 64.86 63.26 1pkd h ILE 186 Cb 1.37 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 1pkd h ILE 186 CO 0.13 0.43 0.04 -0.25 -0.69 0.00 0.00 178.15 177.81 1pkd h TRP 187 N 0.93 0.07 -0.71 1.37 2.91 -1.15 0.08 115.95 119.45 1pkd h TRP 187 Ca 0.16 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.23 1pkd h TRP 187 Cb 0.61 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 1pkd h TRP 187 CO 0.04 0.02 0.44 0.77 -1.03 0.00 0.00 178.44 178.67 1pkd h SER 188 N 0.13 0.71 -0.27 2.65 0.02 -1.30 -1.94 113.55 113.55 1pkd h SER 188 Ca 0.11 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1pkd h SER 188 Cb 0.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1pkd h SER 188 CO -0.15 0.48 0.02 -0.07 -1.14 0.00 0.00 176.83 175.97 1pkd h LEU 189 N 0.84 0.53 0.25 5.07 3.38 -0.73 -0.57 115.31 124.08 1pkd h LEU 189 Ca 0.29 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1pkd h LEU 189 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1pkd h LEU 189 CO -0.12 0.59 -0.34 1.23 0.09 0.00 0.00 178.44 179.89 1pkd h GLY 190 N 0.85 -0.74 0.21 0.83 0.00 -0.27 0.67 103.07 104.62 1pkd h GLY 190 Ca 0.12 0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.94 1pkd h GLY 190 CO 0.01 -0.27 0.06 0.00 0.00 0.00 0.00 176.54 176.34 1pkd h ILE 192 N 0.18 1.24 0.03 0.00 2.04 -0.88 -0.38 117.51 119.75 1pkd h ILE 192 Ca 0.27 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1pkd h ILE 192 Cb 0.40 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1pkd h ILE 192 CO -0.40 0.27 -0.17 0.15 0.00 0.00 0.00 178.15 178.00 1pkd h PHE 193 N 1.10 -0.46 -0.65 1.37 3.57 0.22 0.78 116.94 122.88 1pkd h PHE 193 Ca 0.28 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.85 1pkd h PHE 193 Cb 0.06 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1pkd h PHE 193 CO 0.01 -0.25 0.34 0.00 -2.23 0.00 0.00 178.31 176.17 1pkd h ALA 194 N 0.59 0.86 -0.20 2.41 0.00 -0.61 -2.61 119.26 119.70 1pkd h ALA 194 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1pkd h ALA 194 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pkd h ALA 194 CO -0.14 -0.01 -0.34 1.49 0.00 0.00 0.00 179.25 180.25 1pkd h GLU 195 N 0.62 0.42 -0.34 0.00 4.81 -0.58 -1.36 114.58 118.16 1pkd h GLU 195 Ca 0.30 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1pkd h GLU 195 Cb 0.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1pkd h GLU 195 CO -0.20 0.71 0.22 0.52 -0.73 0.00 0.00 179.01 179.54 1pkd h MET 196 N 0.36 0.44 -0.10 1.92 2.86 -0.48 0.41 114.93 120.33 1pkd h MET 196 Ca 0.04 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1pkd h MET 196 Cb 0.78 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1pkd h MET 196 CO 0.06 0.29 -0.32 0.28 1.06 0.00 0.00 176.91 178.28 1pkd h VAL 197 N 0.45 1.40 0.00 -2.22 2.07 -1.02 -3.37 116.25 113.55 1pkd h VAL 197 Ca 0.12 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1pkd h VAL 197 Cb -0.05 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1pkd h VAL 197 CO -0.03 0.48 -1.31 0.35 0.02 0.00 0.00 177.57 177.09 1pkd n THR 198 N -4.41 0.00 -2.45 2.57 -2.24 -1.08 -4.83 114.28 101.84 1pkd n THR 198 Ca -0.08 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1pkd n THR 198 Cb 0.49 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1pkd n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pkd n ARG 199 N -1.76 -1.99 -3.84 -0.78 1.74 0.14 -5.01 116.66 105.15 1pkd n ARG 199 Ca -0.00 0.84 -0.12 0.00 -0.77 0.00 0.00 57.85 57.79 1pkd n ARG 199 Cb 0.34 -5.34 -0.12 0.00 -1.02 0.00 0.00 32.46 26.32 1pkd n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1pkd s ARG 200 N -5.01 0.19 0.32 5.56 1.70 -1.24 -5.04 118.95 115.43 1pkd s ARG 200 Ca 0.05 0.05 -0.27 0.00 -0.47 0.00 0.00 55.73 55.10 1pkd s ARG 200 Cb -0.02 0.09 -0.13 0.00 -0.57 0.00 0.00 34.95 34.31 1pkd s ARG 200 CO 0.07 -0.03 0.90 0.00 -1.08 0.00 0.00 