#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkj n PRO 6 N 0.00 -2.69 -2.88 5.56 -0.04 -1.26 -4.97 135.00 128.72 2pkj n PRO 6 Ca 0.00 -1.06 -0.41 0.00 -0.04 0.00 0.00 63.50 61.99 2pkj n PRO 6 Cb 0.00 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2pkj n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2pkj s THR 7 N -2.12 4.84 -0.15 0.52 2.01 -1.26 -4.95 115.64 114.52 2pkj s THR 7 Ca 0.44 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 64.19 2pkj s THR 7 Cb -0.05 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2pkj s THR 7 CO 0.34 0.26 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.10 2pkj s PHE 8 N 0.55 2.95 0.01 4.92 0.40 -1.26 -0.06 117.98 125.49 2pkj s PHE 8 Ca 0.44 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 2pkj s PHE 8 Cb -0.20 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2pkj s PHE 8 CO 0.24 -0.14 -0.18 1.52 0.70 0.00 0.00 175.22 177.37 2pkj s TYR 9 N 0.45 2.57 0.29 0.36 -0.85 -0.54 -4.90 117.35 114.73 2pkj s TYR 9 Ca -0.06 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.21 2pkj s TYR 9 Cb -0.15 -1.52 -0.05 0.00 0.38 0.00 0.00 41.96 40.63 2pkj s TYR 9 CO 0.03 0.20 0.53 1.03 -1.52 0.00 0.00 175.55 175.82 2pkj s ARG 10 N -1.14 3.58 0.20 -3.49 0.52 -1.26 -2.69 118.95 114.67 2pkj s ARG 10 Ca 0.13 -0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 55.00 2pkj s ARG 10 Cb -0.10 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.74 2pkj s ARG 10 CO 0.03 0.23 0.69 -1.14 0.02 0.00 0.00 175.30 175.13 2pkj s GLN 11 N -3.66 1.46 -0.22 3.54 0.74 -0.52 -4.99 119.66 116.01 2pkj s GLN 11 Ca 0.42 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 55.12 2pkj s GLN 11 Cb -0.11 0.57 0.07 0.00 1.10 0.00 0.00 33.01 34.64 2pkj s GLN 11 CO 0.31 -0.65 0.04 -2.00 -0.55 0.00 0.00 175.29 172.43 2pkj s GLU 12 N -3.75 0.76 -0.30 1.67 2.12 -1.26 -1.13 118.70 116.81 2pkj s GLU 12 Ca 0.06 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 2pkj s GLU 12 Cb -0.03 -2.12 0.04 0.00 0.26 0.00 0.00 34.13 32.27 2pkj s GLU 12 CO -0.03 -0.70 0.02 -0.51 -0.54 0.00 0.00 175.26 173.50 2pkj s LEU 13 N 1.78 3.87 -1.09 2.70 2.01 -0.65 -4.71 118.68 122.59 2pkj s LEU 13 Ca 0.00 -1.13 -0.08 0.00 0.01 0.00 0.00 54.13 52.94 2pkj s LEU 13 Cb -0.17 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.22 2pkj s LEU 13 CO -0.11 -0.25 0.90 0.59 1.01 0.00 0.00 176.35 178.49 2pkj n ASN 14 N 4.69 -5.80 0.00 2.29 5.03 -1.26 -2.51 115.26 117.70 2pkj n ASN 14 Ca -0.14 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.55 2pkj n ASN 14 Cb 0.45 -4.84 0.00 0.00 -1.02 0.00 0.00 39.78 34.37 2pkj n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pkj n LYS 15 N -3.52 0.00 -3.32 3.52 4.01 -1.26 -4.94 118.16 112.65 2pkj n LYS 15 Ca -0.10 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.31 2pkj n LYS 15 Cb 0.62 -3.25 -0.06 0.00 -0.51 0.00 0.00 35.03 31.83 2pkj n LYS 15 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2pkj s THR 16 N -1.00 4.92 -0.08 -0.18 -4.23 -1.04 -5.06 115.64 108.97 2pkj s THR 16 Ca 0.00 1.08 -0.21 0.00 -1.18 0.00 0.00 61.69 61.39 2pkj s THR 16 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2pkj s THR 16 CO 0.00 0.50 0.59 -0.63 -0.54 0.00 0.00 174.62 174.53 2pkj s ILE 17 N -0.63 5.09 -0.11 2.99 -1.09 -1.26 -1.63 121.20 124.55 2pkj s ILE 17 Ca 0.28 1.20 0.03 0.00 -2.23 0.00 0.00 60.65 59.92 2pkj s ILE 17 Cb -0.18 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 2pkj s ILE 17 CO 0.16 0.31 -0.20 0.26 -1.23 0.00 0.00 174.94 174.24 2pkj s TRP 18 N 0.57 2.34 -0.26 3.97 0.52 -0.28 -4.99 118.94 120.81 2pkj s TRP 18 Ca 0.32 -1.09 0.01 0.00 0.02 0.00 0.00 56.10 55.36 2pkj s TRP 18 Cb -0.17 -1.61 0.07 0.00 -1.15 0.00 0.00 33.47 30.61 2pkj s TRP 18 CO 0.15 -0.50 -0.03 -2.00 0.02 0.00 0.00 176.95 174.59 2pkj s GLU 19 N 0.74 1.59 0.18 4.98 2.12 -1.26 -1.43 118.70 125.61 2pkj s GLU 19 Ca -0.10 -1.18 0.04 0.00 0.36 0.00 0.00 54.97 54.08 2pkj s GLU 19 Cb -0.16 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 2pkj s GLU 19 CO 0.01 -0.69 -0.06 0.14 -0.54 0.00 0.00 175.26 174.12 2pkj s VAL 20 N 1.30 1.10 0.63 3.70 -7.23 -1.10 -4.64 120.40 114.17 2pkj s VAL 20 Ca -0.02 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 57.92 2pkj s VAL 20 Cb -0.19 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 2pkj s VAL 20 CO -0.08 -0.59 1.22 -2.84 -0.31 0.00 0.00 175.10 172.49 2pkj s PRO 21 N -3.79 2.75 0.57 4.82 0.02 -1.26 -1.47 135.00 136.64 2pkj s PRO 21 Ca 0.21 1.83 0.27 0.00 0.02 0.00 0.00 61.00 63.34 2pkj s PRO 21 Cb 0.04 -1.90 1.69 0.00 0.02 0.00 0.00 34.50 34.34 2pkj s PRO 21 CO 0.03 -1.38 2.21 1.05 -0.33 0.00 0.00 177.00 178.58 2pkj h GLU 22 N 0.59 0.00 -0.42 5.54 4.11 -0.85 -2.28 114.58 121.27 2pkj h GLU 22 Ca -0.50 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.05 2pkj h GLU 22 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2pkj h GLU 22 CO 0.54 0.02 0.30 0.07 0.07 0.00 0.00 179.01 180.01 2pkj h ARG 23 N 0.00 0.00 -5.50 1.06 0.11 -1.91 -3.37 114.38 104.77 2pkj h ARG 23 Ca -0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 2pkj h ARG 23 Cb 0.05 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.00 2pkj h ARG 23 CO 0.00 0.00 0.16 0.71 0.10 0.00 0.00 179.97 180.95 2pkj s TYR 24 N -5.02 3.13 0.36 4.08 1.51 -0.86 -0.58 117.35 119.96 2pkj s TYR 24 Ca -0.05 0.29 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2pkj s TYR 24 Cb 0.19 -3.21 -0.07 0.00 -0.11 0.00 0.00 41.96 38.76 2pkj s TYR 24 CO 0.72 -0.69 -0.03 -0.65 -1.11 0.00 0.00 175.55 173.78 2pkj s GLN 25 N 2.78 1.81 -1.23 -0.62 -1.52 -0.03 -4.86 119.66 116.00 2pkj s GLN 25 Ca 0.25 -1.98 -0.01 0.00 -1.95 0.00 0.00 55.36 51.66 2pkj s GLN 25 Cb -0.14 -1.50 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 2pkj s GLN 25 CO 0.16 0.02 0.86 0.09 -0.25 0.00 0.00 175.29 176.17 2pkj n ASN 26 N -0.82 -2.27 -4.75 5.90 3.02 -1.26 0.17 115.26 115.26 2pkj n ASN 26 Ca -0.05 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 2pkj n ASN 26 Cb 0.65 -4.63 -0.02 0.00 -0.61 0.00 0.00 39.78 35.17 2pkj n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pkj s LEU 27 N -6.39 4.36 -0.12 3.41 1.43 -1.25 -4.38 118.68 115.73 2pkj s LEU 27 Ca 0.07 2.83 -0.04 0.00 -1.03 0.00 0.00 54.13 55.96 2pkj s LEU 27 Cb -0.01 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.64 2pkj s LEU 27 CO 0.77 -0.83 0.20 -0.55 0.23 0.00 0.00 176.35 176.17 2pkj s SER 28 N 0.48 0.81 0.27 2.29 0.15 -0.19 -4.93 113.70 112.59 2pkj s SER 28 Ca 0.62 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 2pkj s SER 28 Cb -0.46 0.41 -0.13 0.00 -1.71 0.00 0.00 66.02 64.13 2pkj s SER 28 CO 0.45 -0.26 1.28 -2.65 1.20 0.00 0.00 173.24 173.26 2pkj n PRO 29 N 5.33 1.85 0.00 5.44 -0.02 -1.26 0.11 135.00 146.45 2pkj n PRO 29 Ca -0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2pkj n PRO 29 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2pkj n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pkj n VAL 30 N 1.16 0.00 0.00 -1.45 0.24 -0.99 -4.81 118.33 112.48 2pkj n VAL 30 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2pkj n VAL 30 Cb 0.32 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2pkj n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pkj n GLY 31 N 1.59 -0.29 0.00 7.63 0.00 -1.24 -5.04 105.19 107.83 2pkj n GLY 31 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2pkj n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkj n GLY 36 N 0.00 0.00 3.88 -0.02 0.00 -1.26 -4.60 105.19 103.19 2pkj n GLY 36 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pkj n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pkj s SER 37 N 0.00 6.60 0.00 1.61 0.01 -0.44 -4.88 113.70 116.61 2pkj s SER 37 Ca 0.00 0.76 0.08 0.00 1.31 0.00 0.00 55.95 58.10 2pkj s SER 37 Cb 0.00 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 2pkj s SER 37 CO 0.00 0.09 -0.23 -0.69 0.41 0.00 0.00 173.24 172.82 2pkj s VAL 38 N -1.56 2.35 -0.05 3.43 1.01 -1.26 -0.80 120.40 123.52 2pkj s VAL 38 Ca 0.38 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2pkj s VAL 38 Cb -0.13 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2pkj s VAL 38 CO 0.21 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.73 2pkj s ALA 40 N 0.89 2.83 0.16 0.00 0.00 0.12 -0.25 121.76 125.51 2pkj s ALA 40 Ca -0.11 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 2pkj s ALA 40 Cb -0.15 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.74 2pkj s ALA 40 CO 0.01 -0.42 0.52 0.00 0.00 0.00 0.00 175.76 175.87 2pkj s ALA 41 N -1.92 -1.23 -0.28 0.00 0.00 0.54 -1.02 121.76 117.84 2pkj s ALA 41 Ca 0.68 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 2pkj s ALA 41 Cb -0.18 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2pkj s ALA 41 CO 0.22 -0.74 0.12 0.12 0.00 0.00 0.00 175.76 175.48 2pkj s PHE 42 N -3.80 3.15 -0.79 0.00 5.36 0.13 -0.41 117.98 121.61 2pkj s PHE 42 Ca 0.04 -0.44 -0.22 0.00 -0.96 0.00 0.00 56.93 55.34 2pkj s PHE 42 Cb -0.00 -2.31 0.08 0.00 -0.34 0.00 0.00 43.02 40.45 2pkj s PHE 42 CO -0.10 -0.39 1.11 0.34 -1.46 0.00 0.00 175.22 174.72 2pkj s ASP 43 N 1.63 6.34 0.00 6.13 2.15 -0.51 -0.85 116.67 131.57 2pkj s ASP 43 Ca 0.05 -1.28 0.03 0.00 0.43 0.00 0.00 52.55 51.78 2pkj s ASP 43 Cb -0.16 -2.45 0.14 0.00 -0.30 0.00 0.00 42.92 40.15 2pkj s ASP 43 CO 0.06 -1.39 0.72 0.35 -0.17 0.00 0.00 175.17 174.74 2pkj n THR 44 N 5.98 0.37 0.00 1.71 -2.24 0.25 0.06 114.28 120.42 2pkj n THR 44 Ca 0.10 0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.92 2pkj n THR 44 Cb 0.48 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.54 2pkj n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2pkj n LYS 45 N -1.10 0.63 -0.00 -0.78 0.00 -1.26 -4.44 118.16 111.21 2pkj n LYS 45 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.59 2pkj n LYS 45 Cb 0.01 -1.80 -0.00 0.00 0.00 0.00 0.00 35.03 33.24 2pkj n LYS 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2pkj n THR 46 N -2.97 0.00 -2.09 3.15 -2.24 -0.37 -5.02 114.28 104.74 2pkj n THR 46 Ca -0.14 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2pkj n THR 46 Cb 0.96 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 2pkj n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkj n GLY 47 N 1.92 0.09 3.40 3.38 0.00 0.11 -5.04 105.19 109.06 2pkj n GLY 47 Ca -0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 2pkj n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkj s LEU 48 N -3.32 2.52 0.26 0.99 1.43 -1.23 -4.94 118.68 114.39 2pkj s LEU 48 Ca 0.00 -0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 51.87 2pkj s LEU 48 Cb 0.00 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.18 2pkj s LEU 48 CO 0.00 -0.01 0.90 -0.13 0.23 0.00 0.00 176.35 177.34 2pkj s ARG 49 N -3.22 4.64 0.12 1.70 1.81 -1.26 -1.42 118.95 121.33 2pkj s ARG 49 Ca 0.23 1.31 -0.01 0.00 -1.72 0.00 0.00 55.73 55.55 2pkj s ARG 49 Cb -0.05 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 2pkj s ARG 49 CO 0.10 0.42 0.05 0.14 -0.68 0.00 0.00 175.30 175.33 2pkj s VAL 50 N -1.39 0.11 -0.14 3.52 -7.23 0.45 -3.50 120.40 112.21 2pkj s VAL 50 Ca 0.44 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2pkj s VAL 50 Cb -0.22 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2pkj s VAL 50 CO 0.27 -0.50 -0.12 0.00 -0.31 0.00 0.00 175.10 174.43 2pkj s ALA 51 N -4.04 2.63 -0.22 1.32 0.00 0.19 -0.34 121.76 121.29 2pkj s ALA 51 Ca 0.23 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 2pkj s ALA 51 Cb 0.07 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2pkj s ALA 51 CO 0.01 0.15 -0.02 0.08 0.00 0.00 0.00 175.76 175.97 2pkj s VAL 52 N 0.52 3.55 -0.22 0.00 1.01 0.65 -1.24 120.40 124.67 2pkj s VAL 52 Ca -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2pkj s VAL 52 Cb -0.16 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2pkj s VAL 52 CO 0.04 0.41 -0.02 -0.75 0.00 0.00 0.00 175.10 174.78 2pkj s LYS 53 N 1.48 3.48 -0.31 2.72 2.20 -0.01 -0.40 119.74 128.90 2pkj s LYS 53 Ca 0.06 -0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 2pkj s LYS 53 Cb -0.14 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2pkj s LYS 53 CO -0.02 -0.13 0.28 0.21 -0.36 0.00 0.00 175.35 175.33 2pkj s LYS 54 N 1.34 3.73 0.46 4.03 2.20 0.02 -0.93 119.74 130.59 2pkj s LYS 54 Ca 0.04 -0.38 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 2pkj s LYS 54 Cb -0.14 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 2pkj s LYS 54 CO -0.01 -0.36 1.34 -0.51 -0.36 0.00 0.00 175.35 175.45 2pkj s LEU 55 N 1.87 4.06 0.00 5.43 1.43 -0.75 -1.33 118.68 129.39 2pkj s LEU 55 Ca 0.09 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 2pkj s LEU 55 Cb -0.16 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.00 2pkj s LEU 55 CO 0.11 -1.15 0.00 -1.20 0.23 0.00 0.00 176.35 174.33 2pkj n SER 56 N -0.36 0.00 -4.01 2.29 7.64 -1.26 -4.55 113.62 113.37 2pkj n SER 56 Ca 0.06 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 2pkj n SER 56 Cb 0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 2pkj n SER 56 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2pkj n ARG 57 N 0.00 3.36 -0.23 1.43 5.12 -1.26 -4.93 116.66 120.15 2pkj n ARG 57 Ca 0.00 -4.53 0.01 0.00 -1.93 0.00 0.00 57.85 51.40 2pkj n ARG 57 Cb 0.00 -2.44 0.08 0.00 -1.16 0.00 0.00 32.46 28.94 2pkj n ARG 57 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2pkj h PRO 58 N 5.64 0.02 -0.22 5.56 0.11 -1.84 -3.11 132.00 138.16 2pkj h PRO 58 Ca 0.18 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 2pkj h PRO 58 Cb 0.74 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.66 2pkj h PRO 58 CO 1.03 0.01 -0.68 1.19 -0.21 0.00 0.00 178.00 179.34 2pkj n PHE 59 N -5.43 0.79 0.01 0.65 3.72 -1.26 -3.04 117.46 112.91 2pkj n PHE 59 Ca 0.09 -1.61 -0.03 0.00 -0.05 0.00 0.00 57.45 55.85 2pkj n PHE 59 Cb 0.36 -0.26 0.22 0.00 -0.94 0.00 0.00 39.48 38.86 2pkj n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2pkj h GLN 60 N 1.40 0.50 -4.40 -1.08 4.15 -1.89 -3.45 115.11 110.33 2pkj h GLN 60 Ca 0.06 -0.17 -0.20 0.00 0.77 0.00 0.00 58.65 59.12 2pkj h GLN 60 Cb 1.26 -0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 2pkj h GLN 60 CO 0.22 0.67 -0.53 -1.54 -1.93 0.00 0.00 178.83 175.72 2pkj s SER 61 N -6.79 0.11 0.16 -0.69 1.04 -1.26 -5.01 113.70 101.27 2pkj s SER 61 Ca -0.07 -1.29 -0.15 0.00 0.48 0.00 0.00 55.95 54.91 2pkj s SER 61 Cb 0.14 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2pkj s SER 61 CO 0.79 -0.89 1.81 0.40 0.98 0.00 0.00 173.24 176.33 2pkj h ILE 62 N 2.57 1.13 -0.70 -1.02 2.04 -1.92 0.32 117.51 119.93 2pkj h ILE 62 Ca -0.34 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2pkj h ILE 62 Cb 1.25 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2pkj h ILE 62 CO 0.50 0.12 0.32 0.40 0.00 0.00 0.00 178.15 179.49 2pkj h ILE 63 N 0.61 1.23 -0.23 -0.67 1.08 -1.96 -0.09 117.51 117.48 2pkj h ILE 63 Ca 0.17 -0.67 -0.10 0.00 -0.39 0.00 0.00 64.86 63.86 2pkj h ILE 63 Cb -0.05 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2pkj h ILE 63 CO -0.03 0.28 -0.25 0.45 -0.69 0.00 0.00 178.15 177.90 2pkj h HIS 64 N 1.00 0.70 -0.90 1.37 3.86 -1.70 -1.88 115.15 117.60 2pkj h HIS 64 Ca 0.24 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2pkj h HIS 64 Cb 0.13 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 2pkj h HIS 64 CO 0.01 0.92 0.50 0.00 0.86 0.00 0.00 177.93 180.23 2pkj h ALA 65 N 0.66 1.19 -0.48 2.45 0.00 -0.08 -1.08 119.26 121.92 2pkj h ALA 65 Ca 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2pkj h ALA 65 Cb 0.82 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pkj h ALA 65 CO 0.06 0.66 -0.11 -0.22 0.00 0.00 0.00 179.25 179.64 2pkj h LYS 66 N 1.25 0.93 0.00 0.00 3.64 -0.93 -2.26 116.57 119.21 2pkj h LYS 66 Ca 0.32 -0.35 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2pkj h LYS 66 Cb 0.01 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2pkj h LYS 66 CO -0.05 1.01 -0.50 0.07 -2.27 0.00 0.00 179.45 177.71 2pkj h ARG 67 N 0.78 0.00 -0.25 1.90 -0.00 -1.06 -0.10 114.38 115.66 2pkj h ARG 67 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.06 2pkj h ARG 67 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.63 2pkj h ARG 67 CO 0.05 0.50 0.01 1.15 -0.00 0.00 0.00 179.97 181.68 2pkj h THR 68 N 0.00 1.25 -0.36 0.08 2.02 -0.97 -0.04 112.91 114.89 2pkj h THR 68 Ca -0.01 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2pkj h THR 68 Cb 0.94 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2pkj h THR 68 CO 0.07 0.28 0.22 0.22 0.37 0.00 0.00 175.52 176.68 2pkj h TYR 69 N 0.22 0.48 -0.30 3.16 5.03 -1.13 -2.02 116.97 122.41 2pkj h TYR 69 Ca 0.07 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.42 2pkj h TYR 69 Cb 0.40 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 2pkj h TYR 69 CO 0.03 0.34 0.09 -0.09 -1.32 0.00 0.00 178.16 177.21 2pkj h ARG 70 N 0.48 0.21 -0.65 1.82 2.43 -0.85 -0.32 114.38 117.49 2pkj h ARG 70 Ca 0.13 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2pkj h ARG 70 Cb -0.00 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2pkj h ARG 70 CO -0.02 0.14 0.38 1.49 -1.51 0.00 0.00 179.97 180.44 2pkj h GLU 71 N 0.21 0.69 -0.16 0.20 4.81 -0.65 -0.88 114.58 118.80 2pkj h GLU 71 Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2pkj h GLU 71 Cb 0.12 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2pkj h GLU 71 CO -0.15 0.46 -0.06 1.25 -0.73 0.00 0.00 179.01 179.78 2pkj h LEU 72 N 0.71 0.33 -0.42 1.64 6.46 -0.98 -1.81 115.31 121.23 2pkj h LEU 72 Ca 0.28 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2pkj h LEU 72 Cb 0.12 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2pkj h LEU 72 CO -0.15 0.65 0.22 0.03 -0.62 0.00 0.00 178.44 178.57 2pkj h ARG 73 N 0.01 0.44 0.47 1.25 2.47 -0.85 -1.22 114.38 116.95 2pkj h ARG 73 Ca 0.04 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2pkj h ARG 73 Cb 0.51 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2pkj h ARG 73 CO 0.02 0.29 -0.28 -0.07 0.56 0.00 0.00 179.97 180.49 2pkj h LEU 74 N 0.45 -0.69 -1.28 3.04 3.38 -1.14 -2.24 115.31 116.84 2pkj h LEU 74 Ca 0.17 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2pkj h LEU 74 Cb 0.06 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2pkj h LEU 74 CO -0.11 -0.45 0.53 -0.07 0.09 0.00 0.00 178.44 178.44 2pkj h LEU 75 N -0.71 0.75 -1.34 1.67 3.38 -1.24 -0.84 115.31 116.98 2pkj h LEU 75 Ca -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2pkj h LEU 75 Cb 0.57 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2pkj h LEU 75 CO 0.06 0.47 -0.14 0.11 0.09 0.00 0.00 178.44 179.03 2pkj h LYS 76 N 0.85 0.00 0.16 1.13 1.57 -1.04 -2.88 116.57 116.35 2pkj h LYS 76 Ca 0.36 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.82 2pkj h LYS 76 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2pkj h LYS 76 CO -0.14 0.14 -1.56 1.25 -0.57 0.00 0.00 179.45 178.57 2pkj h HIS 77 N 0.00 0.60 -2.05 -1.35 2.76 -0.55 -3.46 115.15 111.10 2pkj h HIS 77 Ca -0.00 -0.44 -0.54 0.00 -2.20 0.00 0.00 60.37 57.19 2pkj h HIS 77 Cb 0.62 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2pkj h HIS 77 CO 0.00 1.48 1.47 -1.64 -1.30 0.00 0.00 177.93 177.93 2pkj s MET 78 N -2.61 2.84 -0.54 5.26 -1.94 -0.97 -4.90 119.30 116.45 2pkj s MET 78 Ca -0.10 1.56 0.05 0.00 -1.71 0.00 0.00 55.69 55.49 2pkj s MET 78 Cb 0.06 -4.39 0.17 0.00 2.01 0.00 0.00 34.83 32.68 2pkj s MET 78 CO 0.87 -2.44 0.42 1.63 -0.01 0.00 0.00 175.02 175.49 2pkj n LYS 79 N 8.80 0.93 -3.68 2.03 5.02 -1.26 -4.32 118.16 125.67 2pkj n LYS 79 Ca 0.29 -3.75 -0.14 0.00 -2.02 0.00 0.00 58.31 52.69 2pkj n LYS 79 Cb 0.49 -1.92 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2pkj n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pkj s HIS 80 N -0.66 -0.41 0.44 2.13 2.46 -1.26 -5.03 115.29 112.95 2pkj s HIS 80 Ca 0.30 0.81 0.11 0.00 0.47 0.00 0.00 55.06 56.75 2pkj s HIS 80 Cb 0.01 0.20 0.98 0.00 -0.13 0.00 0.00 32.58 33.65 2pkj s HIS 80 CO -0.18 -0.40 2.06 0.93 -2.47 0.00 0.00 174.74 174.67 2pkj h GLU 81 N 4.14 0.40 -0.54 2.88 5.08 -1.97 -2.48 114.58 122.10 2pkj h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2pkj h GLU 81 Cb 1.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2pkj h GLU 81 CO 0.33 0.26 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 2pkj n ASN 82 N -4.48 4.64 -3.99 1.42 4.13 -1.26 -4.75 115.26 110.96 2pkj n ASN 82 Ca 0.04 -2.61 -0.23 0.00 1.68 0.00 0.00 54.58 53.46 2pkj n ASN 82 Cb 0.15 -0.56 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 2pkj n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2pkj s VAL 83 N -2.13 0.97 0.15 2.41 1.01 -0.93 -0.71 120.40 121.17 2pkj s VAL 83 Ca 0.48 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 2pkj s VAL 83 Cb 0.33 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2pkj s VAL 83 CO 0.19 0.32 1.43 -0.51 0.00 0.00 0.00 175.10 176.53 2pkj s ILE 84 N 0.67 3.06 0.48 2.22 1.10 -0.69 -4.40 121.20 123.64 2pkj s ILE 84 Ca -0.13 0.78 0.04 0.00 -0.51 0.00 0.00 60.65 60.84 2pkj s ILE 84 Cb -0.15 -3.50 -0.02 0.00 0.15 0.00 0.00 42.46 38.94 2pkj s ILE 84 CO 0.03 0.07 0.13 -0.83 -2.11 0.00 0.00 174.94 172.23 2pkj s GLY 85 N 0.95 2.65 -0.36 1.50 0.00 -1.26 -4.82 107.32 105.98 2pkj s GLY 85 Ca 0.64 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 2pkj s GLY 85 CO 0.33 -2.06 0.85 -2.27 0.00 0.00 0.00 173.10 169.95 2pkj s LEU 86 N -3.95 4.06 0.04 0.66 0.20 -1.09 -4.64 118.68 113.97 2pkj s LEU 86 Ca 0.24 0.49 -0.07 0.00 0.69 0.00 0.00 54.13 55.49 2pkj s LEU 86 Cb 0.02 -3.14 -0.30 0.00 -0.43 0.00 0.00 46.19 42.34 2pkj s LEU 86 CO 0.14 -0.78 1.02 -0.07 -0.29 0.00 0.00 176.35 176.37 2pkj h LEU 87 N 9.87 0.51 -7.00 -0.68 4.07 -1.18 -3.42 115.31 117.47 2pkj h LEU 87 Ca -0.24 -0.59 0.13 0.00 0.08 0.00 0.00 57.88 57.27 2pkj h LEU 87 Cb 1.09 -0.17 -0.20 0.00 1.08 0.00 0.00 40.66 42.46 2pkj h LEU 87 CO 0.94 1.47 0.61 -0.62 -1.08 0.00 0.00 178.44 179.76 2pkj s ASP 88 N -7.20 -0.30 -0.10 -0.43 3.68 -0.99 -4.56 116.67 106.77 2pkj s ASP 88 Ca -0.07 0.19 -0.05 0.00 2.13 0.00 0.00 52.55 54.76 2pkj s ASP 88 Cb 0.06 0.28 0.05 0.00 -1.45 0.00 0.00 42.92 41.86 2pkj s ASP 88 CO 0.89 -0.38 0.23 0.54 0.13 0.00 0.00 175.17 176.58 2pkj s VAL 89 N -1.90 -0.05 0.22 1.11 0.11 -1.26 0.33 120.40 118.96 2pkj s VAL 89 Ca 0.03 0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.15 2pkj s VAL 89 Cb -0.01 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2pkj s VAL 89 CO -0.03 0.06 0.33 0.72 -3.33 0.00 0.00 175.10 172.86 2pkj s PHE 90 N 1.26 0.64 -0.07 1.54 -0.12 -0.89 -4.99 117.98 115.34 2pkj s PHE 90 Ca -0.09 -0.95 -0.06 0.00 -0.05 0.00 0.00 56.93 55.78 2pkj s PHE 90 Cb -0.11 -0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 2pkj s PHE 90 CO -0.08 -0.84 0.19 -0.08 -0.05 0.00 0.00 175.22 174.36 2pkj s THR 91 N -4.06 -0.01 0.41 -4.49 -1.32 -1.26 -1.91 115.64 103.00 2pkj s THR 91 Ca 0.27 0.05 0.29 0.00 -1.21 0.00 0.00 61.69 61.09 2pkj s THR 91 Cb 0.02 -0.28 0.31 0.00 -1.51 0.00 0.00 72.50 71.05 2pkj s THR 91 CO 0.09 0.02 2.09 -0.65 -2.21 0.00 0.00 174.62 173.95 2pkj h PRO 92 N 6.25 0.00 -6.57 7.08 0.11 -1.83 -3.44 132.00 133.60 2pkj h PRO 92 Ca -0.30 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.28 2pkj h PRO 92 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2pkj h PRO 92 CO 0.39 0.10 0.60 0.00 -0.21 0.00 0.00 178.00 178.88 2pkj s ALA 93 N -4.16 3.45 -0.01 -0.75 0.00 -1.26 -5.04 121.76 114.00 2pkj s ALA 93 Ca -0.03 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 2pkj s ALA 93 Cb 0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2pkj s ALA 93 CO 0.57 -0.45 0.27 1.03 0.00 0.00 0.00 175.76 177.18 2pkj s ARG 94 N 0.55 3.61 0.50 0.00 0.52 -1.26 -4.84 118.95 118.02 2pkj s ARG 94 Ca 0.58 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2pkj s ARG 94 Cb -0.32 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.04 2pkj s ARG 94 CO 0.32 0.66 0.00 -1.13 0.02 0.00 0.00 175.30 175.18 2pkj n SER 95 N 1.29 -6.76 0.24 0.23 3.41 -1.26 -4.01 113.62 106.75 2pkj n SER 95 Ca -0.12 1.