#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 6.23 0.26 4.38 3.04 -1.26 -4.94 114.94 122.65 1rkx s ASN 3 Ca 0.00 -0.82 -0.01 0.00 0.04 0.00 0.00 52.86 52.07 1rkx s ASN 3 Cb 0.00 -2.28 0.48 0.00 -1.54 0.00 0.00 41.25 37.92 1rkx s ASN 3 CO 0.00 -0.81 1.81 0.78 -3.04 0.00 0.00 177.10 175.84 1rkx h ASN 4 N 8.92 0.76 0.33 -4.21 -0.26 -2.01 -0.26 115.58 118.85 1rkx h ASN 4 Ca -0.27 0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.48 1rkx h ASN 4 Cb 1.10 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.26 1rkx h ASN 4 CO 0.92 0.40 -0.21 0.77 -1.06 0.00 0.00 177.43 178.25 1rkx h SER 5 N 0.85 0.00 -0.34 5.81 4.64 -1.92 -2.62 113.55 119.97 1rkx h SER 5 Ca 0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 1rkx h SER 5 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1rkx h SER 5 CO -0.27 0.21 -0.03 0.15 -0.87 0.00 0.00 176.83 176.01 1rkx h PHE 6 N 0.00 0.69 0.00 4.77 3.57 -1.42 -3.20 116.94 121.35 1rkx h PHE 6 Ca -0.00 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 1rkx h PHE 6 Cb 0.43 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1rkx h PHE 6 CO 0.00 0.76 -0.32 -1.49 -2.23 0.00 0.00 178.31 175.03 1rkx h TRP 7 N 0.43 0.00 -1.72 0.41 4.06 -1.27 -3.42 115.95 114.43 1rkx h TRP 7 Ca 0.09 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.35 1rkx h TRP 7 Cb 0.51 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.69 1rkx h TRP 7 CO 0.04 0.32 0.85 0.94 -3.56 0.00 0.00 178.44 177.03 1rkx n GLN 8 N -3.45 1.44 -0.29 0.49 -0.06 -1.06 -1.16 117.38 113.30 1rkx n GLN 8 Ca 0.00 0.53 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1rkx n GLN 8 Cb 0.49 -2.24 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 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 3.87 1.74 3.75 1.69 0.00 0.17 -4.89 105.19 111.52 1rkx n GLY 9 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 4.31 -0.44 1.61 -0.14 -0.31 -4.52 119.74 120.16 1rkx s LYS 10 Ca 0.00 2.25 -0.23 0.00 -1.36 0.00 0.00 55.97 56.63 1rkx s LYS 10 Cb 0.00 -3.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.07 1rkx s LYS 10 CO 0.00 -0.32 0.76 1.03 -0.76 0.00 0.00 175.35 176.05 1rkx s ARG 11 N -0.85 3.39 -0.15 1.68 0.52 -1.26 -0.19 118.95 122.09 1rkx s ARG 11 Ca 0.55 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1rkx s ARG 11 Cb -0.41 -3.94 -0.01 0.00 0.52 0.00 0.00 34.95 31.12 1rkx s ARG 11 CO 0.46 -1.09 -0.14 0.08 0.02 0.00 0.00 175.30 174.63 1rkx s VAL 12 N 3.19 2.80 -0.21 3.52 1.01 0.17 -1.21 120.40 129.67 1rkx s VAL 12 Ca 0.28 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1rkx s VAL 12 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1rkx s VAL 12 CO 0.22 0.52 0.07 0.12 0.00 0.00 0.00 175.10 176.02 1rkx s PHE 13 N 0.67 3.18 -0.19 5.22 5.36 -0.18 -1.06 117.98 130.99 1rkx s PHE 13 Ca -0.07 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 1rkx s PHE 13 Cb -0.16 -2.14 0.04 0.00 -0.34 0.00 0.00 43.02 40.42 1rkx s PHE 13 CO 0.02 -0.04 -0.09 0.08 -1.46 0.00 0.00 175.22 173.74 1rkx s VAL 14 N 0.86 1.50 0.23 3.12 1.01 0.64 -1.10 120.40 126.66 1rkx s VAL 14 Ca 0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1rkx s VAL 14 Cb -0.14 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 1rkx s VAL 14 CO 0.02 0.16 0.72 0.42 0.00 0.00 0.00 175.10 176.42 1rkx s THR 15 N 1.46 4.60 -0.07 3.92 -4.23 -0.61 -1.66 115.64 119.05 1rkx s THR 15 Ca -0.01 1.