175.30 175.16 1pkd n ALA 201 N 2.74 -0.56 -0.03 7.88 0.00 -1.26 -4.37 120.51 124.91 1pkd n ALA 201 Ca -0.14 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1pkd n ALA 201 Cb 0.58 -1.96 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 1pkd n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pkd h LEU 202 N 1.66 0.22 -6.73 0.00 5.85 -1.91 -3.40 115.31 111.00 1pkd h LEU 202 Ca -0.40 -0.72 -0.61 0.00 0.84 0.00 0.00 57.88 56.99 1pkd h LEU 202 Cb 1.36 -0.07 -0.41 0.00 0.37 0.00 0.00 40.66 41.91 1pkd h LEU 202 CO 0.58 0.92 -0.71 0.49 -0.34 0.00 0.00 178.44 179.38 1pkd n PHE 203 N -4.54 1.99 -1.72 1.25 3.72 -1.26 -5.01 117.46 111.89 1pkd n PHE 203 Ca -0.09 -3.99 -0.40 0.00 -0.05 0.00 0.00 57.45 52.92 1pkd n PHE 203 Cb 0.47 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1pkd n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pkd n PRO 204 N 2.03 3.72 -1.39 -1.08 -0.04 -1.26 -4.47 135.00 132.51 1pkd n PRO 204 Ca 0.24 -2.79 -0.29 0.00 -0.04 0.00 0.00 63.50 60.61 1pkd n PRO 204 Cb 0.40 -2.89 0.17 0.00 -0.04 0.00 0.00 33.50 31.14 1pkd n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1pkd s GLY 205 N 1.77 1.59 -0.00 0.55 0.00 -1.26 -5.00 107.32 104.96 1pkd s GLY 205 Ca 0.56 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.72 1pkd s GLY 205 CO -0.07 0.04 0.10 1.22 0.00 0.00 0.00 173.10 174.40 1pkd n ASP 206 N -4.05 3.31 -3.28 1.64 8.00 -1.26 -4.86 116.55 116.04 1pkd n ASP 206 Ca 0.08 -0.12 -0.18 0.00 0.71 0.00 0.00 54.79 55.28 1pkd n ASP 206 Cb 0.59 1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 42.77 1pkd n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pkd s SER 207 N -2.23 1.38 0.10 -2.24 1.04 -1.26 -5.01 113.70 105.48 1pkd s SER 207 Ca -0.01 -1.65 -0.18 0.00 0.48 0.00 0.00 55.95 54.59 1pkd s SER 207 Cb 0.03 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 1pkd s SER 207 CO 0.16 -1.17 1.62 -0.33 0.98 0.00 0.00 173.24 174.50 1pkd h GLU 208 N 2.12 0.44 -0.51 4.02 5.08 -1.99 -0.77 114.58 122.97 1pkd h GLU 208 Ca -0.26 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 1pkd h GLU 208 Cb 1.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1pkd h GLU 208 CO 0.37 0.50 -0.14 0.97 -1.00 0.00 0.00 179.01 179.71 1pkd h ILE 209 N 0.30 1.27 -0.00 3.13 6.09 -1.97 -0.56 117.51 125.77 1pkd h ILE 209 Ca 0.09 -1.30 0.01 0.00 -1.37 0.00 0.00 64.86 62.30 1pkd h ILE 209 Cb 0.24 1.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 1pkd h ILE 209 CO -0.00 0.45 -0.07 -0.78 -3.07 0.00 0.00 178.15 174.68 1pkd h ASP 210 N 0.86 -0.20 -0.50 2.19 3.58 -1.95 0.94 116.42 121.33 1pkd h ASP 210 Ca 0.13 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.69 1pkd h ASP 210 Cb 0.71 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.79 1pkd h ASP 210 CO 0.05 -0.11 0.13 -0.61 -2.88 0.00 0.00 179.24 175.83 1pkd h GLN 211 N -0.12 0.27 0.01 0.28 5.75 -0.93 -0.92 115.11 119.44 1pkd h GLN 211 Ca 0.03 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1pkd h GLN 211 Cb 0.16 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 1pkd h GLN 211 CO -0.08 0.18 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.20 1pkd h LEU 212 N 0.27 -0.02 -1.20 -2.39 3.38 -0.77 -1.95 115.31 112.64 1pkd h LEU 212 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1pkd h LEU 212 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1pkd h LEU 212 CO -0.30 -0.01 0.20 -0.26 0.09 0.00 0.00 178.44 178.16 1pkd h PHE 213 N -0.02 0.76 -0.40 1.13 0.04 -0.53 -0.11 116.94 117.82 1pkd h PHE 213 Ca -0.00 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 1pkd h PHE 213 Cb 0.02 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1pkd h PHE 213 CO -0.08 0.60 -0.13 0.00 -0.60 0.00 0.00 178.31 178.10 1pkd h ARG 214 N 0.75 0.71 0.75 1.51 3.08 -0.96 -1.05 114.38 119.17 1pkd h ARG 214 Ca 0.18 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1pkd