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.98 2pkj n SER 95 Cb 0.53 -4.02 0.57 0.00 -0.26 0.00 0.00 64.21 61.03 2pkj n SER 95 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2pkj h LEU 96 N -0.32 0.00 0.04 1.04 5.85 -1.97 -3.12 115.31 116.84 2pkj h LEU 96 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2pkj h LEU 96 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2pkj h LEU 96 CO 0.02 0.14 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.88 2pkj h GLU 97 N 0.00 -0.11 -0.00 1.25 3.07 -2.00 -2.55 114.58 114.23 2pkj h GLU 97 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2pkj h GLU 97 Cb 0.27 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2pkj h GLU 97 CO 0.02 -0.08 -0.00 0.39 -1.40 0.00 0.00 179.01 177.94 2pkj n GLU 98 N -5.16 1.09 -1.91 2.33 1.02 -1.18 -4.82 120.64 111.99 2pkj n GLU 98 Ca -0.07 -0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 2pkj n GLU 98 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 2pkj n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2pkj s PHE 99 N -2.01 1.66 0.00 -0.32 5.36 -0.96 -4.63 117.98 117.07 2pkj s PHE 99 Ca 0.46 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2pkj s PHE 99 Cb 0.22 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 2pkj s PHE 99 CO 0.37 -3.16 0.00 -1.71 -1.46 0.00 0.00 175.22 169.26 2pkj n ASN 100 N 10.76 0.00 -4.24 6.13 4.05 -1.26 -5.06 115.26 125.64 2pkj n ASN 100 Ca 0.24 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 55.04 2pkj n ASN 100 Cb 0.47 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.34 2pkj n ASN 100 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2pkj s ASP 101 N 0.00 2.32 -0.05 1.20 1.01 -1.26 -4.72 116.67 115.17 2pkj s ASP 101 Ca 0.00 -0.56 0.01 0.00 0.71 0.00 0.00 52.55 52.71 2pkj s ASP 101 Cb 0.00 -0.16 0.02 0.00 1.01 0.00 0.00 42.92 43.79 2pkj s ASP 101 CO 0.00 0.10 -0.07 -0.69 0.21 0.00 0.00 175.17 174.72 2pkj s VAL 102 N -0.93 0.74 -0.06 -1.27 1.01 -1.26 -4.61 120.40 114.02 2pkj s VAL 102 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2pkj s VAL 102 Cb -0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2pkj s VAL 102 CO 0.02 0.27 -0.23 -0.31 0.00 0.00 0.00 175.10 174.85 2pkj s TYR 103 N 0.82 2.25 -0.12 5.22 1.51 -0.80 -1.81 117.35 124.41 2pkj s TYR 103 Ca -0.13 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 2pkj s TYR 103 Cb -0.15 -1.49 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2pkj s TYR 103 CO 0.01 -0.23 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.52 2pkj s LEU 104 N -0.05 2.28 -0.16 -1.29 1.43 -0.10 -2.10 118.68 118.69 2pkj s LEU 104 Ca -0.05 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2pkj s LEU 104 Cb -0.14 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2pkj s LEU 104 CO 0.04 0.14 -0.04 -0.69 0.23 0.00 0.00 176.35 176.03 2pkj s VAL 105 N 0.49 3.80 0.22 -1.59 1.01 0.15 -0.83 120.40 123.66 2pkj s VAL 105 Ca -0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2pkj s VAL 105 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2pkj s VAL 105 CO 0.05 0.48 0.12 0.28 0.00 0.00 0.00 175.10 176.03 2pkj s THR 106 N 0.53 0.18 0.23 3.92 -1.32 -0.38 -0.54 115.64 118.27 2pkj s THR 106 Ca -0.03 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.15 2pkj s THR 106 Cb -0.14 -2.54 -0.09 0.00 -1.51 0.00 0.00 72.50 68.21 2pkj s THR 106 CO 0.03 -0.00 1.31 -1.00 -2.21 0.00 0.00 174.62 172.75 2pkj s HIS 107 N -4.03 3.22 -0.60 9.09 3.76 -1.26 -0.64 115.29 124.82 2pkj s HIS 107 Ca 0.39 1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 56.38 2pkj s HIS 107 Cb 0.07 -3.62 0.12 0.00 1.11 0.00 0.00 32.58 30.26 2pkj s HIS 107 CO 0.13 -1.88 0.67 -1.17 -0.85 0.00 0.00 174.74 171.63 2pkj s LEU 108 N -0.49 5.70 0.30 0.89 2.96 -1.23 -4.62 118.68 122.19 2pkj s LEU 108 Ca 0.55 -1.64 0.11 0.00 -0.22 0.00 0.00 54.13 52.93 2pkj s LEU 108 Cb -0.37 -2.27 0.47 0.00 0.50 0.00 0.00 46.19 44.51 2pkj s LEU 108 CO 0.41 -1.01 1.68 0.24 -1.32 0.00 0.00 176.35 176.35 2pkj h MET 109 N 9.00 0.02 0.00 1.98 2.86 -1.93 -3.46 114.93 123.40 2pkj h MET 109 Ca -0.25 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2pkj h MET 109 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2pkj h MET 109 CO 1.06 0.55 0.00 0.41 1.06 0.00 0.00 176.91 179.99 2pkj n GLY 110 N 0.01 0.88 3.49 8.32 0.00 -1.26 -4.26 105.19 112.36 2pkj n GLY 110 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 2pkj n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkj s ALA 111 N -1.10 -1.73 0.32 4.61 0.00 -1.24 -5.06 121.76 117.55 2pkj s ALA 111 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2pkj s ALA 111 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2pkj s ALA 111 CO 0.00 -0.52 0.30 0.16 0.00 0.00 0.00 175.76 175.69 2pkj s ASP 112 N -1.80 5.44 0.56 0.00 3.84 -1.26 -0.50 116.67 122.95 2pkj s ASP 112 Ca -0.05 -0.40 0.27 0.00 -0.00 0.00 0.00 52.55 52.37 2pkj s ASP 112 Cb -0.00 -1.11 1.47 0.00 -1.38 0.00 0.00 42.92 41.90 2pkj s ASP 112 CO 0.00 -0.29 2.00 0.25 -0.00 0.00 0.00 175.17 177.13 2pkj h LEU 113 N 1.25 0.00 -0.82 2.11 5.85 -0.51 -0.78 115.31 122.40 2pkj h LEU 113 Ca -0.46 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 2pkj h LEU 113 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2pkj h LEU 113 CO 0.58 0.00 0.20 -1.13 -0.34 0.00 0.00 178.44 177.75 2pkj h ASN 114 N 0.00 1.01 -0.11 1.25 -0.73 -1.84 -2.33 115.58 112.82 2pkj h ASN 114 Ca 0.20 -0.19 -0.18 0.00 1.87 0.00 0.00 56.30 58.01 2pkj h ASN 114 Cb 0.92 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 39.24 2pkj h ASN 114 CO -0.00 0.95 -0.56 0.78 -0.37 0.00 0.00 177.43 178.23 2pkj h ASN 115 N 1.03 0.79 -0.63 1.15 4.21 -1.51 -3.08 115.58 117.54 2pkj h ASN 115 Ca 0.22 -0.43 -0.00 0.00 1.21 0.00 0.00 56.30 57.30 2pkj h ASN 115 Cb 0.32 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2pkj h ASN 115 CO -0.00 1.18 0.37 0.40 -1.29 0.00 0.00 177.43 178.09 2pkj h ILE 116 N 0.54 1.19 -0.09 2.81 1.08 -1.22 -3.03 117.51 118.80 2pkj h ILE 116 Ca 0.01 -0.42 -0.13 0.00 -0.39 0.00 0.00 64.86 63.92 2pkj h ILE 116 Cb 1.14 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2pkj h ILE 116 CO 0.11 0.19 -0.54 0.58 -0.69 0.00 0.00 178.15 177.81 2pkj h VAL 117 N 0.85 1.36 -0.63 1.67 2.07 -1.47 -2.48 116.25 117.62 2pkj h VAL 117 Ca 0.22 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 2pkj h VAL 117 Cb -0.01 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2pkj h VAL 117 CO -0.04 0.54 0.34 0.11 0.02 0.00 0.00 177.57 178.54 2pkj h LYS 118 N 0.20 0.88 0.00 1.57 1.57 -1.44 -3.39 116.57 115.95 2pkj h LYS 118 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2pkj h LYS 118 Cb 1.01 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2pkj h LYS 118 CO 0.08 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 2pkj s GLN 120 N -0.34 4.12 -0.62 0.00 -0.21 -0.93 -4.96 119.66 116.72 2pkj s GLN 120 Ca 0.00 2.57 -0.17 0.00 0.02 0.00 0.00 55.36 57.78 2pkj s GLN 120 Cb 0.00 -3.01 0.13 0.00 1.00 0.00 0.00 33.01 31.13 2pkj s GLN 120 CO 0.00 -0.60 0.66 0.21 -2.12 0.00 0.00 175.29 173.44 2pkj s LYS 121 N -0.97 3.13 0.29 2.91 2.47 -1.26 -4.47 119.74 121.84 2pkj s LYS 121 Ca 0.60 -1.64 -0.30 0.00 -1.56 0.00 0.00 55.97 53.07 2pkj s LYS 121 Cb -0.47 -4.33 -0.12 0.00 -1.46 0.00 0.00 37.83 31.44 2pkj s LYS 121 CO 0.52 -1.44 1.46 1.28 0.16 0.00 0.00 175.35 177.34 2pkj n LEU 122 N 5.62 3.77 -4.93 5.43 4.77 -1.26 -5.02 117.00 125.38 2pkj n LEU 122 Ca -0.06 1.16 -0.27 0.00 -0.03 0.00 0.00 56.01 56.80 2pkj n LEU 122 Cb 0.42 -1.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.11 2pkj n LEU 122 CO 0.53 -0.20 0.72 0.42 -1.33 0.00 0.00 177.39 177.53 2pkj s THR 123 N -0.29 2.12 0.39 -5.08 -4.23 -1.26 -4.89 115.64 102.40 2pkj s THR 123 Ca 0.63 -0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.08 2pkj s THR 123 Cb -0.57 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.48 2pkj s THR 123 CO 0.52 0.00 1.90 -0.78 -0.54 0.00 0.00 174.62 175.72 2pkj h ASP 124 N -0.99 0.10 -0.15 3.99 3.58 -1.97 -2.36 116.42 118.62 2pkj h ASP 124 Ca -0.44 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 56.86 2pkj h ASP 124 Cb 1.29 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 2pkj h ASP 124 CO 0.52 0.34 -0.35 -0.78 -2.88 0.00 0.00 179.24 176.09 2pkj h ASP 125 N 0.10 0.69 -0.27 2.28 1.82 -1.99 -1.84 116.42 117.20 2pkj h ASP 125 Ca 0.02 -0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.32 2pkj h ASP 125 Cb 0.47 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2pkj h ASP 125 CO 0.03 0.98 -0.02 0.45 -1.61 0.00 0.00 179.24 179.07 2pkj h HIS 126 N 0.55 0.54 -0.59 0.28 3.86 -1.82 -1.96 115.15 116.02 2pkj h HIS 126 Ca 0.06 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 2pkj h HIS 126 Cb 0.86 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 2pkj h HIS 126 CO 0.04 0.66 0.18 -0.39 0.86 0.00 0.00 177.93 179.28 2pkj h VAL 127 N 0.27 1.23 -0.26 2.45 -1.51 -1.34 0.11 116.25 117.19 2pkj h VAL 127 Ca 0.07 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 2pkj h VAL 127 Cb 0.46 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2pkj h VAL 127 CO 0.02 0.30 0.14 1.56 -1.23 0.00 0.00 177.57 178.36 2pkj h GLN 128 N 0.86 0.37 -0.28 5.19 4.20 -1.18 -0.11 115.11 124.16 2pkj h GLN 128 Ca 0.19 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 2pkj h GLN 128 Cb 0.26 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2pkj h GLN 128 CO -0.01 0.34 -0.08 0.35 -0.67 0.00 0.00 178.83 178.76 2pkj h PHE 129 N 0.31 0.62 0.03 2.96 3.57 -1.09 -0.41 116.94 122.92 2pkj h PHE 129 Ca 0.09 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2pkj h PHE 129 Cb 0.08 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2pkj h PHE 129 CO -0.03 0.76 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.73 2pkj h LEU 130 N 0.30 -0.03 -0.70 0.59 4.07 -0.68 -1.86 115.31 116.99 2pkj h LEU 130 Ca 0.07 -0.17 -0.11 0.00 0.08 0.00 0.00 57.88 57.75 2pkj h LEU 130 Cb 0.57 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 2pkj h LEU 130 CO 0.03 0.15 -0.17 0.40 -1.08 0.00 0.00 178.44 177.77 2pkj h ILE 131 N -0.21 1.27 -0.45 1.22 1.08 -1.07 -2.17 117.51 117.17 2pkj h ILE 131 Ca -0.00 -1.28 0.04 0.00 -0.39 0.00 0.00 64.86 63.23 2pkj h ILE 131 Cb 0.20 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 2pkj h ILE 131 CO 0.01 0.43 0.22 0.22 -0.69 0.00 0.00 178.15 178.34 2pkj h TYR 132 N 0.73 0.41 -0.70 1.37 3.20 -0.99 -0.51 116.97 120.47 2pkj h TYR 132 Ca 0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2pkj h TYR 132 Cb 0.68 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2pkj h TYR 132 CO 0.04 0.21 0.20 1.96 -1.64 0.00 0.00 178.16 178.92 2pkj h GLN 133 N 0.45 1.10 -0.27 1.82 4.20 -1.14 0.39 115.11 121.65 2pkj h GLN 133 Ca 0.20 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2pkj h GLN 133 Cb 0.