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1rkx s THR 15 Cb -0.16 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1rkx s THR 15 CO -0.08 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1rkx n GLY 16 N 0.55 0.41 0.19 3.99 0.00 -0.60 -2.06 105.19 107.66 1rkx n GLY 16 Ca -0.01 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.06 1.61 -0.00 -1.78 -2.57 115.15 112.35 1rkx h HIS 17 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1rkx h HIS 17 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1rkx h HIS 17 CO 0.02 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.20 1rkx n THR 18 N -2.50 0.07 -2.82 6.12 -2.24 -1.26 -2.96 114.28 108.68 1rkx n THR 18 Ca 0.01 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 1rkx n THR 18 Cb 0.19 0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.58 0.33 3.38 0.00 -0.97 -4.37 105.19 106.25 1rkx n GLY 19 Ca 0.18 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.11 -0.76 -0.58 1.61 3.57 -1.88 -0.07 116.94 118.71 1rkx h PHE 20 Ca -0.10 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 1rkx h PHE 20 Cb 0.43 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1rkx h PHE 20 CO 0.00 -0.48 -0.04 0.87 -2.23 0.00 0.00 178.31 176.44 1rkx h LYS 21 N -0.91 1.04 -0.68 1.11 1.57 -1.96 -2.80 116.57 113.93 1rkx h LYS 21 Ca -0.08 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1rkx h LYS 21 Cb 0.63 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1rkx h LYS 21 CO 0.14 1.05 0.30 0.78 -0.57 0.00 0.00 179.45 181.14 1rkx h GLY 22 N 0.93 1.06 0.80 3.86 0.00 -1.65 -1.04 103.07 107.03 1rkx h GLY 22 Ca 0.16 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1rkx h GLY 22 CO 0.04 0.51 0.01 -1.33 0.00 0.00 0.00 176.54 175.77 1rkx h GLY 23 N 1.05 0.26 1.01 4.60 0.00 -0.88 0.73 103.07 109.83 1rkx h GLY 23 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1rkx h GLY 23 CO -0.03 0.17 0.37 1.49 0.00 0.00 0.00 176.54 178.54 1rkx h TRP 24 N 0.01 0.98 -0.39 5.60 4.06 -1.31 -0.53 115.95 124.37 1rkx h TRP 24 Ca 0.04 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1rkx h TRP 24 Cb 0.33 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 1rkx h TRP 24 CO 0.02 0.71 0.13 1.25 -3.56 0.00 0.00 178.44 176.99 1rkx h LEU 25 N 0.97 0.55 -0.57 -4.49 5.85 -1.06 -0.60 115.31 115.96 1rkx h LEU 25 Ca 0.25 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1rkx h LEU 25 Cb 0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1rkx h LEU 25 CO -0.04 0.59 0.34 0.28 -0.34 0.00 0.00 178.44 179.28 1rkx h SER 26 N 0.48 0.69 -0.67 1.25 0.02 -0.60 0.33 113.55 115.04 1rkx h SER 26 Ca 0.13 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1rkx h SER 26 Cb 0.23 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1rkx h SER 26 CO -0.01 0.55 0.35 -0.07 -1.14 0.00 0.00 176.83 176.51 1rkx h LEU 27 N 0.77 0.86 -0.11 5.07 3.38 -0.92 -0.45 115.31 123.91 1rkx h LEU 27 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rkx h LEU 27 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1rkx h LEU 27 CO -0.04 0.72 0.06 -0.25 0.09 0.00 0.00 178.44 179.03 1rkx h TRP 28 N 0.93 0.14 -0.59 1.13 2.91 -0.58 -0.90 115.95 118.99 1rkx h TRP 28 Ca 0.23 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.28 1rkx h TRP 28 Cb 0.07 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 1rkx h TRP 28 CO -0.00 0.14 0.36 -0.07 -1.03 0.00 0.00 178.44 177.84 1rkx h LEU 29 N 0.10 0.59 -0.35 0.65 3.38 -0.73 -2.45 115.31 116.50 1rkx h LEU 29 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1rkx h LEU 29 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1rkx h LEU 29 CO -0.01 0.42 0.20 1.56 0.09 0.00 0.00 178.44 180.70 1rkx h GLN 30 N 0.72 0.39 0.00 1.13 4.20 -0.79 -1.90 115.11 118.86 1rkx h GLN 30 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1rkx h GLN 30 Cb 0.01 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1rkx h GLN 30 CO -0.09 0.26 -0.06 1.79 -0.67 0.00 0.00 