h ARG 214 Cb 0.16 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1pkd h ARG 214 CO -0.02 0.81 -0.36 0.82 -1.07 0.00 0.00 179.97 180.16 1pkd h ILE 215 N 0.64 0.05 -0.90 2.04 2.04 -0.67 -3.06 117.51 117.66 1pkd h ILE 215 Ca 0.11 -0.25 0.25 0.00 1.00 0.00 0.00 64.86 65.97 1pkd h ILE 215 Cb 0.59 0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 36.59 1pkd h ILE 215 CO 0.04 0.01 0.22 -0.26 0.00 0.00 0.00 178.15 178.15 1pkd h PHE 216 N -1.24 0.31 0.00 1.37 0.04 -0.98 0.12 116.94 116.56 1pkd h PHE 216 Ca -0.10 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1pkd h PHE 216 Cb 0.78 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1pkd h PHE 216 CO 0.00 -0.27 0.00 0.00 -0.60 0.00 0.00 178.31 177.44 1pkd h ARG 217 N 0.16 0.00 0.04 1.51 3.08 -1.20 0.62 114.38 118.59 1pkd h ARG 217 Ca 0.58 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.25 1pkd h ARG 217 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 1pkd h ARG 217 CO -0.71 0.00 -2.27 2.41 -1.07 0.00 0.00 179.97 178.33 1pkd n THR 218 N -2.64 1.59 0.46 2.04 -1.04 -0.25 -4.61 114.28 109.83 1pkd n THR 218 Ca 0.02 -0.63 0.05 0.00 -2.04 0.00 0.00 64.05 61.45 1pkd n THR 218 Cb 0.30 -1.45 0.01 0.00 -1.82 0.00 0.00 70.33 67.37 1pkd n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pkd n LEU 219 N -3.29 1.35 0.00 -4.42 4.77 -0.13 -3.20 117.00 112.07 1pkd n LEU 219 Ca -0.39 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1pkd n LEU 219 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1pkd n LEU 219 CO 0.34 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1pkd n GLY 220 N 0.86 -0.46 3.71 -0.72 0.00 0.21 -4.46 105.19 104.33 1pkd n GLY 220 Ca 0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1pkd n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkd s THR 221 N -3.05 4.12 0.28 2.61 2.01 -0.48 -4.45 115.64 116.68 1pkd s THR 221 Ca 0.00 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 1pkd s THR 221 Cb 0.00 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1pkd s THR 221 CO 0.00 0.11 1.15 -2.16 -0.69 0.00 0.00 174.62 173.03 1pkd s PRO 222 N 1.15 4.57 0.32 4.92 0.04 -1.26 -4.86 135.00 139.88 1pkd s PRO 222 Ca 0.58 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1pkd s PRO 222 Cb -0.28 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1pkd s PRO 222 CO 0.29 0.10 0.02 -0.40 0.04 0.00 0.00 177.00 177.05 1pkd n ASP 223 N 1.27 2.61 0.26 6.66 5.68 -1.26 -4.94 116.55 126.83 1pkd n ASP 223 Ca -0.00 -2.44 0.10 0.00 -0.50 0.00 0.00 54.79 51.95 1pkd n ASP 223 Cb 0.44 0.31 0.68 0.00 -1.14 0.00 0.00 41.12 41.40 1pkd n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1pkd h GLU 224 N 0.00 0.00 0.88 0.11 4.39 -1.98 -0.80 114.58 117.18 1pkd h GLU 224 Ca -0.26 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1pkd h GLU 224 Cb 0.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1pkd h GLU 224 CO 0.43 0.10 -0.42 0.28 -1.16 0.00 0.00 179.01 178.24 1pkd h VAL 225 N 0.00 0.00 0.00 3.13 2.07 -1.99 -2.65 116.25 116.81 1pkd h VAL 225 Ca -0.00 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1pkd h VAL 225 Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1pkd h VAL 225 CO 0.01 0.00 -0.37 1.62 0.02 0.00 0.00 177.57 178.86 1pkd h VAL 226 N -1.31 1.18 -1.70 2.57 3.04 -1.90 -3.40 116.25 114.72 1pkd h VAL 226 Ca -0.12 -1.29 -0.34 0.00 -1.01 0.00 0.00 66.70 63.94 1pkd h VAL 226 Cb 0.90 1.71 -0.28 0.00 -2.01 0.00 0.00 31.29 31.62 1pkd h VAL 226 CO 0.20 0.36 -0.68 0.86 -1.01 0.00 0.00 177.57 177.29 1pkd s TRP 227 N -4.09 -0.45 0.25 3.17 -0.00 -0.33 -4.49 118.94 112.99 1pkd s TRP 227 Ca -0.02 -1.03 -0.31 0.00 -0.00 0.00 0.00 56.10 54.74 1pkd s TRP 227 Cb 0.14 -0.27 -0.13 0.00 -0.00 0.00 0.00 33.47 33.21 1pkd s TRP 227 CO 0.71 -1.04 1.40 -2.30 -0.00 0.00 0.00 176.95 175.72 1pkd n PRO 228 N 3.56 2.05 0.00 