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2pkj h GLN 133 CO -0.14 0.95 0.15 0.82 -0.67 0.00 0.00 178.83 179.94 2pkj h ILE 134 N 1.05 1.11 -0.25 2.54 2.04 -0.80 -1.10 117.51 122.11 2pkj h ILE 134 Ca 0.22 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 2pkj h ILE 134 Cb 0.33 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2pkj h ILE 134 CO -0.00 0.11 -0.17 -0.07 0.00 0.00 0.00 178.15 178.02 2pkj h LEU 135 N 0.33 0.41 -0.26 1.44 3.38 -0.85 0.68 115.31 120.45 2pkj h LEU 135 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2pkj h LEU 135 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2pkj h LEU 135 CO -0.02 0.61 -0.15 -0.09 0.09 0.00 0.00 178.44 178.88 2pkj h ARG 136 N 0.39 0.57 -0.79 1.13 2.43 -0.57 0.80 114.38 118.34 2pkj h ARG 136 Ca 0.07 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2pkj h ARG 136 Cb 0.53 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2pkj h ARG 136 CO 0.03 0.83 0.36 0.78 -1.51 0.00 0.00 179.97 180.47 2pkj h GLY 137 N 0.30 1.22 1.14 2.80 0.00 -1.06 -3.01 103.07 104.46 2pkj h GLY 137 Ca 0.06 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 2pkj h GLY 137 CO 0.04 0.58 -0.02 -2.00 0.00 0.00 0.00 176.54 175.14 2pkj h LEU 138 N 1.12 1.00 -0.82 3.11 5.85 -0.52 -0.84 115.31 124.22 2pkj h LEU 138 Ca 0.27 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2pkj h LEU 138 Cb 0.13 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2pkj h LEU 138 CO -0.03 1.07 0.50 0.50 -0.34 0.00 0.00 178.44 180.13 2pkj h LYS 139 N 0.93 0.89 0.08 1.25 3.64 -0.77 0.14 116.57 122.73 2pkj h LYS 139 Ca 0.16 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2pkj h LYS 139 Cb 0.57 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2pkj h LYS 139 CO 0.03 0.59 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.84 2pkj h TYR 140 N 0.91 -0.10 -0.12 1.91 3.20 -1.33 -1.68 116.97 119.76 2pkj h TYR 140 Ca 0.36 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2pkj h TYR 140 Cb 0.17 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2pkj h TYR 140 CO -0.04 0.18 -0.03 0.82 -1.64 0.00 0.00 178.16 177.45 2pkj h ILE 141 N -0.38 0.88 0.00 1.81 2.04 -0.80 -2.65 117.51 118.41 2pkj h ILE 141 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2pkj h ILE 141 Cb 0.33 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2pkj h ILE 141 CO 0.02 0.00 -0.14 0.45 0.00 0.00 0.00 178.15 178.48 2pkj h HIS 142 N -0.00 0.00 0.00 1.37 3.86 -0.73 -1.74 115.15 117.91 2pkj h HIS 142 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2pkj h HIS 142 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2pkj h HIS 142 CO -0.16 0.14 0.00 0.66 0.86 0.00 0.00 177.93 179.43 2pkj h SER 143 N 0.00 0.00 -0.55 2.45 4.64 -0.93 -1.53 113.55 117.64 2pkj h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pkj h SER 143 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2pkj h SER 143 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2pkj n ALA 144 N -1.85 2.41 -3.38 5.18 0.00 -0.68 -4.71 120.51 117.48 2pkj n ALA 144 Ca 0.02 -1.01 -0.20 0.00 0.00 0.00 0.00 53.44 52.25 2pkj n ALA 144 Cb 0.26 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.82 2pkj n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pkj n ASP 145 N 1.23 -5.72 -4.40 0.00 4.64 -0.57 -4.26 116.55 107.46 2pkj n ASP 145 Ca 0.20 -0.44 -0.32 0.00 -1.38 0.00 0.00 54.79 52.84 2pkj n ASP 145 Cb 0.51 -4.35 -0.14 0.00 -1.04 0.00 0.00 41.12 36.09 2pkj n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2pkj s ILE 146 N -3.25 2.82 -0.12 5.18 1.01 -1.09 -5.04 121.20 120.72 2pkj s ILE 146 Ca 0.48 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 2pkj s ILE 146 Cb -0.21 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2pkj s ILE 146 CO 0.59 0.57 -0.07 -0.63 0.00 0.00 0.00 174.94 175.40 2pkj s ILE 147 N -0.36 3.63 0.02 2.92 1.01 -1.26 -3.71 121.20 123.46 2pkj s ILE 147 Ca 0.03 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 2pkj s ILE 147 Cb -0.12 -2.53 -0.18 0.00 0.01 0.00 0.00 42.46 39.64 2pkj s ILE 147 CO 0.02 0.54 1.42 -0.74 0.00 0.00 0.00 174.94 176.18 2pkj h HIS 148 N 6.15 -0.14 0.00 3.97 -0.00 -1.92 -3.01 115.15 120.19 2pkj h HIS 148 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2pkj h HIS 148 Cb 1.19 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2pkj h HIS 148 CO 0.54 0.14 0.00 0.54 -0.00 0.00 0.00 177.93 179.15 2pkj n ARG 149 N -5.03 0.00 -2.70 5.26 1.74 -1.26 -3.22 116.66 111.45 2pkj n ARG 149 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2pkj n ARG 149 Cb 0.19 -1.27 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 2pkj n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pkj n ASP 150 N 0.00 -0.00 -4.70 0.55 4.64 -1.26 -4.98 116.55 110.79 2pkj n ASP 150 Ca 0.00 -2.66 -0.42 0.00 -1.38 0.00 0.00 54.79 50.33 2pkj n ASP 150 Cb 0.00 0.14 -0.03 0.00 -1.04 0.00 0.00 41.12 40.20 2pkj n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pkj s LEU 151 N -3.10 4.34 0.14 -2.67 2.96 -1.26 -4.90 118.68 114.20 2pkj s LEU 151 Ca 0.25 2.06 -0.24 0.00 -0.22 0.00 0.00 54.13 55.99 2pkj s LEU 151 Cb 0.43 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.61 2pkj s LEU 151 CO -0.02 -0.59 0.70 -1.59 -1.32 0.00 0.00 176.35 173.53 2pkj s LYS 152 N 1.63 1.26 0.36 1.98 -2.85 -1.26 -4.82 119.74 116.05 2pkj s LYS 152 Ca 0.61 -0.53 0.15 0.00 -1.00 0.00 0.00 55.97 55.19 2pkj s LYS 152 Cb -0.30 0.54 1.01 0.00 -2.06 0.00 0.00 37.83 37.01 2pkj s LYS 152 CO 0.27 -0.56 1.76 -1.35 0.10 0.00 0.00 175.35 175.57 2pkj h PRO 153 N 2.00 0.47 0.00 1.78 0.11 -1.94 0.57 132.00 134.99 2pkj h PRO 153 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pkj h PRO 153 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pkj h PRO 153 CO 0.33 0.31 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 2pkj n SER 154 N -4.72 0.13 -1.46 -2.05 3.41 -1.26 -1.98 113.62 105.68 2pkj n SER 154 Ca 0.26 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.48 2pkj n SER 154 Cb 0.81 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 64.54 2pkj n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2pkj n ASN 155 N -1.64 4.57 -3.92 4.04 5.03 0.19 -4.83 115.26 118.70 2pkj n ASN 155 Ca 0.04 -2.45 -0.30 0.00 0.87 0.00 0.00 54.58 52.73 2pkj n ASN 155 Cb 0.23 -0.55 -0.15 0.00 -1.02 0.00 0.00 39.78 38.28 2pkj n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pkj s LEU 156 N -1.85 3.07 0.08 3.41 1.43 -0.84 0.01 118.68 123.99 2pkj s LEU 156 Ca 0.48 -1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 2pkj s LEU 156 Cb 0.31 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 2pkj s LEU 156 CO 0.23 -0.31 0.71 0.00 0.23 0.00 0.00 176.35 177.21 2pkj s ALA 157 N 1.31 3.45 -0.02 4.21 0.00 -0.20 -0.37 121.76 130.13 2pkj s ALA 157 Ca 0.01 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2pkj s ALA 157 Cb -0.19 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2pkj s ALA 157 CO -0.11 0.20 -0.04 0.08 0.00 0.00 0.00 175.76 175.90 2pkj s VAL 158 N -0.57 0.40 0.07 0.00 1.01 0.35 -0.74 120.40 120.92 2pkj s VAL 158 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2pkj s VAL 158 Cb -0.21 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2pkj s VAL 158 CO 0.22 0.16 0.10 -0.46 0.00 0.00 0.00 175.10 175.12 2pkj n ASN 159 N 3.61 0.18 0.11 3.32 0.23 -0.63 -3.63 115.26 118.44 2pkj n ASN 159 Ca -0.21 -1.14 0.16 0.00 -0.53 0.00 0.00 54.58 52.86 2pkj n ASN 159 Cb 0.54 -0.06 0.68 0.00 -2.08 0.00 0.00 39.78 38.86 2pkj n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2pkj h GLU 160 N 0.00 0.00 -0.61 -3.83 4.11 -1.90 0.56 114.58 112.91 2pkj h GLU 160 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2pkj h GLU 160 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2pkj h GLU 160 CO 0.04 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.87 2pkj n ASP 161 N -4.39 3.39 -2.26 3.06 10.43 -1.26 -4.88 116.55 120.63 2pkj n ASP 161 Ca 0.05 -2.31 -0.19 0.00 2.57 0.00 0.00 54.79 54.90 2pkj n ASP 161 Cb 0.40 -0.48 -0.02 0.00 1.84 0.00 0.00 41.12 42.86 2pkj n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pkj s GLU 163 N -4.81 4.79 0.10 0.00 2.02 -1.26 -4.77 118.70 114.77 2pkj s GLU 163 Ca 0.00 1.51 0.10 0.00 0.02 0.00 0.00 54.97 56.60 2pkj s GLU 163 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2pkj s GLU 163 CO 0.00 0.40 -0.24 -1.17 0.02 0.00 0.00 175.26 174.27 2pkj s LEU 164 N -0.87 2.39 -0.03 1.80 0.20 -1.26 -1.61 118.68 119.30 2pkj s LEU 164 Ca 0.43 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2pkj s LEU 164 Cb -0.26 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.18 2pkj s LEU 164 CO 0.32 0.21 -0.05 -0.54 -0.29 0.00 0.00 176.35 176.00 2pkj s LYS 165 N -1.79 0.70 -0.07 1.98 1.02 0.08 -4.35 119.74 117.30 2pkj s LYS 165 Ca 0.14 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.76 2pkj s LYS 165 Cb -0.10 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.46 2pkj s LYS 165 CO 0.06 -0.02 0.77 0.42 -0.92 0.00 0.00 175.35 175.65 2pkj s ILE 166 N 0.62 4.99 0.13 2.17 1.01 0.11 -1.03 121.20 129.20 2pkj s ILE 166 Ca -0.08 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.18 2pkj s ILE 166 Cb -0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2pkj s ILE 166 CO 0.00 0.20 0.16 -0.76 0.00 0.00 0.00 174.94 174.53 2pkj s LEU 167 N 1.08 3.94 -1.77 2.97 1.02 0.10 -1.70 118.68 124.33 2pkj s LEU 167 Ca 0.40 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.53 2pkj s LEU 167 Cb -0.18 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.47 2pkj s LEU 167 CO 0.19 0.10 0.00 0.47 0.02 0.00 0.00 176.35 177.13 2pkj n ASP 168 N -0.14 -5.53 -4.68 2.29 8.00 -1.26 -4.87 116.55 110.35 2pkj n ASP 168 Ca -0.08 0.12 -0.44 0.00 0.71 0.00 0.00 54.79 55.10 2pkj n ASP 168 Cb 0.54 -4.67 -0.04 0.00 -0.02 0.00 0.00 41.12 36.92 2pkj n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pkj n ALA 169 N -1.34 1.73 -0.87 2.24 0.00 -1.26 -2.23 120.51 118.79 2pkj n ALA 169 Ca -0.23 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2pkj n ALA 169 Cb 0.67 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2pkj n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkj n GLY 170 N 4.11 0.67 0.13 0.00 0.00 -1.14 -4.92 105.19 104.04 2pkj n GLY 170 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2pkj n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pkj h LEU 171 N 0.00 0.41 0.00 0.99 5.85 -1.63 -3.49 115.31 117.44 2pkj h LEU 171 Ca 0.00 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.86 2pkj h LEU 171 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2pkj h LEU 171 CO 0.00 1.63 0.00 0.00 -0.34 0.00 0.00 178.44 179.73 2pkj n ALA 172 N -2.95 0.00 0.00 1.25 0.00 -1.26 -5.03 120.51 112.52 2pkj n ALA 172 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2pkj n ALA 172 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2pkj n ALA 172 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pkj n THR 185 N 0.00 0.00 -0.24 0.00 -2.24 -1.26 -5.09 114.28 105.46 2pkj n THR 185 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2pkj n THR 185 Cb 0.00 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 2pkj n THR 185 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2pkj n ARG 186 N 0.00 2.86 0.30 -0.78 0.00 -1.26 -4.68 116.66 113.10 2pkj n ARG 186 Ca 0.00 -2.01 0.17 0.00 -0.00 0.00 0.00 57.85 56.01 2pkj n ARG 186 Cb 0.00 -1.27 0.96 0.00 -0.00 0.00 0.00 32.46 32.15 2pkj n ARG 186 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 2pkj h TRP 187 N 1.48 0.00 -0.24 2.89 6.55 -1.94 -2.84 115.95 121.85 2pkj h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2pkj h TRP 187 Cb 0.75 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.05 2pkj h TRP 187 CO 0.20 0.03 0.00 0.66 -1.05 0.00 0.00 178.44 178.28 2pkj n TYR 188 N -3.46 0.31 -2.77 0.49 4.02 -1.26 -4.59 117.16 109.90 2pkj n TYR 188 Ca -0.02 -0.42 -0.40 0.00 -0.01 0.00 0.00 57.90 