#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkx s ASN 3 N 0.00 6.19 0.28 4.38 3.04 -1.26 -4.94 114.94 122.63 1rkx s ASN 3 Ca 0.00 -1.22 -0.00 0.00 0.04 0.00 0.00 52.86 51.68 1rkx s ASN 3 Cb 0.00 -2.25 0.50 0.00 -1.54 0.00 0.00 41.25 37.95 1rkx s ASN 3 CO 0.00 -0.85 1.86 0.78 -3.04 0.00 0.00 177.10 175.85 1rkx h ASN 4 N 8.94 0.98 0.22 -4.21 2.35 -2.00 -0.47 115.58 121.38 1rkx h ASN 4 Ca -0.28 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1rkx h ASN 4 Cb 1.10 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 1rkx h ASN 4 CO 0.97 0.57 -0.12 0.77 -1.65 0.00 0.00 177.43 177.97 1rkx h SER 5 N 1.07 0.00 -0.18 5.81 4.64 -1.92 -2.35 113.55 120.64 1rkx h SER 5 Ca 0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.71 1rkx h SER 5 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1rkx h SER 5 CO -0.22 0.12 -0.19 0.15 -0.87 0.00 0.00 176.83 175.81 1rkx h PHE 6 N 0.00 0.53 0.00 4.77 3.57 -1.46 -3.26 116.94 121.10 1rkx h PHE 6 Ca -0.00 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1rkx h PHE 6 Cb 0.26 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1rkx h PHE 6 CO 0.00 0.82 -0.12 -1.49 -2.23 0.00 0.00 178.31 175.29 1rkx h TRP 7 N 0.09 0.00 -2.05 0.41 4.06 -1.26 -3.42 115.95 113.78 1rkx h TRP 7 Ca 0.03 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.36 1rkx h TRP 7 Cb 0.74 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1rkx h TRP 7 CO 0.08 0.12 1.06 0.94 -3.56 0.00 0.00 178.44 177.08 1rkx n GLN 8 N -3.25 2.15 -0.39 0.49 -0.06 -0.93 -1.74 117.38 113.63 1rkx n GLN 8 Ca 0.01 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.79 1rkx n GLN 8 Cb 0.39 -2.62 0.00 0.00 -4.06 0.00 0.00 30.24 23.95 1rkx n GLN 8 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkx n GLY 9 N 4.28 1.78 3.76 1.69 0.00 0.57 -4.89 105.19 112.38 1rkx n GLY 9 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1rkx n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rkx s LYS 10 N -0.07 4.37 -0.50 1.61 -0.14 -0.71 -4.53 119.74 119.76 1rkx s LYS 10 Ca 0.00 2.18 -0.22 0.00 -1.36 0.00 0.00 55.97 56.57 1rkx s LYS 10 Cb 0.00 -3.10 0.04 0.00 -1.68 0.00 0.00 37.83 33.09 1rkx s LYS 10 CO 0.00 -0.20 0.78 1.03 -0.76 0.00 0.00 175.35 176.20 1rkx s ARG 11 N -1.40 3.29 -0.15 1.68 0.52 -1.26 -0.12 118.95 121.52 1rkx s ARG 11 Ca 0.51 -0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1rkx s ARG 11 Cb -0.39 -4.02 -0.01 0.00 0.52 0.00 0.00 34.95 31.05 1rkx s ARG 11 CO 0.49 -1.26 -0.12 0.08 0.02 0.00 0.00 175.30 174.52 1rkx s VAL 12 N 3.29 3.03 -0.20 3.52 1.01 0.10 -1.11 120.40 130.04 1rkx s VAL 12 Ca 0.25 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1rkx s VAL 12 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1rkx s VAL 12 CO 0.18 0.51 0.06 0.12 0.00 0.00 0.00 175.10 175.97 1rkx s PHE 13 N 0.60 3.18 -0.20 5.22 5.36 -0.19 -1.11 117.98 130.84 1rkx s PHE 13 Ca -0.07 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1rkx s PHE 13 Cb -0.15 -2.13 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 1rkx s PHE 13 CO 0.03 -0.03 -0.08 0.08 -1.46 0.00 0.00 175.22 173.76 1rkx s VAL 14 N 0.81 1.48 0.28 3.12 1.01 0.65 -1.08 120.40 126.68 1rkx s VAL 14 Ca 0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1rkx s VAL 14 Cb -0.14 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1rkx s VAL 14 CO 0.02 0.09 0.78 0.42 0.00 0.00 0.00 175.10 176.41 1rkx s THR 15 N 1.45 4.52 -0.22 3.92 -4.23 -0.64 -1.71 115.64 118.74 1rkx s THR 15 Ca -0.02 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1rkx s THR 15 Cb -0.17 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1rkx s THR 15 CO -0.08 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1rkx n GLY 16 N 0.31 0.42 0.17 3.99 0.00 -0.52 -2.14 105.19 107.43 1rkx n GLY 16 Ca 0.01 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1rkx n GLY 16 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1rkx h HIS 17 N 0.00 0.00 -0.07 1.61 -0.00 -1.77 -2.61 115.15 112.31 1rkx h HIS 17 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1rkx h HIS 17 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1rkx h HIS 17 CO 0.06 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.24 1rkx n THR 18 N -2.44 0.08 -2.89 6.12 -2.24 -1.26 -2.99 114.28 108.66 1rkx n THR 18 Ca 0.01 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1rkx n THR 18 Cb 0.21 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1rkx n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rkx n GLY 19 N 1.11 1.69 0.29 3.38 0.00 -0.98 -4.36 105.19 106.32 1rkx n GLY 19 Ca 0.18 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1rkx n GLY 19 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rkx h PHE 20 N -0.07 -0.69 -0.61 1.61 3.57 -1.88 0.67 116.94 119.55 1rkx h PHE 20 Ca -0.12 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.27 1rkx h PHE 20 Cb 0.54 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1rkx h PHE 20 CO 0.00 -0.43 0.03 0.87 -2.23 0.00 0.00 178.31 176.55 1rkx h LYS 21 N -0.78 1.06 -0.61 1.11 1.57 -1.96 -2.73 116.57 114.23 1rkx h LYS 21 Ca -0.08 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1rkx h LYS 21 Cb 0.57 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1rkx h LYS 21 CO 0.12 1.02 0.26 0.78 -0.57 0.00 0.00 179.45 181.06 1rkx h GLY 22 N 0.96 0.94 0.77 3.86 0.00 -1.66 -0.97 103.07 106.98 1rkx h GLY 22 Ca 0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1rkx h GLY 22 CO 0.03 0.44 -0.00 -1.33 0.00 0.00 0.00 176.54 175.67 1rkx h GLY 23 N 0.97 0.25 1.02 4.60 0.00 -0.69 0.38 103.07 109.61 1rkx h GLY 23 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1rkx h GLY 23 CO -0.02 0.17 0.37 1.49 0.00 0.00 0.00 176.54 178.55 1rkx h TRP 24 N -0.04 1.11 -0.38 5.60 4.06 -1.29 -0.53 115.95 124.47 1rkx h TRP 24 Ca 0.04 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1rkx h TRP 24 Cb 0.38 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1rkx h TRP 24 CO 0.04 0.81 0.09 1.25 -3.56 0.00 0.00 178.44 177.06 1rkx h LEU 25 N 1.08 0.59 -0.54 -4.49 5.85 -1.07 -0.64 115.31 116.09 1rkx h LEU 25 Ca 0.26 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rkx h LEU 25 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1rkx h LEU 25 CO -0.03 0.68 0.32 0.28 -0.34 0.00 0.00 178.44 179.34 1rkx h SER 26 N 0.48 0.66 -0.72 1.25 0.02 -0.66 0.13 113.55 114.71 1rkx h SER 26 Ca 0.12 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rkx h SER 26 Cb 0.32 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1rkx h SER 26 CO 0.00 0.53 0.38 -0.07 -1.14 0.00 0.00 176.83 176.54 1rkx h LEU 27 N 0.73 0.90 -0.16 5.07 3.38 -0.95 -0.34 115.31 123.94 1rkx h LEU 27 Ca 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rkx h LEU 27 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1rkx h LEU 27 CO -0.04 0.75 0.08 -0.25 0.09 0.00 0.00 178.44 179.07 1rkx h TRP 28 N 0.99 0.22 -0.66 1.13 2.91 -0.58 -1.08 115.95 118.88 1rkx h TRP 28 Ca 0.25 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.27 1rkx h TRP 28 Cb 0.05 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.60 1rkx h TRP 28 CO -0.00 0.23 0.44 -0.07 -1.03 0.00 0.00 178.44 178.01 1rkx h LEU 29 N 0.15 0.75 -0.32 0.65 3.38 -0.77 -2.49 115.31 116.65 1rkx h LEU 29 Ca 0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rkx h LEU 29 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1rkx h LEU 29 CO -0.01 0.54 0.20 1.56 0.09 0.00 0.00 178.44 180.82 1rkx h GLN 30 N 0.89 0.40 0.00 1.13 4.20 -0.76 -1.92 115.11 119.04 1rkx h GLN 30 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1rkx h GLN 30 Cb -0.09 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1rkx h GLN 30 CO -0.06 0.26 -0.05 1.79 -0.67 0.00 0.00 178.83 180.11 1rkx h THR 31 N 0.41 0.59 -0.34 -0.54 1.35 -0.86 -0.94 112.91 112.58 1rkx h THR 31 Ca 0.12 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1rkx h THR 31 Cb -0.02 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1rkx h THR 31 CO -0.05 0.05 0.00 0.23 -0.25 0.00 0.00 175.52 175.50 1rkx n MET 32 N -3.85 1.88 -0.86 4.72 2.81 -0.82 -4.92 117.12 116.09 1rkx n MET 32 Ca -0.03 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 1rkx n MET 32 Cb 0.14 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1rkx n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rkx n GLY 33 N 1.14 0.53 3.83 3.03 0.00 -0.36 -2.87 105.19 110.49 1rkx n GLY 33 Ca 0.14 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1rkx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx s ALA 34 N -2.00 2.87 -0.50 4.61 0.00 -0.79 -0.32 121.76 125.64 1rkx s ALA 34 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 1rkx s ALA 34 Cb 0.00 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 20.04 1rkx s ALA 34 CO 0.00 -0.78 0.48 0.99 0.00 0.00 0.00 175.76 176.45 1rkx s THR 35 N -2.82 5.12 -0.06 0.00 2.01 0.83 -4.63 115.64 116.09 1rkx s THR 35 Ca 0.59 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1rkx s THR 35 Cb -0.13 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1rkx s THR 35 CO 0.45 -0.70 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.98 1rkx s VAL 36 N 1.95 4.20 -0.04 3.82 1.01 -1.26 -0.73 120.40 129.35 1rkx s VAL 36 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1rkx s VAL 36 Cb -0.24 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1rkx s VAL 36 CO 0.07 0.55 -0.13 -0.75 0.00 0.00 0.00 175.10 174.85 1rkx s LYS 37 N -1.03 1.48 0.14 2.72 2.20 -0.26 -1.44 119.74 123.55 1rkx s LYS 37 Ca 0.15 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.40 1rkx s LYS 37 Cb -0.11 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1rkx s LYS 37 CO 0.04 0.14 -0.17 0.20 -0.36 0.00 0.00 175.35 175.20 1rkx s GLY 38 N 0.26 1.70 -0.16 5.54 0.00 0.36 -0.25 107.32 114.78 1rkx s GLY 38 Ca -0.06 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 1rkx s GLY 38 CO 0.02 -1.42 0.08 -0.47 0.00 0.00 0.00 173.10 171.31 1rkx s TYR 39 N -1.36 0.32 0.31 1.90 5.04 -0.70 -0.78 117.35 122.08 1rkx s TYR 39 Ca 0.20 -0.34 -0.14 0.00 -2.44 0.00 0.00 57.07 54.35 1rkx s TYR 39 Cb -0.10 -0.72 0.02 0.00 0.35 0.00 0.00 41.96 41.51 1rkx s TYR 39 CO 0.11 -0.49 0.63 -1.12 -1.34 0.00 0.00 175.55 173.34 1rkx s SER 40 N 2.10 0.09 0.75 4.32 0.01 -0.94 -1.44 113.70 118.59 1rkx s SER 40 Ca 0.02 -1.02 -0.07 0.00 1.31 0.00 0.00 55.95 56.18 1rkx s SER 40 Cb -0.16 0.71 0.09 0.00 0.21 0.00 0.00 66.02 66.88 1rkx s SER 40 CO -0.08 -1.38 1.07 -0.76 0.41 0.00 0.00 173.24 172.49 1rkx s LEU 41 N -3.05 2.82 0.50 2.44 1.43 -1.20 -0.03 118.68 121.59 1rkx s LEU 41 Ca 0.19 0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 53.39 1rkx s LEU 41 Cb -0.03 -2.81 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 1rkx s LEU 41 CO 0.11 -1.83 1.07 0.41 0.23 0.00 0.00 176.35 176.35 1rkx n THR 42 N -3.06 3.08 -1.44 5.49 -1.04 -1.26 -4.77 114.28 111.28 1rkx n THR 42 Ca 0.10 -0.50 -0.55 0.00 -2.04 0.00 0.00 64.05 61.06 1rkx n THR 42 Cb 0.60 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.76 1rkx n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rkx n ALA 43 N -0.98 -3.42 0.28 2.41 0.00 -1.26 -4.81 120.51 112.73 1rkx n ALA 43 Ca 0.11 0.55 0.17 0.00 0.00 0.00 0.00 53.44 54.26 1rkx n ALA 43 Cb 0.43 -1.69 0.83 0.00 0.00 0.00 0.00 19.45 19.02 1rkx n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rkx h PRO 44 N 2.50 0.00 -3.95 0.00 0.13 -1.87 -3.45 132.00 125.36 1rkx h PRO 44 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1rkx h PRO 44 Cb 1.40 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.40 1rkx h PRO 44 CO 0.62 0.00 -0.37 0.95 -0.23 0.00 0.00 178.00 178.97 1rkx s THR 45 N -3.76 0.07 -0.09 1.56 -4.23 -1.26 -5.07 115.64 102.87 1rkx s THR 45 Ca -0.02 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1rkx s THR 45 Cb 0.10 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.12 1rkx s THR 45 CO 0.36 -0.34 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.41 1rkx s VAL 46 N -3.97 0.45 1.16 2.29 1.01 -1.26 -3.71 120.40 116.36 1rkx s VAL 46 Ca 0.17 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1rkx s VAL 46 Cb 0.04 -0.63 0.27 0.00 0.00 0.00 0.00 36.38 36.06 1rkx s VAL 46 CO -0.00 0.22 