5.86 -0.02 -1.00 -1.34 135.00 144.11 1pkd n PRO 228 Ca 0.18 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1pkd n PRO 228 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1pkd n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkd n GLY 229 N 2.04 3.03 0.27 -1.23 0.00 -1.26 -4.95 105.19 103.08 1pkd n GLY 229 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1pkd n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pkd h VAL 230 N 0.00 0.35 0.00 1.61 3.04 -1.53 0.29 116.25 120.01 1pkd h VAL 230 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1pkd h VAL 230 Cb 0.00 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.53 1pkd h VAL 230 CO 0.00 0.02 0.00 0.35 -1.01 0.00 0.00 177.57 176.93 1pkd n THR 231 N -5.35 0.17 0.59 3.17 -2.24 -1.26 -1.60 114.28 107.75 1pkd n THR 231 Ca 0.13 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 1pkd n THR 231 Cb 0.45 -0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 1pkd n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pkd n SER 232 N -1.10 0.65 -4.63 3.42 7.64 0.10 -4.91 113.62 114.78 1pkd n SER 232 Ca 0.12 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.98 1pkd n SER 232 Cb 0.09 1.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.67 1pkd n SER 232 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1pkd n MET 233 N -1.78 1.57 -0.23 1.43 2.81 -0.63 -4.89 117.12 115.42 1pkd n MET 233 Ca 0.01 0.56 0.14 0.00 -1.81 0.00 0.00 57.70 56.60 1pkd n MET 233 Cb 0.41 -2.10 0.45 0.00 -0.71 0.00 0.00 33.22 31.27 1pkd n MET 233 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1pkd h PRO 234 N 1.90 0.53 -0.34 0.03 0.11 -1.76 -2.35 132.00 130.12 1pkd h PRO 234 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pkd h PRO 234 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pkd h PRO 234 CO 0.59 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 1pkd n ASP 235 N -4.52 4.28 -4.74 -2.05 8.00 -0.93 -4.96 116.55 111.62 1pkd n ASP 235 Ca 0.17 -2.97 -0.41 0.00 0.71 0.00 0.00 54.79 52.29 1pkd n ASP 235 Cb 0.53 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1pkd n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pkd s TYR 236 N -2.75 3.65 -0.07 1.24 6.14 -0.89 -4.90 117.35 119.76 1pkd s TYR 236 Ca 0.45 1.68 0.03 0.00 0.64 0.00 0.00 57.07 59.87 1pkd s TYR 236 Cb 0.35 -3.23 0.00 0.00 0.42 0.00 0.00 41.96 39.51 1pkd s TYR 236 CO 0.11 -0.42 -0.17 0.15 0.64 0.00 0.00 175.55 175.85 1pkd s LYS 237 N -0.74 2.17 0.58 4.97 1.02 -1.26 -4.95 119.74 121.53 1pkd s LYS 237 Ca 0.47 -0.62 0.36 0.00 0.02 0.00 0.00 55.97 56.20 1pkd s LYS 237 Cb -0.29 -1.74 1.95 0.00 -0.52 0.00 0.00 37.83 37.23 1pkd s LYS 237 CO 0.36 0.14 2.10 -1.00 -0.92 0.00 0.00 175.35 176.02 1pkd h PRO 238 N 6.70 0.00 -0.00 -1.68 0.13 -1.96 -1.72 132.00 133.46 1pkd h PRO 238 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1pkd h PRO 238 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pkd h PRO 238 CO 0.47 0.00 -0.26 -1.13 -0.23 0.00 0.00 178.00 176.86 1pkd n SER 239 N -2.82 0.40 -4.60 1.44 3.41 -1.26 -4.88 113.62 105.31 1pkd n SER 239 Ca -0.02 -0.17 -0.60 0.00 -0.26 0.00 0.00 58.87 57.82 1pkd n SER 239 Cb 0.12 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1pkd n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1pkd n PHE 240 N -1.31 1.20 -1.64 7.33 3.72 -0.65 -4.89 117.46 121.23 1pkd n PHE 240 Ca 0.08 0.96 -0.40 0.00 -0.05 0.00 0.00 57.45 58.04 1pkd n PHE 240 Cb 0.32 -2.20 0.02 0.00 -0.94 0.00 0.00 39.48 36.69 1pkd n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1pkd n PRO 241 N 2.66 1.38 -3.32 -1.08 -0.02 -1.26 -4.96 135.00 128.41 1pkd n PRO 241 Ca 0.23 0.50 -0.46 0.00 -2.02 0.00 0.00 63.50 61.75 1pkd n PRO 241 Cb 0.07 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 1pkd n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pkd s LYS 242 N -2.26 