57.04 2pkj n TYR 188 Cb 0.14 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 2pkj n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2pkj s ARG 189 N -0.96 4.82 0.33 -0.72 0.52 -1.07 -3.76 118.95 118.10 2pkj s ARG 189 Ca 0.17 1.45 -0.29 0.00 -0.52 0.00 0.00 55.73 56.55 2pkj s ARG 189 Cb 0.09 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 2pkj s ARG 189 CO 0.12 0.50 1.31 0.00 0.02 0.00 0.00 175.30 177.26 2pkj s ALA 190 N -1.09 3.50 0.40 2.13 0.00 -1.26 -4.86 121.76 120.58 2pkj s ALA 190 Ca 0.41 1.27 0.16 0.00 0.00 0.00 0.00 51.96 53.80 2pkj s ALA 190 Cb -0.25 -3.48 1.04 0.00 0.00 0.00 0.00 23.12 20.43 2pkj s ALA 190 CO 0.31 -0.65 1.82 -1.00 0.00 0.00 0.00 175.76 176.24 2pkj h PRO 191 N 3.40 0.44 -0.26 0.00 0.13 -1.95 0.06 132.00 133.82 2pkj h PRO 191 Ca -0.49 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 2pkj h PRO 191 Cb 1.23 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2pkj h PRO 191 CO 0.66 0.29 0.03 1.05 -0.23 0.00 0.00 178.00 179.79 2pkj h GLU 192 N 0.45 0.37 0.01 0.86 9.09 -1.92 0.34 114.58 123.79 2pkj h GLU 192 Ca 0.52 -0.06 -0.20 0.00 0.05 0.00 0.00 59.36 59.68 2pkj h GLU 192 Cb 1.24 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 2pkj h GLU 192 CO -0.24 0.38 -0.89 0.82 0.05 0.00 0.00 179.01 179.14 2pkj h ILE 193 N 0.37 1.52 -0.62 -1.06 2.04 -1.21 -2.98 117.51 115.58 2pkj h ILE 193 Ca 0.09 -2.70 -0.07 0.00 1.00 0.00 0.00 64.86 63.18 2pkj h ILE 193 Cb 0.21 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2pkj h ILE 193 CO 0.00 0.78 0.12 -0.03 0.00 0.00 0.00 178.15 179.03 2pkj h MET 194 N 0.08 1.00 -1.00 2.37 4.05 -0.66 -2.55 114.93 118.22 2pkj h MET 194 Ca -0.04 -0.26 -0.41 0.00 -0.28 0.00 0.00 59.70 58.71 2pkj h MET 194 Cb 1.53 -0.12 -0.24 0.00 -0.80 0.00 0.00 31.60 31.96 2pkj h MET 194 CO 0.13 0.93 0.52 1.28 0.23 0.00 0.00 176.91 180.01 2pkj n LEU 195 N -4.31 5.98 0.00 3.39 4.32 -0.01 -4.96 117.00 121.42 2pkj n LEU 195 Ca 0.03 -3.18 0.00 0.00 -0.02 0.00 0.00 56.01 52.84 2pkj n LEU 195 Cb 0.26 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 2pkj n LEU 195 CO 0.42 0.94 0.00 -3.20 -1.22 0.00 0.00 177.39 174.33 2pkj n ASN 196 N -0.79 0.00 -1.99 -1.43 4.05 -0.96 -4.88 115.26 109.26 2pkj n ASN 196 Ca 0.47 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.50 2pkj n ASN 196 Cb 1.41 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.42 2pkj n ASN 196 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 177.26 176.08 2pkj n TRP 197 N 0.00 -3.68 -2.10 1.20 -0.00 -1.18 -4.40 117.44 107.27 2pkj n TRP 197 Ca 0.00 2.22 -0.42 0.00 -0.00 0.00 0.00 57.50 59.30 2pkj n TRP 197 Cb 0.00 -2.85 -0.03 0.00 -0.00 0.00 0.00 31.31 28.43 2pkj n TRP 197 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 2pkj s MET 198 N -0.39 4.28 0.02 5.87 -1.94 -1.26 -4.55 119.30 121.33 2pkj s MET 198 Ca 0.00 2.15 0.00 0.00 -1.71 0.00 0.00 55.69 56.13 2pkj s MET 198 Cb 0.00 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.53 2pkj s MET 198 CO 0.00 -0.52 0.00 -2.39 -0.01 0.00 0.00 175.02 172.10 2pkj n HIS 199 N 4.31 -0.99 -4.45 -0.03 -0.00 -1.26 -5.05 115.22 107.74 2pkj n HIS 199 Ca 0.13 0.59 -0.22 0.00 -0.00 0.00 0.00 57.72 58.22 2pkj n HIS 199 Cb 0.41 -1.42 -0.10 0.00 -0.00 0.00 0.00 29.99 28.88 2pkj n HIS 199 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 2pkj s TYR 200 N -0.12 2.04 0.13 -1.40 1.13 -1.26 -5.17 117.35 112.70 2pkj s TYR 200 Ca 0.00 -0.66 0.01 0.00 -1.41 0.00 0.00 57.07 55.00 2pkj s TYR 200 Cb 0.00 -1.16 0.01 0.00 -1.10 0.00 0.00 41.96 39.70 2pkj s TYR 200 CO 0.00 0.33 0.06 0.27 -2.51 0.00 0.00 175.55 173.71 2pkj n ASN 201 N -0.62 1.78 0.18 -0.18 6.94 -1.26 -5.01 115.26 117.07 2pkj n ASN 201 Ca -0.05 -1.50 0.18 0.00 -0.02 0.00 0.00 54.58 53.19 2pkj n ASN 201 Cb 0.63 0.03 0.81 0.00 -2.36 0.00 0.00 39.78 38.89 2pkj n ASN 201 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2pkj h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -2.00 -2.35 115.11 111.12 2pkj h GLN 202 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2pkj h GLN 202 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2pkj h GLN 202 CO 0.15 0.00 0.11 1.79 -0.67 0.00 0.00 178.83 180.21 2pkj h THR 203 N 0.00 0.00 -0.09 -0.54 1.35 -1.95 -0.19 112.91 111.49 2pkj h THR 203 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.96 2pkj h THR 203 Cb 0.71 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 2pkj h THR 203 CO -0.00 0.00 -0.04 -0.37 -0.25 0.00 0.00 175.52 174.86 2pkj h VAL 204 N 0.00 1.09 -0.08 6.82 -1.51 -1.82 -1.79 116.25 118.96 2pkj h VAL 204 Ca 0.00 -0.35 -0.10 0.00 -1.23 0.00 0.00 66.70 65.01 2pkj h VAL 204 Cb 0.22 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 2pkj h VAL 204 CO 0.00 0.11 -0.42 0.44 -1.23 0.00 0.00 177.57 176.47 2pkj h ASP 205 N 0.13 0.18 -0.03 4.19 3.45 -1.28 -2.69 116.42 120.37 2pkj h ASP 205 Ca 0.03 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.31 2pkj h ASP 205 Cb 0.15 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 2pkj h ASP 205 CO 0.01 0.58 -0.30 0.40 -1.57 0.00 0.00 179.24 178.36 2pkj h ILE 206 N 0.14 1.28 -0.55 0.35 1.08 -1.46 -1.79 117.51 116.57 2pkj h ILE 206 Ca 0.01 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2pkj h ILE 206 Cb 0.81 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 2pkj h ILE 206 CO 0.06 0.43 0.33 -0.25 -0.69 0.00 0.00 178.15 178.03 2pkj h TRP 207 N 0.41 0.73 -0.63 1.37 2.91 -1.27 -1.14 115.95 118.32 2pkj h TRP 207 Ca 0.05 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.08 2pkj h TRP 207 Cb 0.73 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.11 2pkj h TRP 207 CO 0.02 0.50 0.41 0.77 -1.03 0.00 0.00 178.44 179.12 2pkj h SER 208 N 0.74 0.70 -0.69 2.65 0.02 -1.27 -2.00 113.55 113.70 2pkj h SER 208 Ca 0.20 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2pkj h SER 208 Cb -0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2pkj h SER 208 CO -0.04 0.50 0.42 0.58 -1.14 0.00 0.00 176.83 177.15 2pkj h VAL 209 N 0.83 1.20 -0.45 2.27 2.07 -0.85 -0.55 116.25 120.77 2pkj h VAL 209 Ca 0.24 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2pkj h VAL 209 Cb -0.06 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 2pkj h VAL 209 CO -0.07 0.20 0.10 1.23 0.02 0.00 0.00 177.57 179.05 2pkj h GLY 210 N 0.94 0.55 0.99 2.17 0.00 -0.63 0.28 103.07 107.37 2pkj h GLY 210 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2pkj h GLY 210 CO -0.05 -0.05 0.32 0.00 0.00 0.00 0.00 176.54 176.77 2pkj h ILE 212 N 0.84 0.97 -0.45 0.00 2.04 -0.61 -2.67 117.51 117.63 2pkj h ILE 212 Ca 0.21 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2pkj h ILE 212 Cb 0.07 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2pkj h ILE 212 CO -0.03 0.10 0.20 -0.03 0.00 0.00 0.00 178.15 178.38 2pkj h MET 213 N -0.36 0.39 -0.68 2.37 4.05 -0.32 -0.58 114.93 119.80 2pkj h MET 213 Ca -0.02 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.47 2pkj h MET 213 Cb 0.29 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.93 2pkj h MET 213 CO 0.03 0.26 0.32 0.00 0.23 0.00 0.00 176.91 177.74 2pkj h ALA 214 N 1.27 0.92 -0.28 0.39 0.00 -1.13 -1.85 119.26 118.57 2pkj h ALA 214 Ca 0.20 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2pkj h ALA 214 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pkj h ALA 214 CO -0.17 -0.08 -0.29 1.49 0.00 0.00 0.00 179.25 180.19 2pkj h GLU 215 N 0.55 0.57 0.00 0.00 4.81 -1.00 -1.37 114.58 118.14 2pkj h GLU 215 Ca 0.33 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2pkj h GLU 215 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2pkj h GLU 215 CO -0.27 0.80 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.42 2pkj h LEU 216 N 0.49 0.00 0.00 1.64 3.38 -0.37 0.37 115.31 120.83 2pkj h LEU 216 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pkj h LEU 216 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2pkj h LEU 216 CO 0.06 0.32 -0.00 -0.07 0.09 0.00 0.00 178.44 178.84 2pkj h LEU 217 N 0.00 -0.00 0.00 1.67 3.38 -1.00 -3.38 115.31 115.98 2pkj h LEU 217 Ca -0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 2pkj h LEU 217 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2pkj h LEU 217 CO 0.04 0.92 -0.59 0.71 0.09 0.00 0.00 178.44 179.61 2pkj h THR 218 N -0.92 0.12 0.00 0.22 1.35 -1.23 -3.48 112.91 108.97 2pkj h THR 218 Ca -0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2pkj h THR 218 Cb 0.91 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2pkj h THR 218 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2pkj n GLY 219 N 1.17 0.49 3.38 5.82 0.00 0.13 -5.03 105.19 111.16 2pkj n GLY 219 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2pkj n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkj s ARG 220 N -0.51 1.55 0.15 1.61 0.52 -1.24 -5.00 118.95 116.03 2pkj s ARG 220 Ca 0.00 -1.26 -0.31 0.00 -0.52 0.00 0.00 55.73 53.63 2pkj s ARG 220 Cb 0.00 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 2pkj s ARG 220 CO 0.00 0.47 1.58 0.99 0.02 0.00 0.00 175.30 178.37 2pkj s THR 221 N -0.99 2.68 0.06 0.02 2.01 -1.26 -4.06 115.64 114.11 2pkj s THR 221 Ca 0.14 0.45 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 2pkj s THR 221 Cb -0.10 -3.29 -0.17 0.00 0.01 0.00 0.00 72.50 68.95 2pkj s THR 221 CO 0.05 0.03 1.58 0.25 -0.69 0.00 0.00 174.62 175.84 2pkj h LEU 222 N 7.10 -0.36 -6.45 4.42 6.46 -1.92 -3.37 115.31 121.18 2pkj h LEU 222 Ca -0.43 -0.04 -0.60 0.00 -0.12 0.00 0.00 57.88 56.69 2pkj h LEU 222 Cb 1.20 0.09 -0.41 0.00 -0.73 0.00 0.00 40.66 40.82 2pkj h LEU 222 CO 0.92 -0.19 -0.73 0.49 -0.62 0.00 0.00 178.44 178.30 2pkj n PHE 223 N -5.24 2.16 -1.14 1.25 3.01 -1.26 -5.03 117.46 111.22 2pkj n PHE 223 Ca -0.10 -3.98 -0.37 0.00 1.01 0.00 0.00 57.45 54.01 2pkj n PHE 223 Cb 0.21 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 2pkj n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2pkj n PRO 224 N 1.56 2.02 -2.21 -1.08 -0.04 -1.26 -4.65 135.00 129.34 2pkj n PRO 224 Ca 0.25 -1.88 -0.37 0.00 -0.04 0.00 0.00 63.50 61.46 2pkj n PRO 224 Cb 0.42 -2.84 -0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2pkj n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2pkj s GLY 225 N 4.09 2.77 0.10 0.55 0.00 -1.26 -4.93 107.32 108.64 2pkj s GLY 225 Ca 0.52 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 46.14 2pkj s GLY 225 CO 0.03 1.41 1.20 -0.91 0.00 0.00 0.00 173.10 174.84 2pkj h THR 226 N 1.74 1.43 -1.78 0.90 1.35 -1.93 -3.46 112.91 111.17 2pkj h THR 226 Ca -0.50 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 2pkj h THR 226 Cb 1.25 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2pkj h THR 226 CO 0.59 0.81 0.00 -0.90 -0.25 0.00 0.00 175.52 175.77 2pkj n ASP 227 N -3.65 0.00 0.15 5.36 3.85 -1.26 -5.04 116.55 115.96 2pkj n ASP 227 Ca -0.08 -0.78 -0.14 0.00 -0.71 0.00 0.00 54.79 53.08 2pkj n ASP 227 Cb 0.94 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.65 2pkj n ASP 227 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 2pkj h HIS 228 N 0.78 -0.52 -0.34 2.11 2.76 -2.00 -1.62 115.15 116.32 2pkj h HIS 228 Ca 0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2pkj h HIS 228 Cb 0.00 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2pkj h HIS 228 CO 0.00 -0.30 -0.11 0.82 -1.30 0.00 0.00 177.93 177.04 2pkj h ILE 229 N -0.44 1.28 -0.87 6.26 2.04 -1.99 -2.94 117.51 120.85 2pkj h ILE 229 Ca -0.00 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.70 2pkj h ILE 229 Cb 0.40 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2pkj h ILE 229 CO -0.04 0.39 0.57 -0.78 0.00 0.00 0.00 178.15 178.29 2pkj h ASP 230 N 0.46 0.93 -0.15 1.72 -0.00 -1.96 -1.43 116.42 116.00 2pkj h ASP 230 Ca 0.08 