1.14 -2.16 0.00 0.00 0.00 175.10 174.30 1rkx s PRO 47 N 1.94 -0.89 0.03 2.72 0.04 -1.26 -5.14 135.00 132.44 1rkx s PRO 47 Ca 0.04 -0.09 -0.13 0.00 0.04 0.00 0.00 61.00 60.87 1rkx s PRO 47 Cb -0.13 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1rkx s PRO 47 CO -0.06 -3.48 0.28 -1.54 0.04 0.00 0.00 177.00 172.23 1rkx s SER 48 N -4.01 -0.11 0.26 6.66 1.04 -1.24 -4.73 113.70 111.56 1rkx s SER 48 Ca 0.71 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 1rkx s SER 48 Cb -0.09 0.33 0.31 0.00 0.10 0.00 0.00 66.02 66.66 1rkx s SER 48 CO 0.56 -0.55 1.86 0.25 0.98 0.00 0.00 173.24 176.34 1rkx h LEU 49 N 3.49 0.99 -0.52 2.42 5.85 -1.89 -0.86 115.31 124.78 1rkx h LEU 49 Ca -0.31 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.41 1rkx h LEU 49 Cb 1.19 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 1rkx h LEU 49 CO 0.45 0.83 -0.21 0.15 -0.34 0.00 0.00 178.44 179.31 1rkx h PHE 50 N 1.09 -0.52 0.13 1.25 3.57 -1.84 0.96 116.94 121.57 1rkx h PHE 50 Ca 0.27 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.63 1rkx h PHE 50 Cb 0.10 0.31 0.02 0.00 2.79 0.00 0.00 35.95 39.16 1rkx h PHE 50 CO 0.01 -0.30 -0.87 0.93 -2.23 0.00 0.00 178.31 175.85 1rkx h GLU 51 N -0.09 0.27 -0.50 1.11 4.39 -1.88 -0.38 114.58 117.49 1rkx h GLU 51 Ca 0.24 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 1rkx h GLU 51 Cb 0.47 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1rkx h GLU 51 CO -0.58 1.22 0.15 1.79 -1.16 0.00 0.00 179.01 180.43 1rkx h THR 52 N -0.41 1.20 -0.72 1.13 1.35 -1.01 -2.57 112.91 111.88 1rkx h THR 52 Ca -0.17 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1rkx h THR 52 Cb 1.62 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1rkx h THR 52 CO 0.12 0.26 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 1rkx n ALA 53 N -2.46 2.60 -3.98 6.62 0.00 0.32 -3.96 120.51 119.65 1rkx n ALA 53 Ca 0.04 -1.39 -0.26 0.00 0.00 0.00 0.00 53.44 51.83 1rkx n ALA 53 Cb 0.19 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1rkx n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkx n ARG 54 N 1.53 -2.94 -0.23 0.00 5.12 -0.97 -4.28 116.66 114.88 1rkx n ARG 54 Ca 0.25 0.37 0.02 0.00 -1.93 0.00 0.00 57.85 56.57 1rkx n ARG 54 Cb 0.71 -4.39 0.26 0.00 -1.16 0.00 0.00 32.46 27.87 1rkx n ARG 54 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1rkx h VAL 55 N -1.85 1.14 -0.16 1.55 2.07 -1.28 -3.06 116.25 114.66 1rkx h VAL 55 Ca -0.64 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 1rkx h VAL 55 Cb 1.38 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1rkx h VAL 55 CO 0.62 0.18 -0.45 0.00 0.02 0.00 0.00 177.57 177.94 1rkx h ALA 56 N 1.53 0.92 -0.79 1.67 0.00 -1.90 -3.32 119.26 117.38 1rkx h ALA 56 Ca 0.31 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1rkx h ALA 56 Cb 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1rkx h ALA 56 CO -0.08 0.64 0.54 -0.44 0.00 0.00 0.00 179.25 179.91 1rkx h ASP 57 N 0.32 0.28 -0.55 0.00 3.32 -1.91 -1.89 116.42 115.99 1rkx h ASP 57 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1rkx h ASP 57 Cb 0.93 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1rkx h ASP 57 CO 0.08 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 1rkx n GLY 58 N -1.57 3.09 3.66 2.75 0.00 -1.25 -4.99 105.19 106.88 1rkx n GLY 58 Ca 0.16 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1rkx n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rkx s MET 59 N -2.75 1.96 -0.37 1.61 0.23 -0.71 -4.82 119.30 114.45 1rkx s MET 59 Ca 0.54 -1.48 -0.20 0.00 -1.03 0.00 0.00 55.69 53.52 1rkx s MET 59 Cb 0.41 0.53 0.01 0.00 -1.53 0.00 0.00 34.83 34.25 1rkx s MET 59 CO 0.16 -0.86 0.62 -1.14 -2.03 0.00 0.00 175.02 171.76 1rkx s GLN 60 N -3.03 3.59 -0.22 3.16 0.74 -0.52 -4.92 119.66 118.45 1rkx s GLN 60 Ca 0.22 -0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.52 1rkx s GLN 60 Cb -0.03 -3.84 -0.01 0.00 1.10 0.00 0.00 33.01 30.24 1rkx s GLN 60 CO 0.14 -0.78 -0.04 0.45 -0.55 0.00 0.00 175.29 174.51 1rkx s SER 61 N 1.83 4.32 -0.08 6.67 0.15 -1.26 -0.48 113.70 124.85 1rkx s SER 61 Ca 0.23 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1rkx s SER 61 Cb -0.15 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 1rkx s SER 61 CO 0.15 -0.02 -0.20 -0.70 1.20 0.00 0.00 173.24 173.68 1rkx s GLU 62 N 1.46 2.80 -0.27 5.44 2.12 0.04 -4.96 118.70 125.33 1rkx s GLU 62 Ca 0.06 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.45 1rkx s GLU 62 Cb -0.14 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 1rkx s GLU 62 CO -0.03 0.36 0.26 0.42 -0.54 0.00 0.00 175.26 175.73 1rkx s ILE 63 N -0.09 5.26 0.08 -3.70 -1.09 -1.26 -2.21 121.20 118.20 1rkx s ILE 63 Ca -0.04 0.33 -0.26 0.00 -2.23 0.00 0.00 60.65 58.44 1rkx s ILE 63 Cb -0.14 -3.59 0.08 0.00 -1.58 0.00 0.00 42.46 37.23 1rkx s ILE 63 CO 0.04 0.23 0.81 -0.83 -1.23 0.00 0.00 174.94 173.96 1rkx s GLY 64 N 1.63 -0.45 -0.14 6.18 0.00 0.96 -4.91 107.32 110.59 1rkx s GLY 64 Ca 0.10 0.66 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 1rkx s GLY 64 CO 0.10 0.21 0.31 -0.35 0.00 0.00 0.00 173.10 173.37 1rkx s ASP 65 N -2.65 6.49 0.00 1.64 -1.08 -1.26 -3.25 116.67 116.55 1rkx s ASP 65 Ca 0.05 0.57 0.15 0.00 -0.52 0.00 0.00 52.55 52.80 1rkx s ASP 65 Cb -0.01 -2.19 0.66 0.00 -1.46 0.00 0.00 42.92 39.92 1rkx s ASP 65 CO -0.07 0.13 1.46 2.30 0.52 0.00 0.00 175.17 179.50 1rkx n ILE 66 N 3.33 0.89 1.43 4.11 -5.35 -1.26 -1.58 119.36 120.92 1rkx n ILE 66 Ca -0.12 0.22 0.14 0.00 -0.27 0.00 0.00 62.75 62.72 1rkx n ILE 66 Cb 0.52 -0.97 0.60 0.00 -1.74 0.00 0.00 39.64 38.05 1rkx n ILE 66 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rkx n ARG 67 N -1.45 0.78 -3.09 6.28 1.74 -1.26 -4.42 116.66 115.24 1rkx n ARG 67 Ca 0.04 -0.29 -0.45 0.00 -0.77 0.00 0.00 57.85 56.38 1rkx n ARG 67 Cb 0.16 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1rkx n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rkx s ASP 68 N -2.42 6.86 0.22 0.55 -1.08 -0.62 -4.91 116.67 115.27 1rkx s ASP 68 Ca 0.30 -2.65 -0.12 0.00 -0.52 0.00 0.00 52.55 49.57 1rkx s ASP 68 Cb 0.20 -2.32 0.29 0.00 -1.46 0.00 0.00 42.92 39.63 1rkx s ASP 68 CO 0.46 -0.75 1.64 -0.61 0.52 0.00 0.00 175.17 176.42 1rkx h GLN 69 N 7.88 0.04 -0.35 4.34 4.15 -1.85 -1.68 115.11 127.64 1rkx h GLN 69 Ca 0.18 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.44 1rkx h GLN 69 Cb 0.97 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1rkx h GLN 69 CO 1.03 0.03 -0.42 -0.97 -1.93 0.00 0.00 178.83 176.57 1rkx h ASN 70 N 0.04 0.97 -0.60 -0.69 -1.24 -1.96 -1.58 115.58 110.52 1rkx h ASN 70 Ca 0.33 -0.49 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 1rkx h ASN 70 Cb 0.53 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 1rkx h ASN 70 CO -0.63 1.26 0.19 0.50 -1.29 0.00 0.00 177.43 177.46 1rkx h LYS 71 N 0.70 0.97 -0.34 6.67 3.64 -1.83 -0.99 116.57 125.40 1rkx h LYS 71 Ca 0.05 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1rkx h LYS 71 Cb 1.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1rkx h LYS 71 CO 0.10 0.84 -0.10 1.25 -2.27 0.00 0.00 179.45 179.27 1rkx h LEU 72 N 0.94 0.67 -0.19 5.20 5.85 -1.25 -1.29 115.31 125.23 1rkx h LEU 72 Ca 0.21 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1rkx h LEU 72 Cb 0.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1rkx h LEU 72 CO -0.01 0.89 -0.05 0.25 -0.34 0.00 0.00 178.44 179.18 1rkx h LEU 73 N 0.44 -0.19 -1.03 2.25 5.85 -0.92 -1.62 115.31 120.07 1rkx h LEU 73 Ca 0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1rkx h LEU 73 Cb 0.61 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1rkx h LEU 73 CO 0.04 -0.07 0.42 -0.08 -0.34 0.00 0.00 178.44 178.40 1rkx h GLU 74 N -0.01 1.09 -0.79 1.25 4.57 -1.11 0.39 114.58 119.97 1rkx h GLU 74 Ca 0.09 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1rkx h GLU 74 Cb 0.15 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 1rkx h GLU 74 CO -0.20 0.81 0.35 1.03 -1.18 0.00 0.00 179.01 179.81 1rkx h SER 75 N 1.10 1.06 0.06 1.04 0.87 -0.61 0.60 113.55 117.66 1rkx h SER 75 Ca 0.28 -0.15 -0.27 0.00 -1.23 0.00 0.00 61.79 60.42 1rkx h SER 75 Cb 0.04 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1rkx h SER 75 CO -0.04 0.92 -1.09 0.40 -0.53 0.00 0.00 176.83 176.49 1rkx h ILE 76 N 1.14 1.30 -0.56 2.23 2.04 -0.98 -2.89 117.51 119.79 1rkx h ILE 76 Ca 0.27 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1rkx h ILE 76 Cb 0.17 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1rkx h ILE 76 CO -0.03 0.71 0.32 -0.09 0.00 0.00 0.00 178.15 179.07 1rkx h ARG 77 N 0.28 0.77 -0.73 2.37 2.43 -0.74 0.12 114.38 118.88 1rkx h ARG 77 Ca -0.15 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1rkx h ARG 77 Cb 1.76 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 1rkx h ARG 77 CO 0.21 0.58 0.32 1.49 -1.51 0.00 0.00 179.97 181.06 1rkx h GLU 78 N 0.75 1.07 0.03 0.20 4.22 -0.94 -3.22 114.58 116.69 1rkx h GLU 78 Ca 0.20 -0.17 -0.27 0.00 0.08 0.00 0.00 59.36 59.20 1rkx h GLU 78 Cb 0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1rkx h GLU 78 CO -0.03 0.85 -1.41 0.35 -2.18 0.00 0.00 179.01 176.59 1rkx h PHE 79 N 1.06 0.12 -5.79 0.92 3.57 -1.24 -3.49 116.94 112.08 1rkx h PHE 79 Ca 0.25 -0.09 -0.34 0.00 3.53 0.00 0.00 57.97 61.33 1rkx h PHE 79 Cb 0.16 -0.00 0.14 0.00 2.79 0.00 0.00 35.95 39.04 1rkx h PHE 79 CO 0.02 1.11 -0.87 1.04 -2.23 0.00 0.00 178.31 177.38 1rkx n GLN 80 N -3.26 -2.95 -2.10 1.11 1.13 0.39 -4.95 117.38 106.75 1rkx n GLN 80 Ca -0.11 0.72 -0.34 0.00 -1.94 0.00 0.00 57.00 55.33 1rkx n GLN 80 Cb 1.01 -5.28 0.01 0.00 0.11 0.00 0.00 30.24 26.09 1rkx n GLN 80 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1rkx s PRO 81 N -5.19 3.24 -0.06 -1.09 0.04 -1.26 -4.92 135.00 125.75 1rkx s PRO 81 Ca 0.33 1.41 0.19 0.00 0.04 0.00 0.00 61.00 62.97 1rkx s PRO 81 Cb -0.07 -2.01 -0.28 0.00 0.04 0.00 0.00 34.50 32.18 1rkx s PRO 81 CO 0.78 -0.90 0.34 0.39 0.04 0.00 0.00 177.00 177.65 1rkx n GLU 82 N -1.77 0.70 -4.24 4.56 1.02 -0.26 -3.87 120.64 116.77 1rkx n GLU 82 Ca 0.10 -0.14 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 1rkx n GLU 82 Cb 0.52 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.33 1rkx n GLU 82 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rkx s ILE 83 N -3.13 0.56 -0.04 -3.67 1.01 -1.02 -0.02 121.20 114.89 1rkx s ILE 83 Ca -0.07 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1rkx s ILE 83 Cb 0.11 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1rkx s ILE 83 CO 0.79 0.19 -0.12 -0.69 0.00 0.00 0.00 174.94 175.11 1rkx s VAL 84 N 0.23 1.03 -0.23 2.92 1.01 0.01 -1.02 120.40 124.35 1rkx s VAL 84 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1rkx s VAL 84 Cb -0.07 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1rkx s VAL 84 CO -0.00 0.32 -0.12 -0.36 0.00 0.00 0.00 175.10 174.94 1rkx s PHE 85 N 0.36 3.07 -0.53 5.22 0.40 -0.24 -0.51 117.98 125.75 1rkx s PHE 85 Ca -0.08 -1.91 -0.17 0.00 -0.60 0.00 0.00 56.93 54.17 1rkx s PHE 85 Cb -0.12 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.53 1rkx s PHE 85 CO 0.02 -0.82 0.55 -1.58 0.70 0.00 0.00 175.22 174.10 1rkx s HIS 86 N 1.22 3.14 -0.25 0.36 2.46 -0.36 -1.62 115.29 120.23 1rkx s HIS 86 Ca -0.02 -0.94 0.03 0.00 0.47 0.00 0.00 55.06 54.60 1rkx s HIS 86 Cb -0.17 -3.63 -0.01 0.00 -0.13 0.00 0.00 32.58 28.64 1rkx s HIS 86 CO -0.07 -1.04 0.31 -1.33 -2.47 0.00 0.00 174.74 170.14 1rkx n MET 87 N 5.73 3.59 -2.25 2.88 2.81 -0.91 -1.30 117.12 127.67 1rkx n MET 87 Ca -0.11 -0.26 -0.42 0.00 -1.81 0.00 0.00 57.70 55.11 1rkx n MET 87 Cb 0.43 -0.80 -0.03 0.00 -0.71 0.00 0.00 33.22 32.11 1rkx n MET 87 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rkx s ALA 88 N -0.92 3.52 -0.15 3.04 0.00 -1.13 -4.72 121.76 121.40 1rkx s ALA 88 Ca 0.02 1.05 -0.34 0.00 0.00 0.00 0.00 51.96 52.69 1rkx s ALA 88 Cb 0.03 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.79 1rkx s ALA 88 CO 0.10 -0.53 1.28 0.00 0.00 0.00 0.00 175.76 176.60 1rkx s ALA 89 N 0.64 -2.17 -0.60 0.00 0.00 -1.26 -4.90 121.76 113.47 1rkx s ALA 89 Ca 0.60 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.67 1rkx s ALA 89 Cb -0.35 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1rkx