178.83 180.06 1rkx h THR 31 N 0.40 0.61 -0.36 -0.54 1.35 -0.80 -1.02 112.91 112.55 1rkx h THR 31 Ca 0.14 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1rkx h THR 31 Cb 0.01 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1rkx h THR 31 CO -0.07 0.06 0.00 0.23 -0.25 0.00 0.00 175.52 175.49 1rkx n MET 32 N -3.84 1.89 -0.86 4.72 2.81 -0.82 -4.92 117.12 116.10 1rkx n MET 32 Ca -0.03 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.49 1rkx n MET 32 Cb 0.15 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.13 0.54 3.83 3.03 0.00 -0.39 -2.92 105.19 110.41 1rkx n GLY 33 Ca 0.14 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 2.88 -0.50 4.61 0.00 -0.78 -0.65 121.76 125.32 1rkx s ALA 34 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1rkx s ALA 34 Cb 0.00 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 20.03 1rkx s ALA 34 CO 0.00 -0.69 0.51 0.99 0.00 0.00 0.00 175.76 176.56 1rkx s THR 35 N -2.71 5.07 -0.08 0.00 2.01 0.73 -4.61 115.64 116.05 1rkx s THR 35 Ca 0.60 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1rkx s THR 35 Cb -0.13 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1rkx s THR 35 CO 0.41 -0.72 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.91 1rkx s VAL 36 N 2.07 4.13 -0.05 3.82 1.01 -1.26 -0.66 120.40 129.46 1rkx s VAL 36 Ca 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1rkx s VAL 36 Cb -0.23 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1rkx s VAL 36 CO 0.08 0.59 -0.13 -0.75 0.00 0.00 0.00 175.10 174.89 1rkx s LYS 37 N -0.90 1.60 0.15 2.72 2.20 -0.22 -0.95 119.74 124.34 1rkx s LYS 37 Ca 0.13 -0.47 0.09 0.00 -0.36 0.00 0.00 55.97 55.37 1rkx s LYS 37 Cb -0.11 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.80 1rkx s LYS 37 CO 0.02 0.12 -0.14 0.20 -0.36 0.00 0.00 175.35 175.20 1rkx s GLY 38 N 0.34 1.72 -0.17 5.54 0.00 0.54 -0.26 107.32 115.04 1rkx s GLY 38 Ca -0.08 -1.41 -0.05 0.00 0.00 0.00 0.00 44.72 43.18 1rkx s GLY 38 CO 0.03 -1.41 0.10 -0.47 0.00 0.00 0.00 173.10 171.35 1rkx s TYR 39 N -1.42 0.15 0.31 1.90 5.04 -0.67 -0.72 117.35 121.94 1rkx s TYR 39 Ca 0.21 -0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.47 1rkx s TYR 39 Cb -0.10 -0.65 0.02 0.00 0.35 0.00 0.00 41.96 41.58 1rkx s TYR 39 CO 0.13 -0.50 0.62 -1.12 -1.34 0.00 0.00 175.55 173.34 1rkx s SER 40 N 2.16 0.11 0.74 4.32 0.01 -0.92 -1.56 113.70 118.55 1rkx s SER 40 Ca 0.03 -1.04 -0.07 0.00 1.31 0.00 0.00 55.95 56.17 1rkx s SER 40 Cb -0.16 0.71 0.08 0.00 0.21 0.00 0.00 66.02 66.87 1rkx s SER 40 CO -0.09 -1.38 1.06 -0.76 0.41 0.00 0.00 173.24 172.48 1rkx s LEU 41 N -3.06 2.80 0.50 2.44 1.43 -1.21 -0.09 118.68 121.50 1rkx s LEU 41 Ca 0.20 0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 53.47 1rkx s LEU 41 Cb -0.03 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 1rkx s LEU 41 CO 0.12 -1.76 1.02 0.41 0.23 0.00 0.00 176.35 176.37 1rkx n THR 42 N -3.03 2.99 -1.48 5.49 -1.04 -1.26 -4.78 114.28 111.18 1rkx n THR 42 Ca 0.09 -0.50 -0.57 0.00 -2.04 0.00 0.00 64.05 61.04 1rkx n THR 42 Cb 0.60 -1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 67.83 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 -1.00 -3.50 0.31 2.41 0.00 -1.26 -4.83 120.51 112.63 1rkx n ALA 43 Ca 0.11 0.57 0.20 0.00 0.00 0.00 0.00 53.44 54.31 1rkx n ALA 43 Cb 0.43 -1.73 0.95 0.00 0.00 0.00 0.00 19.45 19.10 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 2.61 0.00 -4.74 0.00 0.13 -1.86 -3.46 132.00 124.67 1rkx h PRO 44 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1rkx h PRO 44 Cb 1.43 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.41 1rkx h PRO 44 CO 0.63 0.01 -0.60 0.95 -0.23 0.00 