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.11 2pkj h ASP 230 Cb 0.63 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.73 2pkj h ASP 230 CO 0.04 0.64 0.08 -0.61 -0.00 0.00 0.00 179.24 179.39 2pkj h GLN 231 N 1.08 0.17 -0.67 0.28 5.75 -1.18 -1.66 115.11 118.88 2pkj h GLN 231 Ca 0.35 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.78 2pkj h GLN 231 Cb 0.04 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2pkj h GLN 231 CO -0.11 0.12 0.18 1.25 -2.65 0.00 0.00 178.83 177.62 2pkj h LEU 232 N 0.18 0.99 -0.61 -2.39 5.85 -1.25 -2.39 115.31 115.69 2pkj h LEU 232 Ca 0.06 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2pkj h LEU 232 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2pkj h LEU 232 CO -0.03 0.94 0.35 0.11 -0.34 0.00 0.00 178.44 179.47 2pkj h LYS 233 N 1.01 0.84 -0.87 1.25 1.57 -0.95 -1.92 116.57 117.49 2pkj h LYS 233 Ca 0.22 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2pkj h LYS 233 Cb 0.33 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2pkj h LYS 233 CO -0.00 0.63 0.48 -0.07 -0.57 0.00 0.00 179.45 179.91 2pkj h LEU 234 N 0.82 1.09 -0.08 2.94 3.38 -1.05 -1.85 115.31 120.56 2pkj h LEU 234 Ca 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pkj h LEU 234 Cb 0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2pkj h LEU 234 CO -0.04 0.87 0.03 0.40 0.09 0.00 0.00 178.44 179.80 2pkj h ILE 235 N 1.22 1.14 -0.09 1.22 2.04 -1.12 -2.94 117.51 118.99 2pkj h ILE 235 Ca 0.31 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2pkj h ILE 235 Cb 0.03 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2pkj h ILE 235 CO -0.05 0.12 -0.10 -0.07 0.00 0.00 0.00 178.15 178.05 2pkj h LEU 236 N -0.03 0.12 -1.05 1.44 3.38 -1.15 -1.84 115.31 116.18 2pkj h LEU 236 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2pkj h LEU 236 Cb 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2pkj h LEU 236 CO -0.00 0.25 0.18 0.03 0.09 0.00 0.00 178.44 178.99 2pkj h ARG 237 N 0.13 0.87 0.08 1.13 3.08 -1.16 0.54 114.38 119.04 2pkj h ARG 237 Ca 0.03 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2pkj h ARG 237 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pkj h ARG 237 CO 0.02 0.75 -0.04 1.25 -1.07 0.00 0.00 179.97 180.87 2pkj h LEU 238 N 0.84 -0.09 0.00 3.04 5.85 -1.32 -3.39 115.31 120.24 2pkj h LEU 238 Ca 0.19 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2pkj h LEU 238 Cb 0.24 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2pkj h LEU 238 CO -0.01 0.54 -0.54 1.33 -0.34 0.00 0.00 178.44 179.42 2pkj n VAL 239 N -4.81 0.35 0.00 1.05 0.24 -0.75 -1.16 118.33 113.24 2pkj n VAL 239 Ca -0.05 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2pkj n VAL 239 Cb 0.20 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2pkj n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pkj n GLY 240 N 1.35 -1.35 3.75 7.63 0.00 0.19 -4.14 105.19 112.61 2pkj n GLY 240 Ca 0.04 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 2pkj n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pkj s THR 241 N -2.97 2.54 0.08 2.61 -4.23 0.46 -4.80 115.64 109.32 2pkj s THR 241 Ca 0.00 0.31 -0.37 0.00 -1.18 0.00 0.00 61.69 60.45 2pkj s THR 241 Cb 0.00 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 70.62 2pkj s THR 241 CO 0.00 -0.09 1.18 -2.65 -0.54 0.00 0.00 174.62 172.52 2pkj n PRO 242 N -1.93 0.73 -1.14 3.99 -0.02 -1.26 -4.92 135.00 130.45 2pkj n PRO 242 Ca 0.14 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 2pkj n PRO 242 Cb 0.50 -1.80 0.16 0.00 -0.02 0.00 0.00 33.50 32.33 2pkj n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2pkj s GLY 243 N 0.18 1.60 0.28 -1.23 0.00 -1.26 -4.84 107.32 102.04 2pkj s GLY 243 Ca 0.84 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.39 2pkj s GLY 243 CO 0.51 0.39 1.90 0.00 0.00 0.00 0.00 173.10 175.91 2pkj h ALA 244 N -1.74 1.42 -0.54 3.20 0.00 -1.99 -1.83 119.26 117.77 2pkj h ALA 244 Ca -0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2pkj h ALA 244 Cb 1.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2pkj h ALA 244 CO 0.55 0.46 0.24 1.49 0.00 0.00 0.00 179.25 181.98 2pkj h GLU 245 N 1.16 0.77 -0.07 0.00 4.57 -2.01 -2.33 114.58 116.67 2pkj h GLU 245 Ca 0.40 -0.10 -0.15 0.00 -1.18 0.00 0.00 59.36 58.32 2pkj h GLU 245 Cb 0.11 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2pkj h GLU 245 CO -0.14 0.62 -0.56 1.25 -1.18 0.00 0.00 179.01 179.00 2pkj h LEU 246 N 0.77 0.61 -1.58 1.64 5.85 -1.74 -3.24 115.31 117.61 2pkj h LEU 246 Ca 0.19 -0.68 0.11 0.00 0.84 0.00 0.00 57.88 58.34 2pkj h LEU 246 Cb 0.12 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2pkj h LEU 246 CO -0.02 1.20 0.45 -0.07 -0.34 0.00 0.00 178.44 179.66 2pkj h LEU 247 N 0.08 0.41 -2.16 2.25 3.38 -1.12 -0.50 115.31 117.64 2pkj h LEU 247 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2pkj h LEU 247 Cb 1.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2pkj h LEU 247 CO 0.11 0.24 -0.03 0.11 0.09 0.00 0.00 178.44 178.96 2pkj h LYS 248 N 0.45 0.00 -0.01 1.13 1.57 -1.45 -2.54 116.57 115.73 2pkj h LYS 248 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2pkj h LYS 248 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2pkj h LYS 248 CO -0.10 0.03 -0.41 1.63 -0.57 0.00 0.00 179.45 180.03 2pkj n LYS 249 N -3.24 0.58 -2.78 3.15 5.02 -0.20 -4.83 118.16 115.87 2pkj n LYS 249 Ca -0.01 -0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.47 2pkj n LYS 249 Cb 0.20 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 2pkj n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pkj s ILE 250 N -2.68 4.27 0.13 -0.18 -1.09 -0.96 -4.91 121.20 115.78 2pkj s ILE 250 Ca 0.19 0.31 -0.10 0.00 -2.23 0.00 0.00 60.65 58.81 2pkj s ILE 250 Cb 0.18 -4.62 -0.11 0.00 -1.58 0.00 0.00 42.46 36.34 2pkj s ILE 250 CO 0.61 -1.25 1.39 -1.28 -1.23 0.00 0.00 174.94 173.17 2pkj h SER 251 N 9.44 0.89 -2.52 3.58 0.87 -1.88 -3.44 113.55 120.49 2pkj h SER 251 Ca -0.26 -0.52 -0.54 0.00 -1.23 0.00 0.00 61.79 59.23 2pkj h SER 251 Cb 1.07 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2pkj h SER 251 CO 1.13 1.31 1.14 -0.55 -0.53 0.00 0.00 176.83 179.33 2pkj s SER 252 N -7.01 6.58 0.05 6.23 0.15 -1.26 -4.91 113.70 113.52 2pkj s SER 252 Ca -0.10 2.43 -0.21 0.00 0.70 0.00 0.00 55.95 58.77 2pkj s SER 252 Cb 0.10 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.74 2pkj s SER 252 CO 0.89 -0.97 1.44 -0.08 1.20 0.00 0.00 173.24 175.72 2pkj h GLU 253 N 9.81 0.25 -0.17 5.44 4.81 -1.99 -1.63 114.58 131.08 2pkj h GLU 253 Ca -0.44 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2pkj h GLU 253 Cb 1.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2pkj h GLU 253 CO 0.95 0.53 0.12 0.66 -0.73 0.00 0.00 179.01 180.53 2pkj h SER 254 N -0.05 0.20 -0.29 1.04 4.64 -1.99 -2.34 113.55 114.75 2pkj h SER 254 Ca 0.03 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2pkj h SER 254 Cb 0.43 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2pkj h SER 254 CO 0.01 0.15 0.10 0.00 -0.87 0.00 0.00 176.83 176.22 2pkj h ALA 255 N 1.06 1.52 -0.43 5.18 0.00 -1.96 -1.06 119.26 123.56 2pkj h ALA 255 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2pkj h ALA 255 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pkj h ALA 255 CO -0.01 0.37 0.22 -0.09 0.00 0.00 0.00 179.25 179.73 2pkj h ARG 256 N 0.51 0.58 -0.01 0.00 2.43 -0.75 -2.14 114.38 115.01 2pkj h ARG 256 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2pkj h ARG 256 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2pkj h ARG 256 CO -0.01 0.45 -0.71 0.27 -1.51 0.00 0.00 179.97 178.46 2pkj n ASN 257 N -4.41 1.40 0.17 -3.80 0.23 -0.92 -3.41 115.26 104.52 2pkj n ASN 257 Ca 0.03 -1.16 0.05 0.00 -0.53 0.00 0.00 54.58 52.97 2pkj n ASN 257 Cb 0.11 0.69 0.17 0.00 -2.08 0.00 0.00 39.78 38.67 2pkj n ASN 257 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2pkj h TYR 258 N 1.07 0.00 0.02 -2.53 3.20 -0.60 -1.38 116.97 116.76 2pkj h TYR 258 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2pkj h TYR 258 Cb 0.61 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2pkj h TYR 258 CO 0.00 0.39 -0.12 0.82 -1.64 0.00 0.00 178.16 177.61 2pkj h ILE 259 N 0.00 1.74 0.00 1.81 1.08 -1.50 -3.24 117.51 117.39 2pkj h ILE 259 Ca -0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 2pkj h ILE 259 Cb 1.16 3.30 0.00 0.00 -3.07 0.00 0.00 36.82 38.21 2pkj h ILE 259 CO 0.05 0.61 0.00 -0.61 -0.69 0.00 0.00 178.15 177.51 2pkj h GLN 260 N -0.87 0.00 0.00 2.37 4.15 -1.57 -1.82 115.11 117.37 2pkj h GLN 260 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2pkj h GLN 260 Cb 1.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2pkj h GLN 260 CO 0.02 0.00 -0.21 0.77 -1.93 0.00 0.00 178.83 177.48 2pkj h SER 261 N 0.00 0.00 -3.78 -0.69 0.02 -1.31 -3.44 113.55 104.34 2pkj h SER 261 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2pkj h SER 261 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2pkj h SER 261 CO 0.00 0.21 0.42 -0.76 -1.14 0.00 0.00 176.83 175.56 2pkj s LEU 262 N -6.38 4.60 -0.09 5.07 1.43 -0.69 -4.93 118.68 117.69 2pkj s LEU 262 Ca 0.05 2.12 -0.40 0.00 -1.03 0.00 0.00 54.13 54.87 2pkj s LEU 262 Cb 0.07 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 2pkj s LEU 262 CO 0.68 -0.01 1.34 0.41 0.23 0.00 0.00 176.35 179.01 2pkj n THR 263 N 1.32 0.05 -1.69 5.49 -1.04 -1.26 -4.83 114.28 112.32 2pkj n THR 263 Ca -0.02 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2pkj n THR 263 Cb 0.46 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 2pkj n THR 263 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2pkj s GLN 264 N 1.15 4.14 -0.04 -2.82 -0.44 -1.26 -4.84 119.66 115.55 2pkj s GLN 264 Ca 0.92 2.60 0.05 0.00 -2.50 0.00 0.00 55.36 56.43 2pkj s GLN 264 Cb -1.17 -4.11 -0.01 0.00 -1.64 0.00 0.00 33.01 26.08 2pkj s GLN 264 CO 0.59 -0.94 -0.20 -1.64 0.50 0.00 0.00 175.29 173.60 2pkj s MET 265 N 4.30 1.89 0.17 1.67 -1.94 -1.26 -4.96 119.30 119.16 2pkj s MET 265 Ca 0.87 -0.71 -0.12 0.00 -1.71 0.00 0.00 55.69 54.03 2pkj s MET 265 Cb -0.43 -1.68 -0.07 0.00 2.01 0.00 0.00 34.83 34.66 2pkj s MET 265 CO 0.41 0.34 0.53 -1.25 -0.01 0.00 0.00 175.02 175.03 2pkj s PRO 266 N -0.17 3.87 0.10 2.03 0.04 -1.26 -0.41 135.00 139.20 2pkj s PRO 266 Ca 0.00 0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 2pkj s PRO 266 Cb -0.11 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 2pkj s PRO 266 CO 0.01 0.43 1.48 0.21 0.04 0.00 0.00 177.00 179.17 2pkj s LYS 267 N -2.30 4.27 0.42 4.56 2.20 -1.26 -4.12 119.74 123.51 2pkj s LYS 267 Ca 0.41 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 57.97 2pkj s LYS 267 Cb -0.13 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.73 2pkj s LYS 267 CO 0.20 -0.56 0.97 -1.64 -0.36 0.00 0.00 175.35 173.96 2pkj s MET 268 N 1.64 4.20 -0.38 4.03 -1.94 -0.31 -4.95 119.30 121.59 2pkj s MET 268 Ca 0.67 1.21 -0.26 0.00 -1.71 0.00 0.00 55.69 55.60 2pkj s MET 268 Cb -0.38 -2.26 0.02 0.00 2.01 0.00 0.00 34.83 34.21 2pkj s MET 268 CO 0.30 -0.06 0.95 1.21 -0.01 0.00 0.00 175.02 177.41 2pkj s ASN 269 N -2.04 6.67 0.56 3.03 3.04 -1.26 -4.90 114.94 120.04 2pkj s ASN 269 Ca 0.61 0.55 0.26 0.00 0.04 0.00 0.00 52.86 54.32 2pkj s ASN 269 Cb -0.12 -2.47 1.50 0.00 -1.54 0.00 0.00 41.25 38.61 2pkj s ASN 269 CO 0.16 -0.91 2.06 -0.26 -3.04 0.00 0.00 177.10 175.11 2pkj h PHE 270 N 8.57 0.00 -0.15 0.43 0.05 -1.94 0.95 116.94 124.85 2pkj h PHE 270 Ca -0.23 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.54 2pkj h PHE 270 Cb 1.08 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.02 2pkj h PHE 270 CO 0.85 0.00 -0.01 0.00 -0.18 0.00 0.00 178.31 178.97 2pkj h ALA 271 N 1.77 1.71 0.00 2.45 0.00 -1.91 -0.63 119.26 122.65 2pkj h ALA 271 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pkj h ALA 271 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pkj h ALA 271 CO -0.00 0.22 -0.36 0.09 0.00 0.00 0.00 179.25 179.21 2pkj n ASN 272 N -4.40 0.68 -0.08 0.00 3.02 0.31 -3.92 115.26 110.87 2pkj n ASN 272 Ca -0.01 0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 2pkj n ASN 272 Cb 0.17 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 2pkj n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2pkj n VAL 273 N -2.07 1.61 -2.66 2.41 0.31 -0.60 -4.52 118.33 112.81 2pkj n VAL 273 Ca 0.04 -0.33 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 2pkj n VAL 273 Cb 0.42 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.50 2pkj n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2pkj n PHE 274 N -4.01 2.74 -1.72 3.52 3.01 -0.34 -5.02 117.46 115.64 2pkj n PHE 274 Ca -0.37 -2.56 -0.43 0.00 1.01 0.00 0.00 57.45 55.10 2pkj n PHE 274 Cb 0.86 -1.