s ALA 89 CO 0.33 -0.75 0.93 -1.14 0.00 0.00 0.00 175.76 175.13 1rkx s GLN 90 N -2.33 3.21 0.00 0.00 -0.44 -1.26 -4.91 119.66 113.93 1rkx s GLN 90 Ca 0.12 -0.58 0.27 0.00 -2.50 0.00 0.00 55.36 52.67 1rkx s GLN 90 Cb 0.01 -4.14 1.05 0.00 -1.64 0.00 0.00 33.01 28.29 1rkx s GLN 90 CO -0.04 -1.63 1.74 -0.35 0.50 0.00 0.00 175.29 175.51 1rkx n PRO 91 N 7.50 1.63 -3.63 1.67 -0.04 -1.26 -4.93 135.00 135.94 1rkx n PRO 91 Ca -0.02 -0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 62.15 1rkx n PRO 91 Cb 0.46 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1rkx n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rkx s LEU 92 N -1.93 4.12 0.02 1.53 1.43 -1.26 -4.99 118.68 117.60 1rkx s LEU 92 Ca 0.38 0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 1rkx s LEU 92 Cb 0.20 -2.15 -0.16 0.00 0.03 0.00 0.00 46.19 44.11 1rkx s LEU 92 CO 0.32 0.05 1.29 0.58 0.23 0.00 0.00 176.35 178.83 1rkx h VAL 93 N 5.01 0.53 -0.50 -1.59 2.07 -1.98 -1.44 116.25 118.35 1rkx h VAL 93 Ca -0.38 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1rkx h VAL 93 Cb 1.17 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 1rkx h VAL 93 CO 0.67 0.07 -0.15 -0.09 0.02 0.00 0.00 177.57 178.09 1rkx h ARG 94 N -0.83 -0.03 -0.13 1.57 1.12 -2.02 0.72 114.38 114.78 1rkx h ARG 94 Ca -0.06 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1rkx h ARG 94 Cb 0.55 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 1rkx h ARG 94 CO 0.09 -0.02 -0.09 1.25 -3.11 0.00 0.00 179.97 178.09 1rkx h LEU 95 N -0.03 0.18 -2.21 3.80 5.85 -1.98 -2.22 115.31 118.70 1rkx h LEU 95 Ca 0.24 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1rkx h LEU 95 Cb 0.40 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1rkx h LEU 95 CO -0.53 0.30 -0.06 0.77 -0.34 0.00 0.00 178.44 178.58 1rkx h SER 96 N 0.19 0.00 0.20 1.25 4.64 0.29 0.35 113.55 120.47 1rkx h SER 96 Ca 0.04 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1rkx h SER 96 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1rkx h SER 96 CO 0.02 0.06 -0.70 1.88 -0.87 0.00 0.00 176.83 177.21 1rkx h TYR 97 N 0.00 0.59 0.00 4.77 -1.99 -1.21 -2.24 116.97 116.89 1rkx h TYR 97 Ca -0.00 -0.25 -0.04 0.00 2.00 0.00 0.00 58.73 60.44 1rkx h TYR 97 Cb 0.19 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1rkx h TYR 97 CO 0.00 1.01 -0.97 0.66 -0.00 0.00 0.00 178.16 178.86 1rkx h SER 98 N 0.31 0.00 -2.07 3.88 4.64 -1.40 -3.39 113.55 115.52 1rkx h SER 98 Ca -0.03 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.76 1rkx h SER 98 Cb 1.27 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.96 1rkx h SER 98 CO 0.12 0.13 -1.02 -0.62 -0.87 0.00 0.00 176.83 174.58 1rkx n GLU 99 N -2.78 1.49 -0.26 4.77 1.02 0.03 -4.95 120.64 119.95 1rkx n GLU 99 Ca -0.01 -3.75 -0.06 0.00 -0.02 0.00 0.00 57.16 53.32 1rkx n GLU 99 Cb 0.61 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 1rkx n GLU 99 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1rkx h PRO 100 N 3.34 1.01 0.01 3.49 0.13 -1.61 -2.25 132.00 136.12 1rkx h PRO 100 Ca 0.11 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1rkx h PRO 100 Cb 0.83 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1rkx h PRO 100 CO 0.58 0.78 -0.02 0.28 -0.23 0.00 0.00 178.00 179.40 1rkx h VAL 101 N 0.99 0.96 -0.31 1.56 2.07 -1.92 -1.09 116.25 118.51 1rkx h VAL 101 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1rkx h VAL 101 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1rkx h VAL 101 CO -0.03 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.39 1rkx h GLU 102 N -0.04 0.42 -0.18 1.57 5.08 -1.95 0.11 114.58 119.59 1rkx h GLU 102 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1rkx h GLU 102 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1rkx h GLU 102 CO -0.01 0.31 0.02 1.15 -1.00 0.00 0.00 179.01 179.49 1rkx h THR 103 N 0.43 1.23 -0.34 1.13 2.02 -0.76 -1.79 112.91 114.83 1rkx h THR 103 Ca 0.11 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 1rkx h THR 103 Cb 0.02 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1rkx h THR 103 CO -0.02 0.23 -0.11 1.88 0.37 0.00 0.00 175.52 177.87 1rkx h TYR 104 N 0.08 0.76 -0.52 3.16 -1.99 -0.58 -0.03 116.97 117.85 1rkx h TYR 104 Ca 0.05 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1rkx h TYR 104 Cb 0.33 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1rkx h TYR 104 CO 0.02 0.85 0.33 0.66 -0.00 0.00 0.00 178.16 180.02 1rkx h SER 105 N 0.45 0.61 0.04 3.88 4.64 -1.02 0.16 113.55 122.31 1rkx h SER 105 Ca 0.08 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1rkx h SER 105 Cb 0.62 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1rkx h SER 105 CO 0.04 0.47 -0.02 0.74 -0.87 0.00 0.00 176.83 177.19 1rkx h THR 106 N 0.70 1.27 0.08 2.95 2.02 -1.26 -1.22 112.91 117.46 1rkx h THR 106 Ca 0.19 -1.07 -0.27 0.00 0.77 0.00 0.00 66.41 66.04 1rkx h THR 106 Cb -0.04 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1rkx h THR 106 CO -0.04 0.27 -1.14 0.78 0.37 0.00 0.00 175.52 175.76 1rkx h ASN 107 N -0.53 0.62 0.00 4.18 2.35 -0.98 -2.77 115.58 118.44 1rkx h ASN 107 Ca -0.01 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 1rkx h ASN 107 Cb 0.48 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1rkx h ASN 107 CO 0.01 1.40 -0.38 0.58 -1.65 0.00 0.00 177.43 177.39 1rkx h VAL 108 N 0.20 0.00 -0.26 2.81 2.07 -0.83 -3.30 116.25 116.94 1rkx h VAL 108 Ca -0.13 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1rkx h VAL 108 Cb 1.81 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1rkx h VAL 108 CO 0.20 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.99 1rkx h MET 109 N -0.77 0.40 -0.63 1.57 2.86 -1.30 -0.93 114.93 116.13 1rkx h MET 109 Ca 0.00 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 109 Cb 0.38 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1rkx h MET 109 CO 0.00 0.46 0.40 0.78 1.06 0.00 0.00 176.91 179.61 1rkx h GLY 110 N 0.77 0.90 1.02 8.32 0.00 -0.93 0.32 103.07 113.47 1rkx h GLY 110 Ca 0.08 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1rkx h GLY 110 CO 0.01 0.27 0.01 -0.84 0.00 0.00 0.00 176.54 175.99 1rkx h THR 111 N 0.79 1.26 -0.25 4.70 2.02 -1.48 -1.71 112.91 118.24 1rkx h THR 111 Ca 0.25 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.36 1rkx h THR 111 Cb -0.01 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1rkx h THR 111 CO -0.09 0.38 0.15 0.58 0.37 0.00 0.00 175.52 176.92 1rkx h VAL 112 N 0.78 1.04 -0.63 3.16 2.07 -0.30 -1.47 116.25 120.89 1rkx h VAL 112 Ca 0.15 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1rkx h VAL 112 Cb 0.51 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1rkx h VAL 112 CO 0.03 0.06 0.32 1.88 0.02 0.00 0.00 177.57 179.87 1rkx h TYR 113 N 0.32 0.87 0.01 1.57 0.99 -0.27 0.33 116.97 120.78 1rkx h TYR 113 Ca 0.10 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1rkx h TYR 113 Cb -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 37.44 1rkx h TYR 113 CO -0.07 0.62 -0.00 1.25 -0.00 0.00 0.00 178.16 179.96 1rkx h LEU 114 N 0.88 -0.01 -1.00 3.88 5.85 -0.99 -1.44 115.31 122.49 1rkx h LEU 114 Ca 0.22 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1rkx h LEU 114 Cb 0.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1rkx h LEU 114 CO -0.03 0.30 0.26 -0.07 -0.34 0.00 0.00 178.44 178.55 1rkx h LEU 115 N -0.32 0.90 -0.62 2.25 3.38 -1.06 -1.52 115.31 118.32 1rkx h LEU 115 Ca -0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1rkx h LEU 115 Cb 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1rkx h LEU 115 CO 0.00 0.80 0.17 -0.08 0.09 0.00 0.00 178.44 179.43 1rkx h GLU 116 N 0.96 0.97 -0.35 1.13 4.57 -0.86 -0.19 114.58 120.81 1rkx h GLU 116 Ca 0.22 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1rkx h GLU 116 Cb 0.19 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1rkx h GLU 116 CO -0.02 0.87 0.19 0.00 -1.18 0.00 0.00 179.01 178.87 1rkx h ALA 117 N 1.06 0.45 -0.84 2.92 0.00 -0.86 -2.02 119.26 119.96 1rkx h ALA 117 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rkx h ALA 117 Cb 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1rkx h ALA 117 CO -0.00 -0.02 0.50 0.82 0.00 0.00 0.00 179.25 180.54 1rkx h ILE 118 N 0.43 1.24 -0.48 0.00 2.04 -1.03 0.35 117.51 120.06 1rkx h ILE 118 Ca 0.12 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1rkx h ILE 118 Cb 0.07 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 1rkx h ILE 118 CO -0.02 0.25 0.26 -0.09 0.00 0.00 0.00 178.15 178.56 1rkx h ARG 119 N 1.16 0.51 0.17 2.37 2.43 -0.66 -2.23 114.38 118.12 1rkx h ARG 119 Ca 0.30 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 1rkx h ARG 119 Cb -0.03 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1rkx h ARG 119 CO -0.05 0.33 -1.44 0.45 -1.51 0.00 0.00 179.97 177.75 1rkx h HIS 120 N 0.52 0.65 -0.49 2.20 3.86 -1.04 -3.35 115.15 117.51 1rkx h HIS 120 Ca 0.20 -0.48 -0.10 0.00 -1.16 0.00 0.00 60.37 58.84 1rkx h HIS 120 Cb 0.08 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1rkx h HIS 120 CO -0.09 1.43 -0.07 0.28 0.86 0.00 0.00 177.93 180.34 1rkx h VAL 121 N 0.10 1.27 -1.00 2.45 2.07 -0.93 -3.49 116.25 116.71 1rkx h VAL 121 Ca -0.22 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.22 1rkx h VAL 121 Cb 2.06 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1rkx h VAL 121 CO 0.21 0.42 -0.27 0.61 0.02 0.00 0.00 177.57 178.56 1rkx n GLY 122 N -0.28 -2.13 2.61 2.17 0.00 -0.84 -4.94 105.19 101.79 1rkx n GLY 122 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1rkx n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkx n GLY 123 N -3.00 2.58 3.68 -0.02 0.00 -1.26 -4.91 105.19 102.26 1rkx n GLY 123 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1rkx n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkx s VAL 124 N -2.50 4.32 -0.10 1.61 1.01 -1.25 -4.56 120.40 118.92 1rkx s VAL 124 Ca 0.00 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.63 1rkx s VAL 124 Cb 0.00 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1rkx s VAL 124 CO 0.00 -0.04 0.43 0.29 0.00 0.00 0.00 175.10 175.77 1rkx n LYS 125 N 5.60 0.70 -4.04 2.72 4.76 0.97 -3.94 118.16 124.94 1rkx n LYS 125 Ca 0.12 0.26 -0.17 0.00 -2.87 0.00 0.00 58.31 55.64 1rkx n LYS 125 Cb 0.46 -1.72 -0.16 0.00 -1.84 0.00 0.00 35.03 31.77 1rkx n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rkx s ALA 126 N -2.57 0.40 -0.11 7.82 0.00 -0.86 -1.17 121.76 125.28 1rkx s ALA 126 Ca -0.16 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1rkx s ALA 126 Cb 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1rkx s ALA 126 CO 0.78 -0.00 -0.12 0.08 0.00 0.00 0.00 175.76 176.50 1rkx s VAL 127 N 0.63 1.31 -0.30 0.00 1.01 -0.41 -0.81 120.40 121.82 1rkx s VAL 127 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1rkx s VAL 127 Cb -0.10 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1rkx s VAL 127 CO -0.01 0.41 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 1rkx s VAL 128 N 1.27 2.45 -0.35 2.92 1.01 0.33 -0.94 120.40 127.09 1rkx s VAL 128 Ca -0.02 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.00 1rkx s VAL 128 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1rkx s VAL 128 CO -0.05 -0.25 0.37 0.21 0.00 0.00 0.00 175.10 175.39 1rkx s ASN 129 N 1.13 6.18 -0.32 3.32 2.47 -0.09 -1.22 114.94 126.42 1rkx s ASN 129 Ca -0.02 -0.31 -0.29 0.00 0.42 0.00 0.00 52.86 52.67 1rkx s ASN 129 Cb -0.20 -2.20 0.02 0.00 -1.45 0.00 0.00 41.25 37.42 1rkx s ASN 129 CO -0.05 -0.38 1.06 -0.63 -3.72 0.00 0.00 177.10 173.39 1rkx s ILE 130 N 2.03 4.52 0.00 -5.21 1.09 -0.42 -1.34 121.20 121.87 1rkx s ILE 130 Ca 0.12 1.72 0.00 0.00 -1.10 0.00 0.00 60.65 61.39 1rkx s ILE 130 Cb -0.17 -4.41 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 1rkx s ILE 130 CO 0.12 -0.47 0.00 0.35 -0.10 0.00 0.00 174.94 174.84 1rkx n THR 131 N 5.85 0.00 -3.60 2.92 -2.24 -0.80 -4.79 114.28 111.61 1rkx n THR 131 Ca 0.12 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1rkx n THR 131 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1rkx n THR 131 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rkx s SER 132 N -0.58 -0.13 0.40 3.42 