3.17 0.16 -0.52 -0.14 -1.26 -4.80 119.74 114.09 1pkd s LYS 242 Ca 0.66 -1.93 -0.11 0.00 -1.36 0.00 0.00 55.97 53.23 1pkd s LYS 242 Cb -0.51 -4.34 -0.07 0.00 -1.68 0.00 0.00 37.83 31.24 1pkd s LYS 242 CO 0.55 -1.32 0.51 -1.58 -0.76 0.00 0.00 175.35 172.74 1pkd s TRP 243 N 1.18 3.53 0.36 3.18 0.51 -1.26 -4.91 118.94 121.52 1pkd s TRP 243 Ca 0.07 0.91 -0.25 0.00 -2.12 0.00 0.00 56.10 54.71 1pkd s TRP 243 Cb -0.24 -2.26 -0.10 0.00 -0.81 0.00 0.00 33.47 30.06 1pkd s TRP 243 CO -0.00 0.39 0.98 0.00 -0.51 0.00 0.00 176.95 177.80 1pkd s ALA 244 N -1.58 3.15 0.22 0.98 0.00 -1.26 -1.38 121.76 121.89 1pkd s ALA 244 Ca 0.40 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1pkd s ALA 244 Cb -0.13 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1pkd s ALA 244 CO 0.20 0.06 1.39 0.50 0.00 0.00 0.00 175.76 177.91 1pkd s ARG 245 N -2.37 4.32 0.44 0.00 3.52 -1.26 -4.07 118.95 119.53 1pkd s ARG 245 Ca 0.54 2.19 -0.16 0.00 -0.13 0.00 0.00 55.73 58.18 1pkd s ARG 245 Cb -0.18 -3.15 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 1pkd s ARG 245 CO 0.23 -0.35 0.88 -0.65 -0.81 0.00 0.00 175.30 174.60 1pkd s GLN 246 N -0.19 3.97 -0.17 5.12 -0.21 -1.19 -4.88 119.66 122.10 1pkd s GLN 246 Ca 0.59 0.81 -0.40 0.00 0.02 0.00 0.00 55.36 56.38 1pkd s GLN 246 Cb -0.39 -2.26 -0.17 0.00 1.00 0.00 0.00 33.01 31.19 1pkd s GLN 246 CO 0.40 -0.09 1.57 -3.47 -2.12 0.00 0.00 175.29 171.58 1pkd n ASP 247 N -1.13 1.93 0.22 5.90 -0.08 -1.26 -4.86 116.55 117.28 1pkd n ASP 247 Ca 0.05 1.10 0.08 0.00 -1.51 0.00 0.00 54.79 54.52 1pkd n ASP 247 Cb 0.54 -1.12 0.50 0.00 2.34 0.00 0.00 41.12 43.38 1pkd n ASP 247 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1pkd h PHE 248 N 6.00 0.00 0.00 -0.67 3.57 -1.94 -1.94 116.94 121.96 1pkd h PHE 248 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1pkd h PHE 248 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1pkd h PHE 248 CO 0.70 0.26 0.00 -1.13 -2.23 0.00 0.00 178.31 175.90 1pkd n SER 249 N -3.67 0.00 -0.01 0.41 3.41 -1.26 -2.20 113.62 110.31 1pkd n SER 249 Ca -0.01 0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1pkd n SER 249 Cb 0.37 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.92 1pkd n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkd n LYS 250 N -1.27 0.55 -0.06 4.33 4.76 -0.73 -3.81 118.16 121.93 1pkd n LYS 250 Ca 0.07 -0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 1pkd n LYS 250 Cb 0.11 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1pkd n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1pkd h VAL 251 N 0.00 1.34 -2.42 -0.18 2.07 -1.47 -3.38 116.25 112.21 1pkd h VAL 251 Ca 0.00 -1.49 -0.59 0.00 0.82 0.00 0.00 66.70 65.44 1pkd h VAL 251 Cb 0.75 1.85 -0.39 0.00 -1.52 0.00 0.00 31.29 31.98 1pkd h VAL 251 CO 0.00 0.45 -0.93 0.52 0.02 0.00 0.00 177.57 177.64 1pkd n VAL 252 N -4.37 -0.67 -0.29 2.57 0.31 -1.23 -5.05 118.33 109.59 1pkd n VAL 252 Ca -0.06 -3.74 0.12 0.00 -0.01 0.00 0.00 64.34 60.66 1pkd n VAL 252 Cb 0.46 -1.77 0.28 0.00 -0.91 0.00 0.00 33.84 31.90 1pkd n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1pkd h PRO 253 N 5.38 0.28 0.00 5.55 0.11 -1.75 -0.99 132.00 140.58 1pkd h PRO 253 Ca 0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1pkd h PRO 253 Cb 0.88 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1pkd h PRO 253 CO 0.44 0.18 0.00 -2.30 -0.21 0.00 0.00 178.00 176.12 1pkd n PRO 254 N -5.15 0.07 -2.41 1.05 -0.02 -1.26 -4.82 135.00 122.45 1pkd n PRO 254 Ca 0.21 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1pkd n PRO 254 Cb 0.64 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 1pkd n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pkd s LEU 255 N -2.87 4.51 0.95 2.45 2.96 -0.38 -5.05 118.68 121.26 1pkd s LEU 255 Ca 0.09 2.31 -0.16 0.00 -0.22 0.00 0.00 54.13 56.16 1pkd s LEU 255 Cb 0.10 -3.62 0.19 