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.10 2pkj n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pkj n ILE 275 N 0.02 0.48 -0.14 4.37 -0.00 -1.25 -2.17 119.36 120.67 2pkj n ILE 275 Ca 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 63.09 2pkj n ILE 275 Cb 0.26 -1.85 0.00 0.00 -0.00 0.00 0.00 39.64 38.05 2pkj n ILE 275 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2pkj n GLY 276 N 3.02 0.91 3.84 7.39 0.00 -1.26 -5.04 105.19 114.05 2pkj n GLY 276 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2pkj n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkj s ALA 277 N -2.49 3.20 0.17 4.61 0.00 -0.92 -5.00 121.76 121.33 2pkj s ALA 277 Ca 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 51.96 51.79 2pkj s ALA 277 Cb 0.00 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 20.05 2pkj s ALA 277 CO 0.00 0.19 1.58 -1.71 0.00 0.00 0.00 175.76 175.82 2pkj n ASN 278 N -0.64 3.16 -0.33 0.00 2.85 -1.26 -4.85 115.26 114.19 2pkj n ASN 278 Ca 0.05 1.09 0.12 0.00 -0.11 0.00 0.00 54.58 55.72 2pkj n ASN 278 Cb 0.54 -1.44 0.33 0.00 1.24 0.00 0.00 39.78 40.44 2pkj n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2pkj h PRO 279 N 5.89 0.76 -0.50 1.20 0.11 -1.97 -0.14 132.00 137.35 2pkj h PRO 279 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2pkj h PRO 279 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2pkj h PRO 279 CO 0.89 0.50 0.12 -0.07 -0.21 0.00 0.00 178.00 179.22 2pkj h LEU 280 N 0.78 0.71 -0.68 2.35 3.38 -1.99 -0.75 115.31 119.12 2pkj h LEU 280 Ca 0.52 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 2pkj h LEU 280 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2pkj h LEU 280 CO -0.30 0.71 -0.00 0.00 0.09 0.00 0.00 178.44 178.94 2pkj h ALA 281 N 1.39 0.89 -0.48 1.53 0.00 -1.40 -1.38 119.26 119.81 2pkj h ALA 281 Ca 0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2pkj h ALA 281 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pkj h ALA 281 CO -0.00 0.65 0.03 0.28 0.00 0.00 0.00 179.25 180.21 2pkj h VAL 282 N 0.93 1.26 -0.25 0.00 2.07 -0.95 -1.47 116.25 117.84 2pkj h VAL 282 Ca 0.17 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2pkj h VAL 282 Cb 0.54 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2pkj h VAL 282 CO 0.03 0.36 0.16 -0.78 0.02 0.00 0.00 177.57 177.35 2pkj h ASP 283 N 0.68 0.30 -0.52 0.57 3.58 -0.93 -0.59 116.42 119.50 2pkj h ASP 283 Ca 0.14 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2pkj h ASP 283 Cb 0.47 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2pkj h ASP 283 CO 0.02 0.25 0.33 0.25 -2.88 0.00 0.00 179.24 177.21 2pkj h LEU 284 N 0.32 0.61 -0.86 2.28 5.85 -1.14 -2.17 115.31 120.20 2pkj h LEU 284 Ca 0.09 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2pkj h LEU 284 Cb 0.00 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2pkj h LEU 284 CO -0.02 0.47 0.54 -0.07 -0.34 0.00 0.00 178.44 179.02 2pkj h LEU 285 N 0.71 0.88 -2.09 2.25 3.38 -0.95 -0.89 115.31 118.59 2pkj h LEU 285 Ca 0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2pkj h LEU 285 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2pkj h LEU 285 CO -0.04 0.59 0.07 -0.33 0.09 0.00 0.00 178.44 178.82 2pkj h GLU 286 N 1.03 0.00 0.00 1.13 4.39 -0.49 -0.15 114.58 120.49 2pkj h GLU 286 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2pkj h GLU 286 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2pkj h GLU 286 CO -0.14 0.00 -0.71 1.63 -1.16 0.00 0.00 179.01 178.63 2pkj n LYS 287 N -4.35 0.15 -0.11 2.33 5.02 -0.42 -4.27 118.16 116.50 2pkj n LYS 287 Ca -0.01 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 2pkj n LYS 287 Cb 0.18 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 2pkj n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2pkj n MET 288 N -1.77 0.65 -1.77 1.97 2.81 -0.73 -1.20 117.12 117.09 2pkj n MET 288 Ca 0.04 0.21 -0.40 0.00 -1.81 0.00 0.00 57.70 55.73 2pkj n MET 288 Cb 0.39 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 2pkj n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2pkj n LEU 289 N -3.54 8.16 -4.47 4.03 4.77 -0.15 -4.38 117.00 121.43 2pkj n LEU 289 Ca -0.45 -4.66 -0.33 0.00 -0.03 0.00 0.00 56.01 50.54 2pkj n LEU 289 Cb 0.96 -1.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.47 2pkj n LEU 289 CO 0.23 1.98 -0.43 -0.69 -1.33 0.00 0.00 177.39 177.15 2pkj s VAL 290 N 0.32 3.23 0.10 4.08 1.01 -1.26 -4.91 120.40 122.96 2pkj s VAL 290 Ca 0.58 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 2pkj s VAL 290 Cb 0.17 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 34.12 2pkj s VAL 290 CO -0.08 0.57 1.74 0.25 0.00 0.00 0.00 175.10 177.58 2pkj h LEU 291 N 5.78 -0.01 -8.99 3.92 5.85 -1.93 -3.40 115.31 116.53 2pkj h LEU 291 Ca -0.40 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.76 2pkj h LEU 291 Cb 1.18 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2pkj h LEU 291 CO 0.53 0.00 1.14 -0.62 -0.34 0.00 0.00 178.44 179.14 2pkj s ASP 292 N -5.20 6.32 0.38 1.25 -1.08 -1.26 -4.89 116.67 112.19 2pkj s ASP 292 Ca -0.13 1.49 0.07 0.00 -0.52 0.00 0.00 52.55 53.46 2pkj s ASP 292 Cb 0.07 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.76 2pkj s ASP 292 CO 0.67 -1.33 1.96 0.77 0.52 0.00 0.00 175.17 177.75 2pkj h SER 293 N 10.95 0.39 0.32 -0.34 4.64 -1.98 -2.05 113.55 125.49 2pkj h SER 293 Ca -0.33 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2pkj h SER 293 Cb 1.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2pkj h SER 293 CO 1.01 0.42 0.00 0.44 -0.87 0.00 0.00 176.83 177.83 2pkj h ASP 294 N 0.42 0.00 -0.02 4.97 3.45 -1.95 -2.25 116.42 121.04 2pkj h ASP 294 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2pkj h ASP 294 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2pkj h ASP 294 CO 0.00 0.00 -0.37 0.29 -1.57 0.00 0.00 179.24 177.59 2pkj n LYS 295 N -2.81 1.46 -2.42 3.56 4.76 -0.77 -4.98 118.16 116.95 2pkj n LYS 295 Ca -0.01 -1.07 -0.37 0.00 -2.87 0.00 0.00 58.31 53.98 2pkj n LYS 295 Cb 0.14 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 2pkj n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2pkj s ARG 296 N -2.23 4.10 0.50 1.97 3.00 -0.85 -4.95 118.95 120.49 2pkj s ARG 296 Ca 0.18 1.67 -0.22 0.00 0.00 0.00 0.00 55.73 57.36 2pkj s ARG 296 Cb 0.17 -2.60 -0.06 0.00 0.00 0.00 0.00 34.95 32.45 2pkj s ARG 296 CO 0.48 -0.23 1.18 -1.50 0.00 0.00 0.00 175.30 175.23 2pkj s ILE 297 N -1.54 2.96 0.65 1.52 2.07 -0.34 -5.02 121.20 121.50 2pkj s ILE 297 Ca 0.58 0.68 -0.03 0.00 -1.41 0.00 0.00 60.65 60.46 2pkj s ILE 297 Cb -0.26 -3.32 0.06 0.00 0.13 0.00 0.00 42.46 39.06 2pkj s ILE 297 CO 0.33 -0.05 0.92 0.42 -1.91 0.00 0.00 174.94 174.65 2pkj s THR 298 N -1.57 2.42 0.07 4.00 -4.23 -1.26 -4.91 115.64 110.15 2pkj s THR 298 Ca 0.68 -0.45 -0.24 0.00 -1.18 0.00 0.00 61.69 60.50 2pkj s THR 298 Cb -0.29 -2.97 -0.16 0.00 1.34 0.00 0.00 72.50 70.42 2pkj s THR 298 CO 0.34 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.07 2pkj h ALA 299 N -0.34 -0.05 -0.48 3.99 0.00 -1.94 -1.08 119.26 119.36 2pkj h ALA 299 Ca -0.43 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2pkj h ALA 299 Cb 1.30 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2pkj h ALA 299 CO 0.55 -0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.55 2pkj h ALA 300 N 0.83 0.61 -0.67 0.00 0.00 -1.94 -1.84 119.26 116.26 2pkj h ALA 300 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2pkj h ALA 300 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pkj h ALA 300 CO 0.01 -0.11 0.31 1.96 0.00 0.00 0.00 179.25 181.41 2pkj h GLN 301 N 0.47 0.98 -0.39 0.00 4.20 -1.92 -2.87 115.11 115.57 2pkj h GLN 301 Ca 0.21 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2pkj h GLN 301 Cb 0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2pkj h GLN 301 CO -0.15 0.79 0.05 0.00 -0.67 0.00 0.00 178.83 178.85 2pkj h ALA 302 N 1.14 1.37 -0.06 3.87 0.00 -0.73 -2.15 119.26 122.70 2pkj h ALA 302 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pkj h ALA 302 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pkj h ALA 302 CO -0.03 0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 2pkj h LEU 303 N 0.58 0.07 -0.96 0.00 3.38 -1.12 -1.40 115.31 115.87 2pkj h LEU 303 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pkj h LEU 303 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pkj h LEU 303 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 2pkj n ALA 304 N -2.52 2.54 -1.77 1.53 0.00 -0.82 -4.73 120.51 114.74 2pkj n ALA 304 Ca -0.02 -0.47 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2pkj n ALA 304 Cb 0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 2pkj n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pkj s HIS 305 N -1.83 3.29 0.61 0.00 5.04 -0.53 -4.92 115.29 116.95 2pkj s HIS 305 Ca 0.32 1.62 0.28 0.00 -1.54 0.00 0.00 55.06 55.74 2pkj s HIS 305 Cb 0.17 -3.31 1.46 0.00 0.04 0.00 0.00 32.58 30.94 2pkj s HIS 305 CO 0.26 -0.92 1.86 0.00 -2.34 0.00 0.00 174.74 173.60 2pkj h ALA 306 N 3.05 1.97 -0.20 1.58 0.00 -1.91 -1.75 119.26 122.00 2pkj h ALA 306 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2pkj h ALA 306 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2pkj h ALA 306 CO 0.64 -0.66 0.01 -0.92 0.00 0.00 0.00 179.25 178.33 2pkj h TYR 307 N 0.00 0.29 -0.55 0.00 3.20 -1.91 -2.70 116.97 115.30 2pkj h TYR 307 Ca 0.16 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2pkj h TYR 307 Cb 1.12 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 2pkj h TYR 307 CO 0.00 0.29 0.08 1.19 -1.64 0.00 0.00 178.16 178.08 2pkj n PHE 308 N -4.38 1.92 -0.31 -3.82 3.01 -0.66 -4.66 117.46 108.56 2pkj n PHE 308 Ca -0.00 -0.94 0.21 0.00 1.01 0.00 0.00 57.45 57.73 2pkj n PHE 308 Cb 0.17 -0.53 0.50 0.00 -0.01 0.00 0.00 39.48 39.62 2pkj n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pkj h ALA 309 N 3.00 2.20 0.00 4.37 0.00 -1.59 0.20 119.26 127.44 2pkj h ALA 309 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pkj h ALA 309 Cb 1.