0.15 -1.26 -4.90 113.70 110.80 1rkx s SER 132 Ca 0.00 0.03 0.28 0.00 0.70 0.00 0.00 55.95 56.97 1rkx s SER 132 Cb 0.00 0.13 1.13 0.00 -1.71 0.00 0.00 66.02 65.57 1rkx s SER 132 CO 0.00 -0.20 1.84 -2.24 1.20 0.00 0.00 173.24 173.84 1rkx h ASP 133 N 2.05 0.00 -0.14 5.45 2.03 -1.77 -2.84 116.42 121.20 1rkx h ASP 133 Ca -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1rkx h ASP 133 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1rkx h ASP 133 CO 0.23 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.73 1rkx n LYS 134 N -2.66 1.42 0.17 4.15 4.76 -1.26 -3.93 118.16 120.80 1rkx n LYS 134 Ca 0.02 -0.64 0.13 0.00 -2.87 0.00 0.00 58.31 54.95 1rkx n LYS 134 Cb 0.29 -1.25 0.48 0.00 -1.84 0.00 0.00 35.03 32.71 1rkx n LYS 134 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rkx s TYR 136 N -3.33 3.89 0.03 0.00 1.51 -1.25 -0.36 117.35 117.84 1rkx s TYR 136 Ca 0.05 1.86 -0.31 0.00 -1.01 0.00 0.00 57.07 57.66 1rkx s TYR 136 Cb 0.09 -3.05 -0.10 0.00 -0.11 0.00 0.00 41.96 38.80 1rkx s TYR 136 CO 0.50 0.23 1.92 -3.47 -1.11 0.00 0.00 175.55 173.62 1rkx n ASP 137 N 1.61 3.98 -4.61 2.29 2.03 0.17 -4.17 116.55 117.85 1rkx n ASP 137 Ca -0.01 0.94 -0.43 0.00 0.52 0.00 0.00 54.79 55.80 1rkx n ASP 137 Cb 0.47 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 1rkx n ASP 137 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rkx s ASN 138 N 3.98 6.44 0.00 1.67 3.84 -1.26 -4.88 114.94 124.73 1rkx s ASN 138 Ca 0.88 0.83 0.27 0.00 0.21 0.00 0.00 52.86 55.05 1rkx s ASN 138 Cb -0.50 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 38.62 1rkx s ASN 138 CO 0.43 -1.35 1.69 0.29 -2.79 0.00 0.00 177.10 175.37 1rkx n LYS 139 N 7.92 1.05 -3.83 0.43 4.76 -1.26 -4.95 118.16 122.28 1rkx n LYS 139 Ca 0.15 -0.56 -0.25 0.00 -2.87 0.00 0.00 58.31 54.79 1rkx n LYS 139 Cb 0.48 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1rkx n LYS 139 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rkx n GLU 140 N -0.49 -4.47 -4.70 1.97 -0.58 -1.26 -4.98 120.64 106.14 1rkx n GLU 140 Ca 0.15 0.54 -0.31 0.00 -0.42 0.00 0.00 57.16 57.12 1rkx n GLU 140 Cb 0.33 -5.04 -0.08 0.00 -0.57 0.00 0.00 31.44 26.08 1rkx n GLU 140 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1rkx s TRP 141 N -3.68 1.87 -1.42 -0.32 -2.14 -1.26 -4.95 118.94 107.04 1rkx s TRP 141 Ca 0.14 -1.03 0.29 0.00 2.66 0.00 0.00 56.10 58.17 1rkx s TRP 141 Cb -0.07 -1.50 1.30 0.00 -3.10 0.00 0.00 33.47 30.09 1rkx s TRP 141 CO 0.84 0.11 1.92 0.44 -2.66 0.00 0.00 176.95 177.60 1rkx n ILE 142 N -1.17 0.00 -3.57 0.66 -5.35 -1.26 -4.27 119.36 104.40 1rkx n ILE 142 Ca -0.15 -0.02 -0.33 0.00 -0.27 0.00 0.00 62.75 61.97 1rkx n ILE 142 Cb 0.66 -0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.22 1rkx n ILE 142 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1rkx s TRP 143 N -2.63 3.50 0.24 4.28 0.51 -1.26 -4.91 118.94 118.68 1rkx s TRP 143 Ca 0.25 0.72 -0.30 0.00 -2.12 0.00 0.00 56.10 54.66 1rkx s TRP 143 Cb 0.20 -2.12 -0.09 0.00 -0.81 0.00 0.00 33.47 30.65 1rkx s TRP 143 CO 0.49 0.43 1.06 0.20 -0.51 0.00 0.00 176.95 178.62 1rkx s GLY 144 N -2.16 3.02 0.36 0.98 0.00 -1.26 -4.63 107.32 103.63 1rkx s GLY 144 Ca 0.40 0.81 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 1rkx s GLY 144 CO 0.21 1.47 1.13 -0.19 0.00 0.00 0.00 173.10 175.72 1rkx s TYR 145 N -0.90 3.27 0.07 1.90 1.51 -0.51 -4.16 117.35 118.52 1rkx s TYR 145 Ca 0.45 1.61 0.01 0.00 -1.01 0.00 0.00 57.07 58.13 1rkx s TYR 145 Cb -0.30 -3.32 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 1rkx s TYR 145 CO 0.37 -0.96 0.19 1.03 -1.11 0.00 0.00 175.55 175.07 1rkx s ARG 146 N -2.04 3.31 0.64 -0.62 0.52 -1.26 -1.04 118.95 118.46 1rkx s ARG 146 Ca 0.53 -0.51 0.36 0.00 -0.52 0.00 0.00 55.73 55.58 1rkx s ARG 146 Cb -0.30 -2.96 1.99 0.00 0.52 0.00 0.00 34.95 34.20 1rkx s ARG 146 CO 0.38 0.59 2.18 0.93 0.02 0.00 0.00 175.30 179.39 1rkx h GLU 147 N 3.03 0.00 -0.18 3.54 3.07 -1.92 -2.01 114.58 120.10 1rkx h GLU 147 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1rkx h GLU 147 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1rkx h GLU 147 CO 0.73 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.61 1rkx n ASN 148 N -3.26 1.53 -4.92 1.42 6.94 -1.26 -4.93 115.26 110.79 1rkx n ASN 148 Ca -0.02 -1.74 -0.26 0.00 -0.02 0.00 0.00 54.58 52.54 1rkx n ASN 148 Cb 0.22 -0.12 0.01 0.00 -2.36 0.00 0.00 39.78 37.53 1rkx n ASN 148 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rkx s GLU 149 N -1.76 3.31 0.35 -3.83 2.02 -0.76 -5.03 118.70 113.00 1rkx s GLU 149 Ca 0.30 0.01 -0.28 0.00 0.02 0.00 0.00 54.97 55.02 1rkx s GLU 149 Cb 0.16 -2.40 -0.12 0.00 0.10 0.00 0.00 34.13 31.87 1rkx s GLU 149 CO 0.23 -0.31 1.31 0.00 0.02 0.00 0.00 175.26 176.51 1rkx n ALA 150 N -2.28 1.40 -2.27 5.21 0.00 -1.26 -4.92 120.51 116.40 1rkx n ALA 150 Ca 0.01 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1rkx n ALA 150 Cb 0.56 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1rkx n ALA 150 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rkx s MET 151 N -1.92 3.73 0.00 0.00 -1.94 -1.26 -0.66 119.30 117.25 1rkx s MET 151 Ca 0.55 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 1rkx s MET 151 Cb -0.56 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 33.84 1rkx s MET 151 CO 0.62 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 176.05 1rkx n GLY 152 N -1.27 -0.76 0.00 -0.03 0.00 0.52 -4.15 105.19 99.48 1rkx n GLY 152 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1rkx n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkx n GLY 153 N 0.00 4.11 0.19 -0.02 0.00 -1.26 -3.76 105.19 104.46 1rkx n GLY 153 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 1rkx n GLY 153 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rkx h TYR 154 N 0.00 -0.39 -4.27 1.61 3.20 -1.90 -3.36 116.97 111.86 1rkx h TYR 154 Ca 0.00 -0.01 -0.50 0.00 3.14 0.00 0.00 58.73 61.36 1rkx h TYR 154 Cb 0.00 0.13 0.06 0.00 1.54 0.00 0.00 36.73 38.46 1rkx h TYR 154 CO 0.00 -0.24 0.37 0.16 -1.64 0.00 0.00 178.16 176.81 1rkx s ASP 155 N -4.67 5.93 0.31 -2.11 -4.77 -1.26 -4.83 116.67 105.27 1rkx s ASP 155 Ca -0.06 1.22 0.04 0.00 -3.30 0.00 0.00 52.55 50.46 1rkx s ASP 155 Cb 0.01 -2.22 0.66 0.00 -1.09 0.00 0.00 42.92 40.28 1rkx s ASP 155 CO 0.19 -1.01 1.83 -0.65 0.70 0.00 0.00 175.17 176.23 1rkx h PRO 156 N -0.36 0.84 0.57 2.11 0.11 -1.90 0.52 132.00 133.89 1rkx h PRO 156 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1rkx h PRO 156 Cb 1.22 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1rkx h PRO 156 CO 0.62 0.56 -0.27 -0.92 -0.21 0.00 0.00 178.00 177.78 1rkx h TYR 157 N 0.87 -0.71 -0.45 0.65 3.20 -1.86 0.20 116.97 118.87 1rkx h TYR 157 Ca 0.50 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.41 1rkx h TYR 157 Cb 0.64 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 1rkx h TYR 157 CO -0.00 -0.38 0.16 0.77 -1.64 0.00 0.00 178.16 177.07 1rkx h SER 158 N -0.95 0.17 -0.51 -2.11 0.02 -1.77 -2.07 113.55 106.32 1rkx h SER 158 Ca -0.08 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1rkx h SER 158 Cb 0.64 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1rkx h SER 158 CO 0.13 0.13 0.12 -1.13 -1.14 0.00 0.00 176.83 174.94 1rkx h ASN 159 N 0.33 0.82 0.27 3.07 -0.73 -0.86 -1.71 115.58 116.77 1rkx h ASN 159 Ca 0.21 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 1rkx h ASN 159 Cb 0.21 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1rkx h ASN 159 CO -0.22 0.81 -0.25 0.77 -0.37 0.00 0.00 177.43 178.17 1rkx h SER 160 N 0.83 0.00 0.42 1.15 4.64 -0.02 0.06 113.55 120.64 1rkx h SER 160 Ca 0.18 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.29 1rkx h SER 160 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rkx h SER 160 CO 0.00 0.25 -0.87 0.11 -0.87 0.00 0.00 176.83 175.45 1rkx h LYS 161 N 0.00 0.32 -0.67 4.77 1.79 -0.73 0.18 116.57 122.23 1rkx h LYS 161 Ca -0.00 -0.33 -0.08 0.00 -2.18 0.00 0.00 60.65 58.06 1rkx h LYS 161 Cb 0.45 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1rkx h LYS 161 CO 0.03 1.01 0.11 0.78 -1.08 0.00 0.00 179.45 180.31 1rkx h GLY 162 N 1.49 1.19 1.06 3.86 0.00 -0.54 -1.68 103.07 108.45 1rkx h GLY 162 Ca -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.41 1rkx h GLY 162 CO 0.14 0.73 0.08 0.00 0.00 0.00 0.00 176.54 177.49 1rkx h ALA 164 N 1.02 1.62 -0.17 0.00 0.00 -0.56 0.97 119.26 122.13 1rkx h ALA 164 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rkx h ALA 164 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rkx h ALA 164 CO 0.02 0.35 0.01 0.93 0.00 0.00 0.00 179.25 180.56 1rkx h GLU 165 N 0.74 0.31 -0.33 0.00 4.39 -0.97 -1.37 114.58 117.34 1rkx h GLU 165 Ca 0.20 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1rkx h GLU 165 Cb -0.07 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1rkx h GLU 165 CO -0.04 0.51 0.18 -0.07 -1.16 0.00 0.00 179.01 178.43 1rkx h LEU 166 N 0.06 0.29 -0.34 1.33 4.07 -0.78 -1.05 115.31 118.89 1rkx h LEU 166 Ca 0.05 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.07 1rkx h LEU 166 Cb 0.37 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 1rkx h LEU 166 CO 0.01 0.21 0.03 0.58 -1.08 0.00 0.00 178.44 178.19 1rkx h VAL 167 N 0.37 0.79 -0.83 1.22 2.07 -0.73 -0.73 116.25 118.43 1rkx h VAL 167 Ca 0.13 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1rkx h VAL 167 Cb 0.02 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1rkx h VAL 167 CO -0.07 0.03 0.46 0.74 0.02 0.00 0.00 177.57 178.74 1rkx h THR 168 N 0.14 1.24 -0.33 2.57 2.02 -0.97 -0.51 112.91 117.07 1rkx h THR 168 Ca 0.16 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1rkx h THR 168 Cb 0.20 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1rkx h THR 168 CO -0.24 0.27 0.21 -1.28 0.37 0.00 0.00 175.52 174.85 1rkx h SER 169 N 1.15 0.39 -0.35 4.18 0.87 -0.47 -1.17 113.55 118.15 1rkx h SER 169 Ca 0.29 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1rkx h SER 169 Cb 0.03 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1rkx h SER 169 CO -0.05 0.32 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.21 1rkx h SER 170 N 0.44 0.67 -0.86 6.23 0.87 -0.85 -1.25 113.55 118.81 1rkx h SER 170 Ca 0.12 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1rkx h SER 170 Cb -0.01 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 1rkx h SER 170 CO -0.02 0.88 0.56 1.88 -0.53 0.00 0.00 176.83 179.59 1rkx h TYR 171 N 0.46 1.09 0.02 2.24 -1.99 -0.99 0.16 116.97 117.95 1rkx h TYR 171 Ca 0.09 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1rkx h TYR 171 Cb 0.58 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1rkx h TYR 171 CO 0.05 0.69 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.80 1rkx h ARG 172 N 1.16 -0.03 -0.81 4.88 2.43 -1.09 0.37 114.38 121.30 1rkx h ARG 172 Ca 0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1rkx h ARG 172 Cb -0.12 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1rkx h ARG 172 CO -0.07 0.15 0.38 -0.91 -1.51 0.00 0.00 179.97 178.01 1rkx h ASN 173 N -0.19 1.06 0.22 -3.80 -0.26 -0.95 0.22 115.58 111.87 1rkx h ASN 173 Ca -0.00 -0.13 -0.35 0.00 -0.56 0.00 0.00 56.30 55.26 1rkx h ASN 173 Cb 0.18 -0.27 0.02 0.00 -1.06 0.00 0.00 38.32 37.19 1rkx h ASN 173 CO 0.00 0.90 -1.68 0.28 -1.06 0.00 0.00 177.43 175.88 1rkx h SER 174 N 1.16 0.68 0.00 5.81 0.02 -0.59 -3.39 113.55 117.23 1rkx h SER 174 Ca 0.28 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1rkx h SER 174 Cb 0.13 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1rkx h SER 174 CO -0.03 1.76 -0.72 0.49 -1.14 0.00 0.00 176.83 177.19 1rkx n PHE 175 N -3.62 0.00 -2.44 3.45 3.01 0.13 -4.75 117.46 113.24 1rkx n PHE 175 Ca -0.22 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.09 1rkx n PHE 175 Cb 1.08 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.57 1rkx n PHE 175 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1rkx n PHE 176 N -1.36 2.18 -2.05 1.38 3.01 -0.31 -4.96 117.46 115.34 1rkx n PHE 176 Ca -0.00 -2.41 -0.41 0.00 1.01 0.00 0.00 57.45 55.64 1rkx n PHE 176 Cb 0.01 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.19 1rkx n PHE 176 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1rkx s ASN 177 N -3.59 6.70 0.28 4.37 3.84 0.62 -4.70 114.94 122.46 1rkx s ASN 177 Ca 0.40 2.66 0.03 0.00 0.21 0.00 0.00 52.86 56.16 1rkx s ASN 177 Cb 0.39 -2.63 0.65 0.00 -0.55 0.00 0.00 41.25 39.10 1rkx s ASN 177 CO -0.02 -0.64 1.77 -0.65 -2.79 0.00 0.00 177.10 174.76 1rkx h PRO 178 N 4.51 0.67 0.00 0.43 0.11 -1.92 0.14 132.00 135.93 1rkx h PRO 178 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rkx h PRO 178 Cb 1.