0.00 0.50 0.00 0.00 46.19 43.36 1pkd s LEU 255 CO 0.26 -0.25 1.31 1.51 -1.32 0.00 0.00 176.35 177.87 1pkd s ASP 256 N -0.57 3.20 0.21 3.68 -4.77 -1.26 -4.79 116.67 112.37 1pkd s ASP 256 Ca 0.47 0.29 -0.09 0.00 -3.30 0.00 0.00 52.55 49.92 1pkd s ASP 256 Cb -0.33 -0.36 0.30 0.00 -1.09 0.00 0.00 42.92 41.45 1pkd s ASP 256 CO 0.41 -2.68 1.75 -0.08 0.70 0.00 0.00 175.17 175.27 1pkd h GLU 257 N -1.60 0.44 -0.08 2.11 4.81 -1.99 -1.40 114.58 116.87 1pkd h GLU 257 Ca -0.44 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1pkd h GLU 257 Cb 1.24 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1pkd h GLU 257 CO 0.39 0.29 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.51 1pkd h ASP 258 N 0.46 0.16 -0.22 1.04 3.32 -1.96 -0.07 116.42 119.15 1pkd h ASP 258 Ca 0.32 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1pkd h ASP 258 Cb 0.39 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1pkd h ASP 258 CO -0.30 0.49 -0.10 1.23 -1.72 0.00 0.00 179.24 178.84 1pkd h GLY 259 N -0.17 0.10 0.72 2.75 0.00 -1.90 0.60 103.07 105.18 1pkd h GLY 259 Ca 0.02 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1pkd h GLY 259 CO 0.01 -0.12 0.35 3.21 0.00 0.00 0.00 176.54 179.99 1pkd h ARG 260 N -0.06 0.64 -0.22 4.80 3.08 -1.18 0.31 114.38 121.74 1pkd h ARG 260 Ca 0.12 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1pkd h ARG 260 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1pkd h ARG 260 CO -0.26 0.42 0.09 1.03 -1.07 0.00 0.00 179.97 180.17 1pkd h SER 261 N 0.66 0.11 -0.05 7.04 0.87 -0.39 -0.62 113.55 121.16 1pkd h SER 261 Ca 0.28 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1pkd h SER 261 Cb 0.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1pkd h SER 261 CO -0.16 0.09 0.00 0.25 -0.53 0.00 0.00 176.83 176.48 1pkd h LEU 262 N 0.20 0.08 -0.63 2.23 5.85 -0.39 -2.53 115.31 120.10 1pkd h LEU 262 Ca 0.09 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1pkd h LEU 262 Cb 0.05 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1pkd h LEU 262 CO -0.09 0.34 0.25 0.25 -0.34 0.00 0.00 178.44 178.85 1pkd h LEU 263 N -0.19 0.27 -2.15 2.25 5.85 -0.36 -0.52 115.31 120.46 1pkd h LEU 263 Ca 0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1pkd h LEU 263 Cb 0.30 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1pkd h LEU 263 CO 0.00 0.16 -0.07 0.77 -0.34 0.00 0.00 178.44 178.96 1pkd h SER 264 N 0.44 0.00 0.96 1.25 4.64 -0.98 -1.98 113.55 117.88 1pkd h SER 264 Ca 0.32 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 1pkd h SER 264 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1pkd h SER 264 CO -0.30 0.07 -1.05 1.56 -0.87 0.00 0.00 176.83 176.24 1pkd h GLN 265 N 0.00 0.01 0.00 4.77 4.20 -0.68 -3.07 115.11 120.34 1pkd h GLN 265 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1pkd h GLN 265 Cb 0.20 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1pkd h GLN 265 CO 0.01 0.98 -0.03 0.52 -0.67 0.00 0.00 178.83 179.64 1pkd h MET 266 N 0.00 0.00 -0.20 1.46 2.86 -0.82 -1.01 114.93 117.23 1pkd h MET 266 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1pkd h MET 266 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1pkd h MET 266 CO 0.13 0.03 0.00 1.28 1.06 0.00 0.00 176.91 179.41 1pkd n LEU 267 N -3.12 3.47 -4.72 1.22 4.77 -0.80 -3.97 117.00 113.85 1pkd n LEU 267 Ca 0.02 -3.00 -0.42 0.00 -0.03 0.00 0.00 56.01 52.58 1pkd n LEU 267 Cb 0.41 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1pkd n LEU 267 CO 0.31 0.68 1.29 1.57 -1.33 0.00 0.00 177.39 179.91 1pkd n HIS 268 N -0.71 2.74 0.01 -1.77 -0.00 -1.16 -4.92 115.22 109.40 1pkd n HIS 268 Ca 0.20 0.16 -0.10 0.00 0.46 0.00 0.00 57.72 58.44 1pkd n HIS 268 Cb 0.81 -2.62 -0.04 0.00 -0.12 0.00 0.00 29.99 28.02 1pkd n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1pkd h TYR 269 N 5.77 -0.24 -3.32 1.57 0.05 -1.92 -3.42 