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2pkj h ALA 309 CO 0.51 -0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.22 2pkj n GLN 310 N -4.60 0.21 -0.01 0.00 3.00 -1.26 -4.02 117.38 110.70 2pkj n GLN 310 Ca 0.24 0.31 -0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2pkj n GLN 310 Cb 0.82 -1.82 -0.01 0.00 0.00 0.00 0.00 30.24 29.23 2pkj n GLN 310 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2pkj n TYR 311 N -2.20 0.00 -1.68 1.08 4.02 0.42 -5.05 117.16 113.75 2pkj n TYR 311 Ca 0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.48 2pkj n TYR 311 Cb 0.32 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.53 2pkj n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2pkj n HIS 312 N -1.93 2.43 -3.49 -0.72 -0.00 0.33 -4.99 115.22 106.86 2pkj n HIS 312 Ca -0.02 0.13 -0.24 0.00 0.46 0.00 0.00 57.72 58.04 2pkj n HIS 312 Cb 0.42 -2.61 -0.13 0.00 -0.12 0.00 0.00 29.99 27.55 2pkj n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2pkj s ASP 313 N 1.61 2.81 0.64 0.26 -1.08 -1.26 -5.00 116.67 114.66 2pkj s ASP 313 Ca 0.80 -1.08 0.34 0.00 -0.52 0.00 0.00 52.55 52.09 2pkj s ASP 313 Cb -0.62 -0.01 1.89 0.00 -1.46 0.00 0.00 42.92 42.72 2pkj s ASP 313 CO 0.38 -0.42 2.11 1.55 0.52 0.00 0.00 175.17 179.31 2pkj h PRO 314 N 8.35 0.00 -0.01 4.34 0.13 -1.97 0.13 132.00 142.96 2pkj h PRO 314 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2pkj h PRO 314 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2pkj h PRO 314 CO 0.40 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 177.80 2pkj n ASP 315 N -3.22 1.52 -2.53 1.44 10.43 -1.26 -4.16 116.55 118.77 2pkj n ASP 315 Ca -0.01 -1.34 -0.12 0.00 2.57 0.00 0.00 54.79 55.89 2pkj n ASP 315 Cb 0.28 0.08 0.03 0.00 1.84 0.00 0.00 41.12 43.35 2pkj n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2pkj n ASP 316 N -0.00 2.89 -3.21 -2.24 4.64 0.44 -4.84 116.55 114.22 2pkj n ASP 316 Ca 0.16 -2.85 -0.23 0.00 -1.38 0.00 0.00 54.79 50.48 2pkj n ASP 316 Cb 0.38 -0.45 -0.06 0.00 -1.04 0.00 0.00 41.12 39.96 2pkj n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2pkj n GLU 317 N -0.51 1.15 -1.18 -0.67 1.02 -1.21 -4.87 120.64 114.37 2pkj n GLU 317 Ca 0.22 -3.55 -0.34 0.00 -0.02 0.00 0.00 57.16 53.47 2pkj n GLU 317 Cb 0.83 -1.51 0.12 0.00 -0.02 0.00 0.00 31.44 30.86 2pkj n GLU 317 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2pkj n PRO 318 N 1.03 0.28 -4.02 3.49 -0.04 -1.26 -4.96 135.00 129.52 2pkj n PRO 318 Ca 0.24 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 2pkj n PRO 318 Cb 0.53 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 2pkj n PRO 318 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pkj s VAL 319 N -2.04 3.68 0.43 0.52 -7.23 -1.26 -4.18 120.40 110.32 2pkj s VAL 319 Ca 0.74 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 2pkj s VAL 319 Cb -0.30 -3.16 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2pkj s VAL 319 CO 0.50 -0.25 0.76 0.00 -0.31 0.00 0.00 175.10 175.79 2pkj s ALA 320 N -2.28 3.40 0.77 1.32 0.00 -1.25 -5.03 121.76 118.68 2pkj s ALA 320 Ca 0.37 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 2pkj s ALA 320 Cb -0.06 -2.61 0.05 0.00 0.00 0.00 0.00 23.12 20.50 2pkj s ALA 320 CO 0.24 -0.15 1.08 -0.51 0.00 0.00 0.00 175.76 176.42 2pkj s ASP 321 N -3.62 4.67 0.32 0.00 1.01 -1.26 -4.73 116.67 113.05 2pkj s ASP 321 Ca 0.49 1.64 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 2pkj s ASP 321 Cb -0.10 -2.40 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 2pkj s ASP 321 CO 0.38 -1.90 1.42 -2.16 0.21 0.00 0.00 175.17 173.12 2pkj s PRO 322 N -4.99 4.24 -0.32 8.23 0.04 -1.26 -4.74 135.00 136.20 2pkj s PRO 322 Ca 0.60 2.37 -0.07 0.00 0.04 0.00 0.00 61.00 63.95 2pkj s PRO 322 Cb -0.16 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2pkj s PRO 322 CO 0.56 -0.39 0.10 -0.47 0.04 0.00 0.00 177.00 176.84 2pkj s TYR 323 N -0.69 3.20 -0.71 0.56 5.04 -1.26 -5.05 117.35 118.44 2pkj s TYR 323 Ca 0.54 -1.17 -0.27 0.00 -2.44 0.00 0.00 57.07 53.73 2pkj s TYR 323 Cb -0.43 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.62 2pkj s TYR 323 CO 0.52 -0.65 1.42 0.34 -1.34 0.00 0.00 175.55 175.85 2pkj s ASP 324 N 1.46 5.95 -0.39 4.32 2.15 -1.26 -4.86 116.67 124.04 2pkj s ASP 324 Ca 0.01 -0.28 0.05 0.00 0.43 0.00 0.00 52.55 52.76 2pkj s ASP 324 Cb -0.18 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.38 2pkj s ASP 324 CO 0.03 -1.97 1.57 0.00 -0.17 0.00 0.00 175.17 174.63 2pkj n GLN 325 N 9.33 2.48 0.26 4.34 10.64 -1.26 -4.63 117.38 138.54 2pkj n GLN 325 Ca 0.08 -3.43 0.10 0.00 -1.83 0.00 0.00 57.00 51.92 2pkj n GLN 325 Cb 0.50 -2.07 0.70 0.00 -0.86 0.00 0.00 30.24 28.51 2pkj n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2pkj h SER 326 N 1.50 0.00 -0.52 2.61 4.64 -2.04 -2.19 113.55 117.55 2pkj h SER 326 Ca 0.38 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.84 2pkj h SER 326 Cb 1.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.64 2pkj h SER 326 CO 0.81 0.09 0.36 2.19 -0.87 0.00 0.00 176.83 179.41 2pkj h PHE 327 N 0.00 0.10 -0.41 4.77 -5.15 -1.97 -1.86 116.94 112.42 2pkj h PHE 327 Ca -0.00 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.88 2pkj h PHE 327 Cb 0.19 -0.03 -0.02 0.00 0.22 0.00 0.00 35.95 36.31 2pkj h PHE 327 CO 0.00 0.04 0.29 0.93 -2.00 0.00 0.00 178.31 177.58 2pkj h GLU 328 N 0.09 0.04 0.00 6.09 4.39 -1.78 -1.51 114.58 121.91 2pkj h GLU 328 Ca 0.25 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2pkj h GLU 328 Cb 0.85 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2pkj h GLU 328 CO -0.02 0.03 -0.55 0.77 -1.16 0.00 0.00 179.01 178.08 2pkj h SER 329 N 0.05 0.00 -3.72 1.42 0.02 -1.55 -3.47 113.55 106.30 2pkj h SER 329 Ca 0.20 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.65 2pkj h SER 329 Cb 0.72 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 2pkj h SER 329 CO -0.01 0.13 0.15 0.00 -1.14 0.00 0.00 176.83 175.95 2pkj s ARG 330 N -3.20 4.16 -0.36 3.45 1.70 -0.57 -5.05 118.95 119.08 2pkj s ARG 330 Ca 0.03 0.84 -0.02 0.00 -0.47 0.00 0.00 55.73 56.11 2pkj s ARG 330 Cb 0.07 -2.58 0.08 0.00 -0.57 0.00 0.00 34.95 31.96 2pkj s ARG 330 CO 0.73 0.22 0.10 -0.51 -1.08 0.00 0.00 175.30 174.77 2pkj s ASP 331 N -2.00 5.05 0.39 -2.89 1.01 -1.26 -5.04 116.67 111.93 2pkj s ASP 331 Ca 0.51 -1.74 0.08 0.00 0.71 0.00 0.00 52.55 52.11 2pkj s ASP 331 Cb -0.13 -1.76 -0.06 0.00 1.01 0.00 0.00 42.92 41.98 2pkj s ASP 331 CO 0.19 -0.41 0.09 -0.76 0.21 0.00 0.00 175.17 174.49 2pkj s LEU 332 N 1.16 3.02 0.58 1.23 1.43 -1.26 -5.13 118.68 119.70 2pkj s LEU 332 Ca 0.03 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 2pkj s LEU 332 Cb -0.21 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 2pkj s LEU 332 CO -0.03 -0.43 1.01 -0.76 0.23 0.00 0.00 176.35 176.36 2pkj s LEU 333 N -3.80 3.39 0.25 1.79 2.01 -1.26 -4.87 118.68 116.19 2pkj s LEU 333 Ca 0.38 1.49 -0.04 0.00 0.01 0.00 0.00 54.13 55.97 2pkj s LEU 333 Cb 0.04 -4.49 0.45 0.00 0.01 0.00 0.00 46.19 42.21 2pkj s LEU 333 CO 0.20 -0.77 1.75 0.40 1.01 0.00 0.00 176.35 178.95 2pkj h ILE 334 N 0.19 0.72 -0.38 -0.59 2.04 -1.91 -0.58 117.51 117.01 2pkj h ILE 334 Ca -0.45 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2pkj h ILE 334 Cb 1.19 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2pkj h ILE 334 CO 0.62 0.10 0.12 0.44 0.00 0.00 0.00 178.15 179.42 2pkj h ASP 335 N 0.53 0.49 0.10 1.72 3.45 -1.96 -0.13 116.42 120.61 2pkj h ASP 335 Ca 0.41 -0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 2pkj h ASP 335 Cb 0.58 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 2pkj h ASP 335 CO -0.36 0.48 -0.05 -0.33 -1.57 0.00 0.00 179.24 177.41 2pkj h GLU 336 N 0.54 -0.12 -0.56 3.56 5.08 -1.51 -1.38 114.58 120.19 2pkj h GLU 336 Ca 0.13 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2pkj h GLU 336 Cb 0.17 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2pkj h GLU 336 CO -0.01 0.34 0.38 -1.49 -1.00 0.00 0.00 179.01 177.23 2pkj h TRP 337 N -0.66 0.52 -0.07 4.33 4.06 -1.23 -0.12 115.95 122.77 2pkj h TRP 337 Ca -0.01 0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 2pkj h TRP 337 Cb 0.52 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2pkj h TRP 337 CO 0.09 0.28 -0.70 1.57 -3.56 0.00 0.00 178.44 176.11 2pkj h LYS 338 N 0.51 0.32 -0.24 0.49 2.10 -0.94 -1.48 116.57 117.33 2pkj h LYS 338 Ca 0.24 -0.26 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 2pkj h LYS 338 Cb 0.31 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2pkj h LYS 338 CO -0.07 0.90 -0.53 1.03 -2.00 0.00 0.00 179.45 178.78 2pkj h SER 339 N 0.22 0.78 -0.47 7.07 0.87 -0.19 -0.78 113.55 121.05 2pkj h SER 339 Ca -0.02 -0.41 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 2pkj h SER 339 Cb 1.26 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 2pkj h SER 339 CO 0.11 1.16 0.03 -0.07 -0.53 0.00 0.00 176.83 177.53 2pkj h LEU 340 N 0.54 0.84 -0.36 2.23 3.38 -0.97 -0.49 115.31 120.47 2pkj h LEU 340 Ca 0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2pkj h LEU 340 Cb 1.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2pkj h LEU 340 CO 0.11 0.88 -0.14 0.74 0.09 0.00 0.00 178.44 180.12 2pkj h THR 341 N 0.82 1.28 -0.98 0.22 2.02 -1.09 -2.52 112.91 112.66 2pkj h THR 341 Ca 0.16 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2pkj h THR 341 Cb 0.44 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2pkj h THR 341 CO 0.02 0.41 0.63 0.22 0.37 0.00 0.00 175.52 177.16 2pkj h TYR 342 N 0.51 1.25 -0.63 3.16 3.20 -0.82 -1.67 116.97 121.97 2pkj h TYR 342 Ca 0.08 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2pkj h TYR 342 Cb 0.67 -0.42 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2pkj h TYR 342 CO 0.06 0.80 0.35 -0.44 -1.64 0.00 0.00 178.16 177.28 2pkj h ASP 343 N 1.33 0.51 0.06 -2.11 5.19 -0.84 -1.65 116.42 118.92 2pkj h ASP 343 Ca 0.36 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2pkj h ASP 343 Cb -0.12 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 2pkj h ASP 343 CO -0.07 0.34 -0.22 -0.33 -3.12 0.00 0.00 179.24 175.83 2pkj h GLU 344 N 0.65 0.30 -0.07 3.56 4.39 -0.93 -1.69 114.58 120.78 2pkj h GLU 344 Ca 0.28 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2pkj h GLU 344 Cb 0.16 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2pkj h GLU 344 CO -0.17 0.51 0.00 0.28 -1.16 0.00 0.00 179.01 178.47 2pkj h VAL 345 N 0.27 1.24 -0.36 3.13 2.07 -0.45 -2.70 116.25 119.45 2pkj h VAL 345 Ca 0.05 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2pkj h VAL 345 Cb 0.55 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2pkj h VAL 345 CO 0.04 0.20 -0.03 0.40 0.02 0.00 0.00 177.57 178.20 2pkj h ILE 346 N -0.15 1.22 0.00 4.57 5.03 -1.27 -2.87 117.51 124.03 2pkj h ILE 346 Ca 0.02 -0.90 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 2pkj h ILE 346 Cb 0.32 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 2pkj h ILE 346 CO 0.00 0.31 0.00 -1.54 -0.68 0.00 0.00 178.15 176.24 2pkj n SER 347 N -4.24 0.26 -4.69 1.72 3.41 -0.65 -4.90 113.62 104.53 2pkj n SER 347 Ca 0.01 0.53 -0.44 0.00 -0.26 0.00 0.00 58.87 58.71 2pkj n SER 347 Cb 0.28 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 2pkj n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2pkj n PHE 348 N -1.74 2.48 -3.98 7.33 7.35 -1.02 -4.99 117.46 122.89 2pkj n PHE 348 Ca 0.06 0.06 -0.34 0.00 -0.76 0.00 0.00 57.45 56.47 2pkj n PHE 348 Cb 0.36 -2.64 -0.14 0.00 0.35 0.00 0.00 39.48 37.41 2pkj n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2pkj s VAL 349 N 1.91 2.78 0.74 -2.13 1.01 -1.26 -5.09 120.40 118.36 2pkj s VAL 349 Ca 0.81 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2pkj s VAL 349 Cb -0.59 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.44 2pkj s VAL 349 CO 0.38 0.22 1.16 -2.16 0.00 0.00 0.00 175.10 174.71 2pkj s PRO 350 N 1.31 2.18 0.69 2.72 0.04 -1.26 -5.00 135.00 135.68 2pkj s PRO 350 Ca 0.00 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2pkj s PRO 350 Cb -0.16 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2pkj s PRO 350 CO -0.05 -1.77 1.17 -2.14 0.04 0.00 0.00 177.00 174.25 2pkj s PRO 351 N -4.13 2.44 0.00 0.56 0.02 -1.26 -5.16 135.00 127.47 2pkj s PRO 351 Ca 0.70 1.64 0.04 0.00 0.02 0.00 0.00 61.00 63.41 2pkj s PRO 351 Cb -0.25 -1.88 0.27 0.00 0.02 0.00 0.00 34.50 32.65 2pkj s PRO 351 CO 0.47 -1.58 0.74 -0.35 -0.33 0.00 0.00 177.00 175.95