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1rkx h PRO 178 CO 0.74 0.44 -0.01 0.00 -0.21 0.00 0.00 178.00 178.95 1rkx h ALA 179 N 1.61 1.08 -0.32 -0.75 0.00 -1.99 -1.70 119.26 117.20 1rkx h ALA 179 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1rkx h ALA 179 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rkx h ALA 179 CO -0.38 0.01 0.00 0.09 0.00 0.00 0.00 179.25 178.97 1rkx n ASN 180 N -3.22 3.00 0.18 0.00 3.02 0.42 -4.64 115.26 114.03 1rkx n ASN 180 Ca -0.02 -2.14 0.16 0.00 -0.03 0.00 0.00 54.58 52.55 1rkx n ASN 180 Cb 0.13 -0.26 0.78 0.00 -0.61 0.00 0.00 39.78 39.81 1rkx n ASN 180 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rkx h TYR 181 N 1.87 0.00 0.00 3.10 3.20 -0.55 0.34 116.97 124.93 1rkx h TYR 181 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1rkx h TYR 181 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1rkx h TYR 181 CO 0.25 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.18 1rkx n GLY 182 N -1.47 -1.30 0.12 1.82 0.00 -1.26 -0.55 105.19 102.56 1rkx n GLY 182 Ca 0.02 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1rkx n GLY 182 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rkx n GLN 183 N -2.20 0.57 -0.00 1.61 6.02 0.11 -4.73 117.38 118.76 1rkx n GLN 183 Ca 0.02 0.26 -0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1rkx n GLN 183 Cb 0.24 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.88 1rkx n GLN 183 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 1rkx h HIS 184 N -1.00 0.00 -0.71 1.08 2.07 -1.45 -3.48 115.15 111.65 1rkx h HIS 184 Ca -0.49 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 56.72 1rkx h HIS 184 Cb 1.42 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.28 1rkx h HIS 184 CO -0.18 0.95 -0.28 0.41 -3.07 0.00 0.00 177.93 175.77 1rkx n GLY 185 N 1.50 1.50 3.49 6.13 0.00 0.29 -4.68 105.19 113.42 1rkx n GLY 185 Ca -0.13 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1rkx n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rkx s THR 186 N -2.47 4.34 -0.36 2.61 2.01 -1.25 -4.31 115.64 116.21 1rkx s THR 186 Ca 0.00 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 1rkx s THR 186 Cb 0.00 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1rkx s THR 186 CO 0.00 0.38 0.19 0.00 -0.69 0.00 0.00 174.62 174.50 1rkx s ALA 187 N 1.22 3.27 -0.16 7.40 0.00 -0.31 -4.88 121.76 128.30 1rkx s ALA 187 Ca 0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.33 1rkx s ALA 187 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1rkx s ALA 187 CO 0.03 -1.25 -0.02 0.08 0.00 0.00 0.00 175.76 174.60 1rkx s VAL 188 N 1.56 4.05 0.12 0.00 1.01 -1.26 -1.29 120.40 124.59 1rkx s VAL 188 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1rkx s VAL 188 Cb -0.19 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1rkx s VAL 188 CO 0.06 0.49 -0.00 0.00 0.00 0.00 0.00 175.10 175.65 1rkx s ALA 189 N 0.33 0.95 0.14 5.51 0.00 -0.11 -3.60 121.76 124.98 1rkx s ALA 189 Ca -0.03 -1.43 0.11 0.00 0.00 0.00 0.00 51.96 50.61 1rkx s ALA 189 Cb -0.14 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1rkx s ALA 189 CO 0.02 -0.36 -0.26 0.95 0.00 0.00 0.00 175.76 176.11 1rkx s THR 190 N -3.83 2.24 -0.05 0.00 -4.23 -0.74 -0.91 115.64 108.13 1rkx s THR 190 Ca 0.18 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 1rkx s THR 190 Cb 0.07 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1rkx s THR 190 CO -0.01 0.06 -0.14 0.68 -0.54 0.00 0.00 174.62 174.66 1rkx s VAL 191 N -1.14 1.23 -0.18 2.29 -7.23 -0.45 -1.10 120.40 113.82 1rkx s VAL 191 Ca 0.14 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1rkx s VAL 191 Cb -0.10 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1rkx s VAL 191 CO 0.06 0.37 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.90 1rkx s ARG 192 N 0.22 3.03 0.09 4.82 0.52 0.10 -1.90 118.95 125.84 1rkx s ARG 192 Ca -0.06 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 1rkx s ARG 192 Cb -0.12 -2.60 0.05 0.00 0.52 0.00 0.00 34.95 32.80 1rkx s ARG 192 CO 0.02 -0.19 0.53 0.00 0.02 0.00 0.00 175.30 175.68 1rkx s ALA 193 N 1.27 -1.35 0.24 2.13 0.00 -1.26 -0.88 121.76 121.91 1rkx s ALA 193 Ca 0.04 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1rkx s ALA 193 Cb -0.13 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1rkx s ALA 193 CO -0.11 -0.61 0.39 0.41 0.00 0.00 0.00 175.76 175.84 1rkx n GLY 194 N 0.06 2.07 3.84 0.00 0.00 -1.26 -2.48 105.19 107.42 1rkx n GLY 194 Ca -0.17 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 1rkx n GLY 194 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkx n ASN 195 N -1.64 -1.88 -4.72 1.61 3.02 -1.26 -4.68 115.26 105.71 1rkx n ASN 195 Ca -0.02 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1rkx n ASN 195 Cb 0.39 -3.69 -0.05 0.00 -0.61 0.00 0.00 39.78 35.83 1rkx n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rkx s VAL 196 N -3.64 5.02 0.12 2.41 1.01 -1.26 -1.99 120.40 122.07 1rkx s VAL 196 Ca 0.19 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.70 1rkx s VAL 196 Cb -0.10 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1rkx s VAL 196 CO 0.84 0.26 -0.11 0.27 0.00 0.00 0.00 175.10 176.36 1rkx s ILE 197 N 0.74 1.10 0.00 2.22 -4.36 -0.38 -4.89 121.20 115.63 1rkx s ILE 197 Ca 0.38 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1rkx s ILE 197 Cb -0.18 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 41.98 1rkx s ILE 197 CO 0.19 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.40 1rkx n GLY 198 N 0.32 0.52 3.77 6.27 0.00 -1.26 -0.18 105.19 114.62 1rkx n GLY 198 Ca -0.14 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1rkx n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rkx s GLY 199 N 0.00 2.80 0.00 -0.02 0.00 -1.26 -3.68 107.32 105.16 1rkx s GLY 199 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1rkx s GLY 199 CO 0.00 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.16 1rkx n GLY 200 N 0.50 0.77 3.48 0.20 0.00 -1.26 -5.05 105.19 103.83 1rkx n GLY 200 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1rkx n GLY 200 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rkx s ASP 201 N -2.37 5.79 -0.13 1.61 2.15 -1.24 -3.62 116.67 118.85 1rkx s ASP 201 Ca 0.00 -0.51 0.15 0.00 0.43 0.00 0.00 52.55 52.62 1rkx s ASP 201 Cb 0.00 -2.06 0.48 0.00 -0.30 0.00 0.00 42.92 41.04 1rkx s ASP 201 CO 0.00 -0.22 1.39 0.79 -0.17 0.00 0.00 175.17 176.95 1rkx n TRP 202 N 5.04 0.85 -2.27 -5.34 8.01 -1.26 -4.48 117.44 117.99 1rkx n TRP 202 Ca -0.13 -0.78 -0.34 0.00 -1.31 0.00 0.00 57.50 54.95 1rkx n TRP 202 Cb 0.49 -0.24 -0.04 0.00 -2.01 0.00 0.00 31.31 29.51 1rkx n TRP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1rkx s ALA 203 N -2.35 2.33 -0.33 6.99 0.00 -1.26 -4.89 121.76 122.25 1rkx s ALA 203 Ca 0.38 -2.31 -0.29 0.00 0.00 0.00 0.00 51.96 49.74 1rkx s ALA 203 Cb 0.29 -4.64 -0.01 0.00 0.00 0.00 0.00 23.12 18.76 1rkx s ALA 203 CO 0.11 -4.43 1.57 -0.51 0.00 0.00 0.00 175.76 172.50 1rkx s LEU 204 N 8.22 3.66 0.00 0.00 1.02 -1.26 -2.00 118.68 128.32 1rkx s LEU 204 Ca 0.62 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.97 1rkx s LEU 204 Cb -0.00 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.68 1rkx s LEU 204 CO 0.07 -1.45 0.00 -0.67 0.02 0.00 0.00 176.35 174.33 1rkx n ASP 205 N 9.08 0.00 -4.81 2.29 -0.08 -1.26 -5.03 116.55 116.73 1rkx n ASP 205 Ca 0.19 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.09 1rkx n ASP 205 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 1rkx n ASP 205 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1rkx s ARG 206 N 0.00 4.21 0.10 -0.67 0.52 -0.84 -5.02 118.95 117.25 1rkx s ARG 206 Ca 0.00 0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 55.70 1rkx s ARG 206 Cb 0.00 -3.13 -0.12 0.00 0.52 0.00 0.00 34.95 32.22 1rkx s ARG 206 CO 0.00 0.57 1.67 0.97 0.02 0.00 0.00 175.30 178.53 1rkx h ILE 207 N 3.26 0.59 -0.05 1.52 6.09 -1.99 -2.41 117.51 124.53 1rkx h ILE 207 Ca -0.49 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.01 1rkx h ILE 207 Cb 1.21 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1rkx h ILE 207 CO 0.64 0.00 0.01 0.58 -3.07 0.00 0.00 178.15 176.31 1rkx h VAL 208 N -0.40 0.98 -0.99 2.19 2.07 -1.96 0.13 116.25 118.27 1rkx h VAL 208 Ca 0.00 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1rkx h VAL 208 Cb 0.38 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1rkx h VAL 208 CO -0.05 0.01 0.63 -0.65 0.02 0.00 0.00 177.57 177.53 1rkx h PRO 209 N 0.03 1.03 -0.60 1.57 0.11 -1.78 -0.25 132.00 132.12 1rkx h PRO 209 Ca 0.02 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1rkx h PRO 209 Cb 0.01 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 1rkx h PRO 209 CO -0.03 0.68 0.08 0.22 -0.21 0.00 0.00 178.00 178.75 1rkx h ASP 210 N 1.06 0.94 0.25 -2.05 -0.00 -0.87 -1.67 116.42 114.08 1rkx h ASP 210 Ca 0.46 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.03 57.26 1rkx h ASP 210 Cb 0.33 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1rkx h ASP 210 CO -0.22 0.95 -0.12 0.40 -0.00 0.00 0.00 179.24 180.25 1rkx h ILE 211 N 0.92 0.80 -0.74 2.25 2.04 0.66 -2.12 117.51 121.32 1rkx h ILE 211 Ca 0.18 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1rkx h ILE 211 Cb 0.42 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1rkx h ILE 211 CO 0.01 0.07 0.49 -0.07 0.00 0.00 0.00 178.15 178.65 1rkx h LEU 212 N -0.50 0.65 -0.76 1.44 3.38 -0.97 -0.18 115.31 118.37 1rkx h LEU 212 Ca -0.03 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1rkx h LEU 212 Cb 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rkx h LEU 212 CO 0.06 0.41 -0.47 -0.09 0.09 0.00 0.00 178.44 178.44 1rkx h ARG 213 N 0.73 0.36 -0.17 1.13 2.43 -1.16 -1.76 114.38 115.94 1rkx h ARG 213 Ca 0.33 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1rkx h ARG 213 Cb 0.34 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1rkx h ARG 213 CO -0.11 0.75 -0.08 0.00 -1.51 0.00 0.00 179.97 179.01 1rkx h ALA 214 N 1.22 0.24 -0.28 2.80 0.00 -0.47 -3.08 119.26 119.67 1rkx h ALA 214 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rkx h ALA 214 Cb 0.93 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1rkx h ALA 214 CO 0.08 0.05 0.11 0.74 0.00 0.00 0.00 179.25 180.23 1rkx h PHE 215 N 0.03 0.20 -0.12 0.00 0.05 -0.98 -0.39 116.94 115.73 1rkx h PHE 215 Ca 0.04 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.88 1rkx h PHE 215 Cb 0.56 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.46 1rkx h PHE 215 CO 0.07 0.10 0.09 1.05 -0.18 0.00 0.00 178.31 179.43 1rkx h GLU 216 N 0.24 0.00 -0.17 1.51 4.11 -1.34 0.14 114.58 119.07 1rkx h GLU 216 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1rkx h GLU 216 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rkx h GLU 216 CO -0.12 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.00 1rkx n GLN 217 N -4.47 1.97 -3.79 1.06 6.02 -0.93 -4.93 117.38 112.32 1rkx n GLN 217 Ca -0.00 -1.45 -0.28 0.00 -0.01 0.00 0.00 57.00 55.27 1rkx n GLN 217 Cb 0.21 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 30.07 1rkx n GLN 217 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rkx n SER 218 N 0.69 -5.49 -4.30 1.08 7.64 0.47 -4.98 113.62 108.73 1rkx n SER 218 Ca 0.17 -0.68 -0.29 0.00 1.01 0.00 0.00 58.87 59.09 1rkx n SER 218 Cb 0.43 -4.36 -0.15 0.00 -1.01 0.00 0.00 64.21 59.12 1rkx n SER 218 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1rkx s GLN 219 N -6.50 1.69 0.31 1.43 -0.21 -0.22 -4.94 119.66 111.23 1rkx s GLN 219 Ca 0.64 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.72 1rkx s GLN 219 Cb -0.30 -1.80 -0.11 0.00 1.00 0.00 0.00 33.01 31.79 1rkx s GLN 219 CO 0.79 0.47 1.55 -2.14 -2.12 0.00 0.00 175.29 