116.97 115.47 1pkd h TYR 269 Ca -0.45 0.02 -0.57 0.00 0.05 0.00 0.00 58.73 57.78 1pkd h TYR 269 Cb 1.22 0.12 -0.06 0.00 1.01 0.00 0.00 36.73 39.02 1pkd h TYR 269 CO 0.61 -0.15 0.94 0.34 -1.05 0.00 0.00 178.16 178.86 1pkd s ASP 270 N -5.11 6.68 0.34 3.88 -1.08 -1.26 -4.82 116.67 115.31 1pkd s ASP 270 Ca -0.14 0.97 0.11 0.00 -0.52 0.00 0.00 52.55 52.97 1pkd s ASP 270 Cb 0.09 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.91 1pkd s ASP 270 CO 0.67 -1.11 1.77 -0.65 0.52 0.00 0.00 175.17 176.37 1pkd h PRO 271 N 9.17 0.57 -0.29 4.34 0.11 -1.95 -0.91 132.00 143.03 1pkd h PRO 271 Ca -0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1pkd h PRO 271 Cb 1.08 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1pkd h PRO 271 CO 1.06 0.38 0.03 -0.91 -0.21 0.00 0.00 178.00 178.34 1pkd h ASN 272 N 0.59 0.39 0.84 -2.05 2.35 -1.95 -3.06 115.58 112.68 1pkd h ASN 272 Ca 0.60 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1pkd h ASN 272 Cb 1.18 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 1pkd h ASN 272 CO -0.38 0.43 -1.16 0.29 -1.65 0.00 0.00 177.43 174.96 1pkd n LYS 273 N -4.34 0.61 -1.61 0.81 5.02 -0.42 -4.91 118.16 113.32 1pkd n LYS 273 Ca 0.01 0.08 -0.46 0.00 -2.02 0.00 0.00 58.31 55.92 1pkd n LYS 273 Cb 0.20 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 1pkd n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pkd n ARG 274 N -2.62 1.52 -2.07 1.97 0.63 -0.75 -4.88 116.66 110.47 1pkd n ARG 274 Ca -0.01 0.54 -0.37 0.00 -0.92 0.00 0.00 57.85 57.09 1pkd n ARG 274 Cb 0.56 -2.05 0.02 0.00 0.45 0.00 0.00 32.46 31.44 1pkd n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1pkd s ILE 275 N -0.46 2.71 0.41 5.15 2.07 -0.38 -5.01 121.20 125.69 1pkd s ILE 275 Ca 0.66 0.49 -0.12 0.00 -1.41 0.00 0.00 60.65 60.28 1pkd s ILE 275 Cb -0.73 -3.23 -0.07 0.00 0.13 0.00 0.00 42.46 38.56 1pkd s ILE 275 CO 0.54 -0.05 0.80 -0.94 -1.91 0.00 0.00 174.94 173.38 1pkd s SER 276 N -1.39 6.57 0.34 4.50 1.04 -1.26 -4.87 113.70 118.64 1pkd s SER 276 Ca 0.71 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.41 1pkd s SER 276 Cb -0.31 -2.36 0.70 0.00 0.10 0.00 0.00 66.02 64.14 1pkd s SER 276 CO 0.36 -0.40 1.91 0.00 0.98 0.00 0.00 173.24 176.10 1pkd h ALA 277 N 1.35 1.68 0.65 5.32 0.00 -1.93 -1.02 119.26 125.31 1pkd h ALA 277 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1pkd h ALA 277 Cb 1.19 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pkd h ALA 277 CO 0.64 0.16 -0.31 -0.22 0.00 0.00 0.00 179.25 179.51 1pkd h LYS 278 N 0.82 -0.84 -0.65 0.00 3.64 -1.92 -2.79 116.57 114.83 1pkd h LYS 278 Ca 0.38 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 1pkd h LYS 278 Cb 0.38 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1pkd h LYS 278 CO -0.15 -0.55 0.43 0.00 -2.27 0.00 0.00 179.45 176.91 1pkd h ALA 279 N -0.54 1.77 0.00 5.00 0.00 -1.84 -2.29 119.26 121.36 1pkd h ALA 279 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1pkd h ALA 279 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pkd h ALA 279 CO 0.15 0.13 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 1pkd h ALA 280 N 1.65 1.08 -0.25 0.00 0.00 -1.01 -2.91 119.26 117.82 1pkd h ALA 280 Ca 0.28 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pkd h ALA 280 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pkd h ALA 280 CO -0.09 0.27 0.17 -0.07 0.00 0.00 0.00 179.25 179.54 1pkd h LEU 281 N 0.00 0.18 -0.94 0.00 3.38 -1.15 -1.30 115.31 115.49 1pkd h LEU 281 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pkd h LEU 281 Cb 0.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pkd h LEU 281 CO 0.03 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1pkd n ALA 282 N -2.53 2.48 -1.77 1.53 0.00 -1.10 -4.87 120.51 114.25 1pkd n ALA 282 Ca 0.02 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1pkd n ALA 282 Cb 0.17 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1pkd n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pkd s HIS 283 N -1.70 3.17 0.65 0.00 5.04 -0.49 -4.88 115.29 117.08 1pkd s HIS 283 Ca 0.21 1.47 0.29 0.00 -1.54 0.00 0.00 55.06 55.50 1pkd s HIS 283 Cb 0.11 -3.59 1.55 0.00 0.04 0.00 0.00 32.58 30.69 1pkd s HIS 283 CO 0.16 -1.56 1.89 -1.35 -2.34 0.00 0.00 174.74 171.53 1pkd h PRO 284 N 3.52 0.00 -0.80 2.88 0.10 -1.91 -0.91 132.00 134.88 1pkd h PRO 284 Ca -0.48 0.00 0.19 0.00 0.10 0.00 0.00 66.00 65.80 1pkd h PRO 284 Cb 1.22 0.00 -0.05 0.00 0.10 0.00 0.00 31.00 32.27 1pkd h PRO 284 CO 0.66 0.00 0.54 0.35 0.10 0.00 0.00 178.00 179.65 1pkd h PHE 285 N 0.00 0.35 -0.61 0.65 3.57 -1.90 -1.78 116.94 117.22 1pkd h PHE 285 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1pkd h PHE 285 Cb 0.82 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1pkd h PHE 285 CO 0.00 0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.38 1pkd n PHE 286 N -4.44 0.81 0.14 0.41 3.72 -0.35 -4.62 117.46 113.14 1pkd n PHE 286 Ca 0.16 -0.41 0.19 0.00 -0.05 0.00 0.00 57.45 57.35 1pkd n PHE 286 Cb 0.67 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.97 1pkd n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1pkd h GLN 287 N 3.84 0.00 0.00 -1.08 3.07 -1.45 -1.61 115.11 117.89 1pkd h GLN 287 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pkd h GLN 287 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.43 1pkd h GLN 287 CO 0.00 0.00 -0.09 -0.40 0.09 0.00 0.00 178.83 178.43 1pkd n ASP 288 N -3.54 1.94 -4.72 0.06 5.68 -1.26 -5.06 116.55 109.65 1pkd n ASP 288 Ca 0.05 -2.91 -0.42 0.00 -0.50 0.00 0.00 54.79 51.01 1pkd n ASP 288 Cb 0.58 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 1pkd n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pkd s VAL 289 N -2.39 2.58 0.47 2.12 0.11 -0.61 -5.01 120.40 117.67 1pkd s VAL 289 Ca 0.27 0.42 0.05 0.00 -2.93 0.00 0.00 61.98 59.78 1pkd s VAL 289 Cb 0.23 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1pkd s VAL 289 CO 0.02 0.03 0.11 0.42 -3.33 0.00 0.00 175.10 172.36 1pkd s THR 290 N 1.08 1.70 -0.96 5.04 -4.23 -1.26 -5.08 115.64 111.94 1pkd s THR 290 Ca 0.70 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1pkd s THR 290 Cb -0.44 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.11 1pkd s THR 290 CO 0.32 0.00 1.02 1.17 -0.54 0.00 0.00 174.62 176.59 1pkd n LYS 291 N -1.27 3.27 -1.89 3.99 4.81 -1.26 -4.42 118.16 121.39 1pkd n LYS 291 Ca -0.09 -4.52 -0.41 0.00 -0.87 0.00 0.00 58.31 52.42 1pkd n LYS 291 Cb 0.66 -2.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 1pkd n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1pkd s PRO 292 N -1.86 4.19 -0.57 1.64 0.04 -1.26 -4.94 135.00 132.24 1pkd s PRO 292 Ca 0.31 2.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.69 1pkd s PRO 292 Cb -0.02 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.62 1pkd s PRO 292 CO -0.05 -0.50 0.47 0.08 0.04 0.00 0.00 177.00 177.05 1pkd s VAL 293 N -0.31 4.63 0.00 -0.36 1.01 -1.26 -4.66 120.40 119.44 1pkd s VAL 293 Ca 0.59 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1pkd s VAL 293 Cb -0.45 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1pkd s VAL 293 CO 0.50 -0.86 0.00 -0.81 0.00 0.00 0.00 175.10 173.93 1pkd n PRO 294 N 4.62 3.54 -0.73 2.72 -0.04 -1.26 -4.92 135.00 138.92 1pkd n PRO 294 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1pkd n PRO 294 Cb 0.41 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.03 1pkd n PRO 294 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pkd n HIS 295 N -0.02 0.00 0.33 0.54 -0.00 -1.26 -5.05 115.22 109.76 1pkd n HIS 295 Ca 0.00 -1.18 0.04 0.00 -0.00 0.00 0.00 57.72 56.58 1pkd n HIS 295 Cb 0.00 -0.21 0.03 0.00 -0.00 0.00 0.00 29.99 29.81 1pkd n HIS 295 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23