173.84 1rkx s PRO 220 N -1.08 4.14 0.16 2.91 0.02 -1.26 -4.03 135.00 135.85 1rkx s PRO 220 Ca 0.10 2.54 -0.25 0.00 0.02 0.00 0.00 61.00 63.41 1rkx s PRO 220 Cb -0.09 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.33 1rkx s PRO 220 CO 0.01 -0.58 0.78 0.54 -0.33 0.00 0.00 177.00 177.43 1rkx s VAL 221 N -0.32 4.38 -0.53 3.83 0.11 -1.01 -4.84 120.40 122.03 1rkx s VAL 221 Ca 0.60 1.71 -0.18 0.00 -2.93 0.00 0.00 61.98 61.18 1rkx s VAL 221 Cb -0.47 -4.14 0.08 0.00 -1.53 0.00 0.00 36.38 30.32 1rkx s VAL 221 CO 0.51 0.52 0.59 -0.63 -3.33 0.00 0.00 175.10 172.76 1rkx s ILE 222 N -1.11 4.96 -0.12 7.04 -1.09 -1.26 -0.80 121.20 128.82 1rkx s ILE 222 Ca 0.36 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 1rkx s ILE 222 Cb -0.23 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 1rkx s ILE 222 CO 0.26 -0.86 1.10 -0.63 -1.23 0.00 0.00 174.94 173.59 1rkx s ILE 223 N 2.34 4.54 0.00 2.92 -1.09 0.88 -4.98 121.20 125.82 1rkx s ILE 223 Ca 0.11 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1rkx s ILE 223 Cb -0.23 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1rkx s ILE 223 CO 0.08 -0.05 0.33 0.54 -1.23 0.00 0.00 174.94 174.61 1rkx n ARG 224 N 5.54 0.00 -3.73 2.79 5.12 -1.26 -4.46 116.66 120.66 1rkx n ARG 224 Ca 0.11 0.26 -0.36 0.00 -1.93 0.00 0.00 57.85 55.93 1rkx n ARG 224 Cb 0.47 -0.98 -0.10 0.00 -1.16 0.00 0.00 32.46 30.70 1rkx n ARG 224 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1rkx s ASN 225 N -2.03 5.24 0.37 0.55 3.84 -1.26 -4.95 114.94 116.71 1rkx s ASN 225 Ca 0.00 -3.04 0.10 0.00 0.21 0.00 0.00 52.86 50.12 1rkx s ASN 225 Cb 0.00 -1.84 0.86 0.00 -0.55 0.00 0.00 41.25 39.72 1rkx s ASN 225 CO 0.00 -0.32 1.90 -0.65 -2.79 0.00 0.00 177.10 175.24 1rkx h PRO 226 N 6.76 0.62 -0.00 0.43 0.11 -1.97 -1.77 132.00 136.19 1rkx h PRO 226 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1rkx h PRO 226 Cb 0.92 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1rkx h PRO 226 CO 0.73 0.41 -0.09 0.72 -0.21 0.00 0.00 178.00 179.56 1rkx n HIS 227 N -4.53 0.00 -1.86 0.65 8.25 -1.26 -1.26 115.22 115.21 1rkx n HIS 227 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 1rkx n HIS 227 Cb 0.44 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1rkx n HIS 227 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rkx s ALA 228 N -2.41 3.64 -0.15 -1.41 0.00 -0.67 -4.77 121.76 116.00 1rkx s ALA 228 Ca 0.31 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.35 1rkx s ALA 228 Cb 0.20 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1rkx s ALA 228 CO 0.46 -1.33 0.17 0.42 0.00 0.00 0.00 175.76 175.48 1rkx s ILE 229 N 3.57 5.42 0.03 0.00 1.01 -1.26 -1.12 121.20 128.85 1rkx s ILE 229 Ca 0.78 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 61.64 1rkx s ILE 229 Cb -0.39 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1rkx s ILE 229 CO 0.34 0.52 0.14 -0.13 0.00 0.00 0.00 174.94 175.82 1rkx s ARG 230 N -0.34 0.59 -1.27 2.79 0.52 -1.16 -4.74 118.95 115.35 1rkx s ARG 230 Ca 0.13 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 1rkx s ARG 230 Cb -0.12 0.24 0.16 0.00 0.52 0.00 0.00 34.95 35.75 1rkx s ARG 230 CO 0.02 -0.15 1.74 -0.35 0.02 0.00 0.00 175.30 176.58 1rkx n PRO 231 N 0.97 3.47 -1.98 3.54 -0.04 -1.26 -3.50 135.00 136.19 1rkx n PRO 231 Ca -0.20 -3.57 -0.39 0.00 -0.04 0.00 0.00 63.50 59.30 1rkx n PRO 231 Cb 0.58 -3.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.03 1rkx n PRO 231 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1rkx s TRP 232 N 1.12 2.64 -0.13 0.54 0.52 -1.26 -4.63 118.94 117.75 1rkx s TRP 232 Ca 0.42 1.40 -0.15 0.00 0.02 0.00 0.00 56.10 57.78 1rkx s TRP 232 Cb 0.05 -3.70 0.04 0.00 -1.15 0.00 0.00 33.47 28.72 1rkx s TRP 232 CO 0.00 -2.33 0.41 1.14 0.02 0.00 0.00 176.95 176.20 1rkx s GLN 233 N -2.50 0.55 0.42 4.98 -2.07 -0.84 -4.73 119.66 115.46 1rkx s GLN 233 Ca 0.62 0.43 -0.26 0.00 -1.82 0.00 0.00 55.36 54.33 1rkx s GLN 233 Cb -0.38 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 31.72 1rkx s GLN 233 CO 0.48 -0.09 1.35 -1.58 -1.32 0.00 0.00 175.29 174.13 1rkx s HIS 234 N -0.13 2.70 0.47 9.60 5.65 -1.26 -1.25 115.29 131.08 1rkx s HIS 234 Ca -0.03 1.35 0.25 0.00 0.25 0.00 0.00 55.06 56.88 1rkx s HIS 234 Cb -0.03 -3.77 1.28 0.00 -1.18 0.00 0.00 32.58 28.88 1rkx s HIS 234 CO 0.02 -2.41 1.85 -0.24 -0.65 0.00 0.00 174.74 173.32 1rkx h VAL 235 N 2.46 0.59 0.00 0.89 3.04 -0.91 0.04 116.25 122.36 1rkx h VAL 235 Ca -0.50 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 1rkx h VAL 235 Cb 1.25 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1rkx h VAL 235 CO 0.62 0.04 -0.03 -0.07 -1.01 0.00 0.00 177.57 177.12 1rkx h LEU 236 N 0.21 0.00 0.80 3.16 3.38 -1.89 -3.07 115.31 117.90 1rkx h LEU 236 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 1rkx h LEU 236 Cb 1.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.26 1rkx h LEU 236 CO -0.11 0.03 -0.39 -0.33 0.09 0.00 0.00 178.44 177.73 1rkx h GLU 237 N 0.00 -1.04 -0.32 1.13 4.39 -1.33 -0.25 114.58 117.16 1rkx h GLU 237 Ca -0.00 0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1rkx h GLU 237 Cb 0.52 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1rkx h GLU 237 CO 0.00 -0.69 -0.10 -1.00 -1.16 0.00 0.00 179.01 176.06 1rkx h PRO 238 N -1.24 0.54 -0.81 2.33 0.13 -1.71 -2.56 132.00 128.68 1rkx h PRO 238 Ca -0.11 -0.15 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1rkx h PRO 238 Cb 0.83 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.85 1rkx h PRO 238 CO 0.18 0.64 0.53 -0.07 -0.23 0.00 0.00 178.00 179.05 1rkx h LEU 239 N 0.50 0.89 -1.15 1.56 4.07 -1.50 0.47 115.31 120.15 1rkx h LEU 239 Ca 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1rkx h LEU 239 Cb 0.47 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1rkx h LEU 239 CO 0.03 0.63 0.23 0.77 -1.08 0.00 0.00 178.44 179.01 1rkx h SER 240 N 1.04 0.75 -0.55 -0.43 4.64 -0.62 -0.84 113.55 117.54 1rkx h SER 240 Ca 0.31 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1rkx h SER 240 Cb -0.04 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1rkx h SER 240 CO -0.08 0.67 -0.07 1.23 -0.87 0.00 0.00 176.83 177.71 1rkx h GLY 241 N 0.94 1.10 1.00 -0.77 0.00 -0.81 -1.05 103.07 103.48 1rkx h GLY 241 Ca 0.19 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1rkx h GLY 241 CO -0.02 0.80 0.36 -0.97 0.00 0.00 0.00 176.54 176.71 1rkx h TYR 242 N 0.90 0.89 -0.26 5.60 0.99 -0.23 -0.37 116.97 124.50 1rkx h TYR 242 Ca 0.15 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 1rkx h TYR 242 Cb 0.64 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 1rkx h TYR 242 CO 0.04 0.64 0.01 -0.07 -0.00 0.00 0.00 178.16 178.78 1rkx h LEU 243 N 0.89 0.44 -0.58 3.88 3.38 -1.03 -0.44 115.31 121.86 1rkx h LEU 243 Ca 0.23 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1rkx h LEU 243 Cb 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1rkx h LEU 243 CO -0.04 0.63 0.36 0.25 0.09 0.00 0.00 178.44 179.73 1rkx h LEU 244 N 0.23 0.59 -0.48 1.67 5.85 -1.00 -1.59 115.31 120.58 1rkx h LEU 244 Ca 0.07 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1rkx h LEU 244 Cb 0.41 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1rkx h LEU 244 CO 0.01 0.41 0.19 0.25 -0.34 0.00 0.00 178.44 178.97 1rkx h LEU 245 N 0.71 0.66 -0.90 2.25 5.85 -0.93 -2.29 115.31 120.66 1rkx h LEU 245 Ca 0.23 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1rkx h LEU 245 Cb 0.00 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1rkx h LEU 245 CO -0.09 0.65 0.56 0.00 -0.34 0.00 0.00 178.44 179.22 1rkx h ALA 246 N 1.04 1.25 -0.11 1.25 0.00 -0.60 0.61 119.26 122.69 1rkx h ALA 246 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rkx h ALA 246 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rkx h ALA 246 CO -0.01 0.29 0.07 1.96 0.00 0.00 0.00 179.25 181.56 1rkx h GLN 247 N 1.00 0.15 -0.70 0.00 4.20 -1.00 -0.79 115.11 117.97 1rkx h GLN 247 Ca 0.40 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 1rkx h GLN 247 Cb 0.21 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1rkx h GLN 247 CO -0.19 0.13 0.29 0.87 -0.67 0.00 0.00 178.83 179.26 1rkx h LYS 248 N 0.12 1.04 -0.78 1.46 1.79 -0.83 -0.30 116.57 119.07 1rkx h LYS 248 Ca 0.04 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1rkx h LYS 248 Cb 0.02 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 1rkx h LYS 248 CO -0.01 0.86 0.29 -0.07 -1.08 0.00 0.00 179.45 179.44 1rkx h LEU 249 N 0.99 1.09 0.27 2.94 3.38 -0.68 0.35 115.31 123.66 1rkx h LEU 249 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rkx h LEU 249 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1rkx h LEU 249 CO -0.02 0.98 -0.13 0.22 0.09 0.00 0.00 178.44 179.58 1rkx h TYR 250 N 1.14 -0.34 0.09 1.13 3.20 -0.80 -2.42 116.97 118.98 1rkx h TYR 250 Ca 0.26 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.95 1rkx h TYR 250 Cb 0.24 0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.64 1rkx h TYR 250 CO 0.02 0.01 -0.74 1.79 -1.64 0.00 0.00 178.16 177.60 1rkx h THR 251 N -0.76 1.49 0.08 1.81 1.35 -1.04 -3.39 112.91 112.45 1rkx h THR 251 Ca -0.04 -2.38 -0.34 0.00 -0.55 0.00 0.00 66.41 63.10 1rkx h THR 251 Cb 0.50 3.01 -0.03 0.00 -1.73 0.00 0.00 68.15 69.90 1rkx h THR 251 CO 0.06 0.68 -1.91 0.47 -0.25 0.00 0.00 175.52 174.57 1rkx n ASP 252 N -4.16 1.69 0.00 5.36 8.00 0.12 -5.08 116.55 122.48 1rkx n ASP 252 Ca -0.13 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1rkx n ASP 252 Cb 0.77 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1rkx n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rkx n GLY 253 N 1.85 0.13 0.35 0.44 0.00 -0.90 -4.61 105.19 102.45 1rkx n GLY 253 Ca -0.27 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.06 1rkx n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx h ALA 254 N 0.00 1.52 -0.47 4.61 0.00 -1.90 -2.23 119.26 120.78 1rkx h ALA 254 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1rkx h ALA 254 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rkx h ALA 254 CO 0.00 -0.36 0.40 1.49 0.00 0.00 0.00 179.25 180.78 1rkx h GLU 255 N 0.00 0.00 -0.34 0.00 4.81 -1.95 -0.34 114.58 116.76 1rkx h GLU 255 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1rkx h GLU 255 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1rkx h GLU 255 CO -0.00 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 1rkx n TYR 256 N -4.05 0.44 -1.93 0.92 4.02 -0.84 -4.83 117.16 110.90 1rkx n TYR 256 Ca 0.09 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.90 57.22 1rkx n TYR 256 Cb 0.60 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.91 1rkx n TYR 256 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rkx n ALA 257 N 0.92 4.74 -3.00 -0.72 0.00 -0.14 -4.74 120.51 117.57 1rkx n ALA 257 Ca 0.14 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1rkx n ALA 257 Cb 0.46 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1rkx n ALA 257 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rkx n GLU 258 N 6.86 0.00 -3.68 0.00 1.02 -1.24 -4.81 120.64 118.79 1rkx n GLU 258 Ca 0.51 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.30 1rkx n GLU 258 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.78 1rkx n GLU 258 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rkx s GLY 259 N -0.48 2.29 -0.03 0.62 0.00 -1.26 -1.80 107.32 106.66 1rkx s GLY 259 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1rkx s GLY 259 CO 0.00 -0.30 -0.01 -0.98 0.00 0.00 0.00 173.10 171.81 1rkx s TRP 260 N -1.35 0.35 0.01 1.90 0.52 -0.26 -4.94 118.94 115.17 1rkx s TRP 260 Ca 0.30 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.22 1rkx s TRP 260 Cb -0.13 -0.39 -0.06 0.00 -1.15 0.00 0.00 33.47 31.74 1rkx s TRP 260 CO 0.17 -0.11 0.47 -0.80 0.02 0.00 0.00 176.95 176.70 1rkx s ASN 261 N 0.77 6.88 -0.05 2.95 0.02 -1.26 0.03 114.94 124.28 1rkx s ASN 261 Ca -0.08 1.04 0.00 0.00 -1.02 0.00 0.00 52.86 52.81 1rkx s ASN 261 Cb -0.11 -2.29 0.02 0.00 0.02 0.00 0.00 41.25 38.89 1rkx s ASN 261 CO -0.01 0.27 -0.03 -0.36 0.02 0.00 0.00 177.10 176.99 1rkx s PHE 262 N -0.86 0.67 0.19 2.20 0.40 -0.06 -4.54 117.98 115.99 1rkx s PHE 262 Ca 0.26 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.18 1rkx s PHE 262 Cb -0.17 -0.67 0.07 0.00 0.51 0.00 0.00 43.02 42.75 1rkx s PHE 262 CO 0.15 -0.22 0.96 0.20 0.70 0.00 0.00 175.22 177.01 1rkx s GLY 263 N 1.21 -0.04 0.72 4.36 0.00 -1.26 -4.33 107.32 107.97 1rkx s GLY 263 Ca -0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1rkx s GLY 263 CO -0.02 0.80 1.09 2.56 0.00 0.00 0.00 173.10 177.54 1rkx s PRO 264 N -2.81 2.59 0.25 2.90 0.04 -1.26 -4.82 135.00 131.88 1rkx s PRO 264 Ca 0.16 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1rkx s PRO 264 Cb -0.02 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1rkx s PRO 264 CO 0.05 -1.16 1.25 -0.80 0.04 0.00 0.00 177.00 176.38 1rkx s ASN 265 N -4.42 6.97 0.25 6.66 0.01 -1.26 -4.91 114.94 118.23 1rkx s ASN 265 Ca 0.59 2.43 -0.03 0.00 -0.71 0.00 0.00 52.86 55.14 1rkx s ASN 265 Cb -0.11 -2.62 0.44 0.00 0.41 0.00 0.00 41.25 39.36 1rkx s ASN 265 CO 0.50 -0.43 1.80 -0.78 -1.51 0.00 0.00 177.10 176.68 1rkx h ASP 266 N 4.47 0.65 0.00 -1.22 -0.00 -1.95 -0.04 116.42 118.33 1rkx h ASP 266 Ca -0.46 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 1rkx h ASP 266 Cb 1.22 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1rkx h ASP 266 CO 0.71 0.35 0.14 0.00 -0.00 0.00 0.00 179.24 180.44 1rkx n ALA 267 N -2.39 0.77 -0.02 -0.78 0.00 -1.26 -0.52 120.51 116.31 1rkx n ALA 267 Ca 0.15 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 1rkx n ALA 267 Cb 0.32 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 1rkx n ALA 267 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rkx n ASP 268 N -1.57 1.39 -4.60 0.00 2.03 -0.03 -4.95 116.55 108.82 1rkx n ASP 268 Ca -0.00 0.27 -0.44 0.00 0.52 0.00 0.00 54.79 55.14 1rkx n ASP 268 Cb 0.14 -0.34 -0.01 0.00 -0.72 0.00 0.00 41.12 40.18 1rkx n ASP 268 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rkx n ALA 269 N -2.79 -0.05 -2.80 -1.67 0.00 0.33 -4.85 120.51 108.68 1rkx n ALA 269 Ca -0.26 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1rkx n ALA 269 Cb 1.05 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 1rkx n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rkx s THR 270 N -1.02 0.05 0.55 0.00 -4.23 -1.23 -4.99 115.64 104.76 1rkx s THR 270 Ca 0.59 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 1rkx s THR 270 Cb -0.69 -1.93 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 1rkx s THR 270 CO 0.60 -0.21 1.02 -2.16 -0.54 0.00 0.00 174.62 173.33 1rkx s PRO 271 N -3.98 3.64 0.41 3.99 0.04 -1.26 -2.96 135.00 134.87 1rkx s PRO 271 Ca 0.19 1.12 0.15 0.00 0.04 0.00 0.00 61.00 62.50 1rkx s PRO 271 Cb 0.03 -2.08 1.01 0.00 0.04 0.00 0.00 34.50 33.49 1rkx s PRO 271 CO 0.02 -0.54 1.88 -0.39 0.04 0.00 0.00 177.00 178.02 1rkx h VAL 272 N 0.79 0.76 -0.55 -0.36 -1.51 -1.05 0.75 116.25 115.08 1rkx h VAL 272 Ca -0.47 -0.16 0.11 0.00 -1.23 0.00 0.00 66.70 64.94 1rkx h VAL 272 Cb 1.21 0.24 -0.09 0.00 -2.13 0.00 0.00 31.29 30.52 1rkx h VAL 272 CO 0.59 0.09 0.02 0.50 -1.23 0.00 0.00 177.57 177.54 1rkx h LYS 273 N 0.48 0.13 0.30 5.19 3.64 -1.46 -0.99 116.57 123.86 1rkx h LYS 273 Ca 0.42 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1rkx h LYS 273 Cb 0.93 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1rkx h LYS 273 CO -0.16 0.09 -0.15 -0.97 -2.27 0.00 0.00 179.45 175.99 1rkx h ASN 274 N 0.13 -0.35 -0.29 4.20 -0.00 -1.13 -1.94 115.58 116.21 1rkx h ASN 274 Ca 0.28 -0.01 0.07 0.00 -0.00 0.00 0.00 56.30 56.64 1rkx h ASN 274 Cb 0.43 0.09 -0.08 0.00 -0.00 0.00 0.00 38.32 38.76 1rkx h ASN 274 CO -0.45 -0.22 -0.32 0.40 -0.00 0.00 0.00 177.43 176.84 1rkx h ILE 275 N -0.44 0.25 -0.20 2.57 5.03 -1.03 0.19 117.51 123.88 1rkx h ILE 275 Ca -0.04 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 1rkx h ILE 275 Cb 0.34 0.25 -0.03 0.00 -3.03 0.00 0.00 36.82 34.35 1rkx h ILE 275 CO 0.07 0.00 -0.01 0.58 -0.68 0.00 0.00 178.15 178.11 1rkx h VAL 276 N -0.31 0.85 -0.81 1.67 2.07 -1.17 0.02 116.25 118.57 1rkx h VAL 276 Ca 0.14 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1rkx h VAL 276 Cb 0.54 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1rkx h VAL 276 CO -0.46 0.01 0.49 -0.33 0.02 0.00 0.00 177.57 177.31 1rkx h GLU 277 N 0.06 0.88 -0.46 1.57 5.08 -0.75 0.21 114.58 121.16 1rkx h GLU 277 Ca 0.09 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1rkx h GLU 277 Cb 0.12 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1rkx h GLU 277 CO -0.16 0.58 0.02 1.96 -1.00 0.00 0.00 179.01 180.41 1rkx h GLN 278 N 0.90 0.79 -0.59 2.33 4.20 -0.51 -2.87 115.11 119.37 1rkx h GLN 278 Ca 0.36 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1rkx h GLN 278 Cb 0.18 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1rkx h GLN 278 CO -0.18 0.84 0.27 0.52 -0.67 0.00 0.00 178.83 179.62 1rkx h MET 279 N 0.64 0.86 -0.82 1.46 2.86 -0.15 -2.35 114.93 117.44 1rkx h MET 279 Ca 0.13 -0.13 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1rkx h MET 279 Cb 0.47 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.89 1rkx h MET 279 CO 0.02 0.71 0.44 0.28 1.06 0.00 0.00 176.91 179.41 1rkx h VAL 280 N 0.81 0.82 0.17 -2.22 2.07 -0.51 0.83 116.25 118.22 1rkx h VAL 280 Ca 0.20 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1rkx h VAL 280 Cb 0.14 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1rkx h VAL 280 CO -0.02 0.13 -0.08 0.11 0.02 0.00 0.00 177.57 177.72 1rkx h LYS 281 N 0.69 -0.22 -0.43 1.57 1.57 -1.23 0.14 116.57 118.66 1rkx h LYS 281 Ca 0.42 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1rkx h LYS 281 Cb 0.49 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1rkx h LYS 281 CO -0.30 -0.04 0.25 1.88 -0.57 0.00 0.00 179.45 180.66 1rkx h TYR 282 N -0.35 0.56 0.00 -1.35 0.99 -0.90 -3.03 116.97 112.89 1rkx h TYR 282 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1rkx h TYR 282 Cb 0.27 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 37.82 1rkx h TYR 282 CO -0.03 0.38 -0.04 2.35 -0.00 0.00 0.00 178.16 180.82 1rkx h TRP 283 N 0.59 0.04 0.00 4.88 2.91 -0.69 -3.50 115.95 120.18 1rkx h TRP 283 Ca 0.15 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1rkx h TRP 283 Cb -0.00 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 1rkx h TRP 283 CO 0.00 0.86 0.00 0.41 -1.03 0.00 0.00 178.44 178.68 1rkx n GLY 284 N 1.18 0.81 3.46 2.65 0.00 0.47 -4.99 105.19 108.78 1rkx n GLY 284 Ca -0.10 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1rkx n GLY 284 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rkx n GLU 285 N 3.27 0.37 -1.38 1.61 0.00 -1.26 -2.78 120.64 120.47 1rkx n GLU 285 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 57.16 57.19 1rkx n GLU 285 Cb 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 31.44 29.59 1rkx n GLU 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rkx n GLY 286 N 1.70 1.25 3.25 -1.84 0.00 -1.26 -4.96 105.19 103.33 1rkx n GLY 286 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1rkx n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkx s ALA 287 N -2.11 2.78 0.26 4.61 0.00 -1.12 -4.15 121.76 122.02 1rkx s ALA 287 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1rkx s ALA 287 Cb 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1rkx s ALA 287 CO 0.00 -0.68 0.41 -1.13 0.00 0.00 0.00 175.76 174.36 1rkx n SER 288 N 4.74 -1.15 -3.46 0.00 3.41 -1.26 -4.94 113.62 110.96 1rkx n SER 288 Ca -0.17 -2.31 -0.08 0.00 -0.26 0.00 0.00 58.87 56.05 1rkx n SER 288 Cb 0.49 2.06 -0.00 0.00 -0.26 0.00 0.00 64.21 66.50 1rkx n SER 288 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1rkx s TRP 289 N -3.67 -0.05 0.11 7.33 1.48 -1.26 -2.40 118.94 120.48 1rkx s TRP 289 Ca 0.19 -0.50 -0.15 0.00 -1.06 0.00 0.00 56.10 54.57 1rkx s TRP 289 Cb -0.01 0.76 0.03 0.00 -1.16 0.00 0.00 33.47 33.09 1rkx s TRP 289 CO 0.13 -1.38 0.37 -0.65 -4.06 0.00 0.00 176.95 171.36 1rkx s GLN 290 N -3.23 1.01 0.52 3.25 -0.21 0.02 -4.80 119.66 116.21 1rkx s GLN 290 Ca 0.13 -0.69 0.08 0.00 0.02 0.00 0.00 55.36 54.89 1rkx s GLN 290 Cb -0.06 0.44 0.05 0.00 1.00 0.00 0.00 33.01 34.44 1rkx s GLN 290 CO 0.09 -0.38 0.58 -1.17 -2.12 0.00 0.00 175.29 172.29 1rkx s LEU 291 N -2.69 3.11 0.00 2.90 0.20 -1.26 -0.08 118.68 120.85 1rkx s LEU 291 Ca 0.02 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 53.95 1rkx s LEU 291 Cb 0.02 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 1rkx s LEU 291 CO -0.10 -1.08 0.00 0.00 -0.29 0.00 0.00 176.35 174.87 1rkx n HIS 301 N -1.94 0.00 -3.58 5.38 1.44 -1.26 -4.82 115.22 110.44 1rkx n HIS 301 Ca 0.08 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.62 1rkx n HIS 301 Cb 0.62 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.66 1rkx n HIS 301 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1rkx s TYR 302 N 0.00 -0.63 0.01 -1.40 -0.85 -1.26 -4.89 117.35 108.33 1rkx s TYR 302 Ca 0.00 1.23 -0.30 0.00 -0.52 0.00 0.00 57.07 57.47 1rkx s TYR 302 Cb 0.00 0.33 -0.07 0.00 0.38 0.00 0.00 41.96 42.61 1rkx s TYR 302 CO 0.00 -0.52 1.56 -1.17 -1.52 0.00 0.00 175.55 173.90 1rkx s LEU 303 N -0.77 4.33 0.15 -3.49 1.98 -1.26 -4.87 118.68 114.75 1rkx s LEU 303 Ca -0.08 2.28 -0.07 0.00 -2.89 0.00 0.00 54.13 53.37 1rkx s LEU 303 Cb -0.02 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.26 1rkx s LEU 303 CO 0.07 -0.83 0.22 -1.59 -1.89 0.00 0.00 176.35 172.33 1rkx s LYS 304 N 2.90 1.09 0.11 1.98 -2.85 -1.26 -4.64 119.74 117.07 1rkx s LYS 304 Ca 0.70 -1.23 0.11 0.00 -1.00 0.00 0.00 55.97 54.54 1rkx s LYS 304 Cb -0.35 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 1rkx s LYS 304 CO 0.29 -0.38 -0.27 -0.51 0.10 0.00 0.00 175.35 174.59 1rkx s LEU 305 N -2.98 2.30 -0.29 2.77 1.43 -1.26 -1.43 118.68 119.22 1rkx s LEU 305 Ca 0.18 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 1rkx s LEU 305 Cb 0.04 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1rkx s LEU 305 CO 0.00 0.20 0.41 -0.62 0.23 0.00 0.00 176.35 176.57 1rkx s ASP 306 N -1.90 6.27 -0.43 2.29 -1.08 -0.21 -4.69 116.67 116.92 1rkx s ASP 306 Ca 0.14 0.19 0.04 0.00 -0.52 0.00 0.00 52.55 52.40 1rkx s ASP 306 Cb -0.10 -2.23 0.53 0.00 -1.46 0.00 0.00 42.92 39.66 1rkx s ASP 306 CO 0.05 -0.27 1.69 0.00 0.52 0.00 0.00 175.17 177.16 1rkx h SER 308 N 1.43 0.52 -0.06 0.00 0.02 -1.92 -2.81 113.55 110.72 1rkx h SER 308 Ca 0.45 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1rkx h SER 308 Cb 1.74 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.14 1rkx h SER 308 CO 0.94 0.68 0.03 0.50 -1.14 0.00 0.00 176.83 177.84 1rkx h LYS 309 N 0.50 0.09 -0.83 3.45 3.64 -1.92 0.18 116.57 121.68 1rkx h LYS 309 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1rkx h LYS 309 Cb 0.50 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1rkx h LYS 309 CO 0.03 0.19 0.51 0.00 -2.27 0.00 0.00 179.45 177.91 1rkx h ALA 310 N 0.90 1.05 0.02 5.00 0.00 -1.78 0.23 119.26 124.68 1rkx h ALA 310 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rkx h ALA 310 Cb 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1rkx h ALA 310 CO -0.00 0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 179.52 1rkx h LYS 311 N 1.13 -0.03 -0.02 0.00 3.64 -1.30 -0.44 116.57 119.56 1rkx h LYS 311 Ca 0.30 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.52 1rkx h LYS 311 Cb -0.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1rkx h LYS 311 CO -0.06 0.33 -0.72 0.52 -2.27 0.00 0.00 179.45 177.24 1rkx h MET 312 N -0.38 0.13 0.00 1.90 2.86 -0.53 -2.29 114.93 116.62 1rkx h MET 312 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1rkx h MET 312 Cb 0.36 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1rkx h MET 312 CO 0.00 0.80 -1.60 1.04 1.06 0.00 0.00 176.91 178.21 1rkx n GLN 313 N -3.74 0.62 -0.00 1.72 6.02 0.81 -4.59 117.38 118.22 1rkx n GLN 313 Ca -0.02 -0.13 0.04 0.00 -0.01 0.00 0.00 57.00 56.88 1rkx n GLN 313 Cb 0.70 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 30.57 1rkx n GLN 313 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rkx n LEU 314 N -1.96 0.15 -0.58 1.08 4.77 -0.24 -4.99 117.00 115.23 1rkx n LEU 314 Ca -0.02 -0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1rkx n LEU 314 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1rkx n LEU 314 CO 0.32 0.04 -0.07 0.61 -1.33 0.00 0.00 177.39 176.96 1rkx n GLY 315 N 1.68 0.51 3.84 -0.72 0.00 -0.82 -4.99 105.19 104.69 1rkx n GLY 315 Ca -0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1rkx n GLY 315 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rkx s TRP 316 N -2.27 3.37 -0.22 1.61 -0.00 -0.87 -4.96 118.94 115.61 1rkx s TRP 316 Ca 0.00 1.33 -0.27 0.00 -0.00 0.00 0.00 56.10 57.17 1rkx s TRP 316 Cb 0.00 -2.64 0.09 0.00 -0.00 0.00 0.00 33.47 30.92 1rkx s TRP 316 CO 0.00 -0.04 0.84 -3.38 -0.00 0.00 0.00 176.95 174.37 1rkx s HIS 317 N -2.16 -0.63 1.18 5.86 -3.43 -1.26 -3.93 115.29 110.93 1rkx s HIS 317 Ca 0.56 1.42 -0.17 0.00 -0.80 0.00 0.00 55.06 56.08 1rkx s HIS 317 Cb -0.10 0.34 0.28 0.00 -1.43 0.00 0.00 32.58 31.67 1rkx s HIS 317 CO 0.19 -0.37 1.06 -2.14 -2.00 0.00 0.00 174.74 171.48 1rkx s PRO 318 N -0.10 -1.07 0.00 -0.38 0.02 -1.26 -5.01 135.00 127.20 1rkx s PRO 318 Ca -0.01 0.26 0.00 0.00 0.02 0.00 0.00 61.00 61.27 1rkx s PRO 318 Cb -0.04 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.90 1rkx s PRO 318 CO 0.01 -3.68 0.00 0.54 -0.33 0.00 0.00 177.00 173.54 1rkx n ARG 319 N -4.79 1.84 -4.61 5.54 1.74 -1.26 -5.07 116.66 110.04 1rkx n ARG 319 Ca 0.09 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 1rkx n ARG 319 Cb 0.58 -0.73 -0.12 0.00 -1.02 0.00 0.00 32.46 31.17 1rkx n ARG 319 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1rkx s TRP 320 N -1.47 2.93 0.76 -1.55 0.51 -1.26 -5.01 118.94 113.87 1rkx s TRP 320 Ca 0.00 -0.09 -0.09 0.00 -2.12 0.00 0.00 56.10 53.80 1rkx s TRP 320 Cb 0.00 -1.76 0.07 0.00 -0.81 0.00 0.00 33.47 30.97 1rkx s TRP 320 CO 0.00 0.22 1.11 0.54 -0.51 0.00 0.00 176.95 178.31 1rkx s ASN 321 N -0.52 4.61 0.26 2.95 4.22 -1.26 -4.83 114.94 120.37 1rkx s ASN 321 Ca 0.08 0.61 -0.03 0.00 -2.14 0.00 0.00 52.86 51.38 1rkx s ASN 321 Cb -0.12 -1.16 0.42 0.00 1.28 0.00 0.00 41.25 41.67 1rkx s ASN 321 CO 0.02 -1.78 1.85 0.25 -2.04 0.00 0.00 177.10 175.39 1rkx h LEU 322 N -0.86 0.88 -0.01 3.54 5.85 -1.92 -1.41 115.31 121.39 1rkx h LEU 322 Ca -0.45 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1rkx h LEU 322 Cb 1.32 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1rkx h LEU 322 CO 0.63 0.53 0.01 0.78 -0.34 0.00 0.00 178.44 180.04 1rkx h ASN 323 N 1.00 0.01 -0.50 1.25 4.21 -1.97 0.29 115.58 119.86 1rkx h ASN 323 Ca 0.42 -0.11 0.04 0.00 1.21 0.00 0.00 56.30 57.87 1rkx h ASN 323 Cb 0.28 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.44 1rkx h ASN 323 CO -0.21 0.12 0.26 0.74 -1.29 0.00 0.00 177.43 177.05 1rkx h THR 324 N -0.09 0.97 0.20 2.81 2.02 -1.87 -1.35 112.91 115.59 1rkx h THR 324 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1rkx h THR 324 Cb 0.11 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1rkx h THR 324 CO -0.00 0.09 -0.20 0.74 0.37 0.00 0.00 175.52 176.52 1rkx h THR 325 N 0.50 0.57 -0.58 3.16 2.02 -0.94 -1.64 112.91 116.01 1rkx h THR 325 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 1rkx h THR 325 Cb 0.12 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1rkx h THR 325 CO -0.15 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.05 1rkx h LEU 326 N -0.43 0.62 -0.18 2.58 3.38 -0.73 -1.71 115.31 118.84 1rkx h LEU 326 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1rkx h LEU 326 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rkx h LEU 326 CO -0.05 0.44 0.07 -0.08 0.09 0.00 0.00 178.44 178.91 1rkx h GLU 327 N 0.73 0.28 -0.54 1.13 4.81 -0.83 -2.04 114.58 118.12 1rkx h GLU 327 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1rkx h GLU 327 Cb -0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1rkx h GLU 327 CO -0.05 0.37 0.32 1.88 -0.73 0.00 0.00 179.01 180.80 1rkx h TYR 328 N 0.13 0.69 0.17 0.92 -1.99 -0.78 -1.36 116.97 114.75 1rkx h TYR 328 Ca 0.06 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1rkx h TYR 328 Cb 0.20 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1rkx h TYR 328 CO -0.01 0.46 -0.08 0.82 -0.00 0.00 0.00 178.16 179.35 1rkx h ILE 329 N 0.73 0.85 -0.73 -2.88 1.08 -0.93 0.15 117.51 115.78 1rkx h ILE 329 Ca 0.19 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1rkx h ILE 329 Cb -0.03 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 1rkx h ILE 329 CO -0.04 0.01 0.43 0.58 -0.69 0.00 0.00 178.15 178.44 1rkx h VAL 330 N -0.25 1.21 -0.26 1.67 2.07 -1.08 -1.34 116.25 118.28 1rkx h VAL 330 Ca -0.02 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1rkx h VAL 330 Cb 0.20 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1rkx h VAL 330 CO 0.04 0.23 0.16 1.23 0.02 0.00 0.00 177.57 179.24 1rkx h GLY 331 N 1.00 0.36 0.99 2.17 0.00 -0.95 -0.22 103.07 106.42 1rkx h GLY 331 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1rkx h GLY 331 CO -0.05 0.12 -0.11 -0.25 0.00 0.00 0.00 176.54 176.25 1rkx h TRP 332 N 0.33 -0.27 -0.77 5.60 7.01 -0.69 -1.10 115.95 126.05 1rkx h TRP 332 Ca 0.10 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1rkx h TRP 332 Cb -0.02 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 1rkx h TRP 332 CO -0.07 -0.16 0.40 1.25 -2.79 0.00 0.00 178.44 177.07 1rkx h HIS 333 N -0.31 1.06 -0.27 2.65 2.76 -1.11 -0.58 115.15 119.35 1rkx h HIS 333 Ca -0.03 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.00 1rkx h HIS 333 Cb 0.23 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1rkx h HIS 333 CO -0.06 0.75 -0.30 0.87 -1.30 0.00 0.00 177.93 177.88 1rkx h LYS 334 N 1.08 0.55 -0.30 5.26 1.57 -0.90 -1.58 116.57 122.24 1rkx h LYS 334 Ca 0.27 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1rkx h LYS 334 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1rkx h LYS 334 CO -0.04 0.79 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.71 1rkx h ASN 335 N 0.47 0.53 -0.34 0.86 4.21 -0.51 -0.54 115.58 120.27 1rkx h ASN 335 Ca 0.06 -0.32 0.05 0.00 1.21 0.00 0.00 56.30 57.30 1rkx h ASN 335 Cb 0.77 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.78 1rkx h ASN 335 CO 0.06 0.72 0.09 -0.25 -1.29 0.00 0.00 177.43 176.76 1rkx h TRP 336 N 0.33 0.15 -0.91 1.19 7.01 -0.93 -1.65 115.95 121.14 1rkx h TRP 336 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1rkx h TRP 336 Cb 0.45 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1rkx h TRP 336 CO 0.04 0.04 0.57 -0.07 -2.79 0.00 0.00 178.44 176.23 1rkx h LEU 337 N 0.21 1.08 0.00 0.65 3.38 -1.13 -2.07 115.31 117.42 1rkx h LEU 337 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rkx h LEU 337 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1rkx h LEU 337 CO -0.19 0.81 0.00 -1.54 0.09 0.00 0.00 178.44 177.61 1rkx n SER 338 N -4.37 0.00 0.00 -0.43 3.41 -0.22 -4.88 113.62 107.12 1rkx n SER 338 Ca 0.10 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1rkx n SER 338 Cb 0.05 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1rkx n SER 338 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rkx n GLY 339 N 0.44 0.76 3.66 5.00 0.00 -0.78 -5.06 105.19 109.21 1rkx n GLY 339 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1rkx n GLY 339 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rkx n THR 340 N -2.18 4.09 -2.13 2.61 -1.04 -0.70 -4.87 114.28 110.06 1rkx n THR 340 Ca 0.00 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 1rkx n THR 340 Cb 0.00 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1rkx n THR 340 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rkx s ASP 341 N -1.39 5.79 0.08 8.00 -1.08 -1.26 -4.73 116.67 122.07 1rkx s ASP 341 Ca 0.79 0.74 0.25 0.00 -0.52 0.00 0.00 52.55 53.81 1rkx s ASP 341 Cb -0.39 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 39.52 1rkx s ASP 341 CO 0.44 -1.89 1.77 0.23 0.52 0.00 0.00 175.17 176.25 1rkx n MET 342 N 8.67 0.09 0.04 4.34 2.81 -1.26 -1.64 117.12 130.17 1rkx n MET 342 Ca 0.19 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 56.12 1rkx n MET 342 Cb 0.49 -1.62 -0.09 0.00 -0.71 0.00 0.00 33.22 31.30 1rkx n MET 342 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rkx h HIS 343 N 0.00 -0.17 -0.60 2.03 -0.00 -1.75 -1.59 115.15 113.08 1rkx h HIS 343 Ca 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 1rkx h HIS 343 Cb 0.49 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 1rkx h HIS 343 CO 0.00 0.30 0.01 0.93 -0.00 0.00 0.00 177.93 179.17 1rkx h GLU 344 N -0.77 1.04 -0.60 5.26 4.39 -1.88 -2.07 114.58 119.96 1rkx h GLU 344 Ca -0.02 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1rkx h GLU 344 Cb 0.54 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1rkx h GLU 344 CO 0.03 1.01 0.39 -0.92 -1.16 0.00 0.00 179.01 178.36 1rkx h TYR 345 N 0.96 0.76 -0.38 4.33 3.20 -1.37 -1.15 116.97 123.32 1rkx h TYR 345 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1rkx h TYR 345 Cb 0.54 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1rkx h TYR 345 CO 0.04 0.49 -0.10 0.77 -1.64 0.00 0.00 178.16 177.71 1rkx h SER 346 N 0.81 0.64 -0.53 -2.11 0.02 -1.10 -1.13 113.55 110.15 1rkx h SER 346 Ca 0.22 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1rkx h SER 346 Cb -0.08 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1rkx h SER 346 CO -0.05 0.78 0.17 0.40 -1.14 0.00 0.00 176.83 176.99 1rkx h ILE 347 N 0.60 1.23 -0.41 3.27 1.08 -0.90 -1.66 117.51 120.73 1rkx h ILE 347 Ca 0.11 -0.78 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1rkx h ILE 347 Cb 0.53 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1rkx h ILE 347 CO 0.03 0.29 0.01 0.74 -0.69 0.00 0.00 178.15 178.53 1rkx h THR 348 N 0.73 1.22 -0.64 -0.27 2.02 -0.86 -1.04 112.91 114.07 1rkx h THR 348 Ca 0.17 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1rkx h THR 348 Cb 0.27 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1rkx h THR 348 CO -0.01 0.31 0.26 -0.08 0.37 0.00 0.00 175.52 176.37 1rkx h GLU 349 N 0.63 0.96 -0.71 6.66 4.81 -0.74 0.20 114.58 126.40 1rkx h GLU 349 Ca 0.13 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1rkx h GLU 349 Cb 0.38 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1rkx h GLU 349 CO 0.01 0.81 0.30 0.82 -0.73 0.00 0.00 179.01 180.22 1rkx h ILE 350 N 0.90 1.24 -0.59 2.32 2.04 -0.80 -1.30 117.51 121.33 1rkx h ILE 350 Ca 0.21 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1rkx h ILE 350 Cb 0.21 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1rkx h ILE 350 CO -0.02 0.30 0.18 0.78 0.00 0.00 0.00 178.15 179.40 1rkx h ASN 351 N 1.01 0.85 -0.98 1.72 2.35 -0.53 0.31 115.58 120.31 1rkx h ASN 351 Ca 0.24 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1rkx h ASN 351 Cb 0.19 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1rkx h ASN 351 CO -0.02 0.83 0.64 0.78 -1.65 0.00 0.00 177.43 178.02 1rkx h ASN 352 N 0.83 1.09 -0.05 5.81 -0.26 -0.27 0.37 115.58 123.09 1rkx h ASN 352 Ca 0.19 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1rkx h ASN 352 Cb 0.29 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1rkx h ASN 352 CO -0.01 0.76 0.00 0.22 -1.06 0.00 0.00 177.43 177.35 1rkx h TYR 353 N 1.27 0.10 -1.00 1.19 3.20 -0.80 -2.73 116.97 118.22 1rkx h TYR 353 Ca 0.38 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.27 1rkx h TYR 353 Cb -0.06 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1rkx h TYR 353 CO -0.00 0.36 0.65 1.98 -1.64 0.00 0.00 178.16 179.51 1rkx h MET 354 N -0.18 1.21 -0.20 1.82 4.05 -0.41 -1.76 114.93 119.45 1rkx h MET 354 Ca 0.02 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1rkx h MET 354 Cb 0.32 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1rkx h MET 354 CO 0.00 0.80 0.00 0.09 0.23 0.00 0.00 176.91 178.03 1rkx n ASN 355 N -4.46 1.09 -4.68 1.39 3.02 0.12 -4.81 115.26 106.94 1rkx n ASN 355 Ca 0.14 -1.97 -0.38 0.00 -0.03 0.00 0.00 54.58 52.33 1rkx n ASN 355 Cb 0.11 -0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 1rkx n ASN 355 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1rkx s THR 356 N -1.73 5.19 0.00 3.41 2.01 -0.67 -5.03 115.64 118.82 1rkx s THR 356 Ca 0.15 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.91 1rkx s THR 356 Cb 0.08 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1rkx s THR 356 CO 0.10 0.26 0.30 2.29 -0.69 0.00 0.00 174.62 176.89