0.00 178.00 178.76 1rkx s THR 45 N -3.96 0.21 -0.09 1.56 -4.23 -1.26 -5.10 115.64 102.77 1rkx s THR 45 Ca -0.02 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1rkx s THR 45 Cb 0.11 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.46 1rkx s THR 45 CO 0.48 0.00 0.10 -0.69 -0.54 0.00 0.00 174.62 173.97 1rkx s VAL 46 N -3.91 -0.15 1.17 2.29 1.01 -1.26 -3.75 120.40 115.79 1rkx s VAL 46 Ca 0.38 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1rkx s VAL 46 Cb 0.07 -0.32 0.27 0.00 0.00 0.00 0.00 36.38 36.40 1rkx s VAL 46 CO 0.14 0.03 1.11 -2.84 0.00 0.00 0.00 175.10 173.54 1rkx s PRO 47 N 2.20 -0.93 0.02 2.72 0.02 -1.26 -5.10 135.00 132.67 1rkx s PRO 47 Ca 0.04 0.04 -0.04 0.00 0.02 0.00 0.00 61.00 61.06 1rkx s PRO 47 Cb -0.13 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 1rkx s PRO 47 CO -0.06 -3.54 0.05 -1.54 -0.33 0.00 0.00 177.00 171.58 1rkx s SER 48 N -3.81 0.19 0.24 2.53 1.04 -1.25 -4.70 113.70 107.95 1rkx s SER 48 Ca 0.70 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 1rkx s SER 48 Cb -0.11 0.18 0.26 0.00 0.10 0.00 0.00 66.02 66.44 1rkx s SER 48 CO 0.56 -0.41 1.84 0.25 0.98 0.00 0.00 173.24 176.46 1rkx h LEU 49 N 4.10 1.03 -0.57 2.42 5.85 -1.89 -0.91 115.31 125.36 1rkx h LEU 49 Ca -0.32 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.39 1rkx h LEU 49 Cb 1.19 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 1rkx h LEU 49 CO 0.46 0.88 -0.20 0.15 -0.34 0.00 0.00 178.44 179.39 1rkx h PHE 50 N 1.13 -0.49 0.11 1.25 3.57 -1.84 0.11 116.94 120.77 1rkx h PHE 50 Ca 0.27 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.66 1rkx h PHE 50 Cb 0.13 0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.18 1rkx h PHE 50 CO 0.01 -0.30 -0.77 0.93 -2.23 0.00 0.00 178.31 175.96 1rkx h GLU 51 N -0.07 0.23 -0.73 1.11 4.39 -1.88 -1.55 114.58 116.07 1rkx h GLU 51 Ca 0.26 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1rkx h GLU 51 Cb 0.48 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1rkx h GLU 51 CO -0.62 1.19 0.32 1.79 -1.16 0.00 0.00 179.01 180.53 1rkx h THR 52 N -0.50 1.24 -0.60 1.13 1.35 -0.99 -2.53 112.91 112.02 1rkx h THR 52 Ca -0.15 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1rkx h THR 52 Cb 1.53 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1rkx h THR 52 CO 0.10 0.30 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 1rkx n ALA 53 N -2.44 2.91 -4.08 6.62 0.00 0.37 -3.98 120.51 119.91 1rkx n ALA 53 Ca 0.07 -1.35 -0.31 0.00 0.00 0.00 0.00 53.44 51.85 1rkx n ALA 53 Cb 0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 1.08 -1.84 -0.34 0.00 1.74 -0.95 -4.24 116.66 112.10 1rkx n ARG 54 Ca 0.23 0.25 -0.01 0.00 -0.77 0.00 0.00 57.85 57.54 1rkx n ARG 54 Cb 0.75 -3.88 0.14 0.00 -1.02 0.00 0.00 32.46 28.46 1rkx n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1rkx h VAL 55 N -1.93 1.24 0.00 1.55 2.07 -1.51 -3.04 116.25 114.63 1rkx h VAL 55 Ca -0.66 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1rkx h VAL 55 Cb 1.39 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1rkx h VAL 55 CO 0.63 0.23 -0.18 0.00 0.02 0.00 0.00 177.57 178.28 1rkx h ALA 56 N 1.41 1.09 -0.57 1.67 0.00 -1.89 -3.34 119.26 117.62 1rkx h ALA 56 Ca 0.35 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1rkx h ALA 56 Cb -0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 1rkx h ALA 56 CO -0.08 0.22 -0.16 -0.44 0.00 0.00 0.00 179.25 178.80 1rkx h ASP 57 N 0.00 -0.57 -0.98 0.00 5.19 -1.91 -2.69 116.42 115.45 1rkx h ASP 57 Ca -0.00 0.18 -0.57 0.00 -0.62 0.00 0.00 57.03 56.01 1rkx h ASP 57 Cb 0.60 0.37 -0.30 0.00 0.18 0.00 0.00 39.33 40.18 1rkx h ASP 57 CO 0.02 -0.20 0.73 0.61 -3.12 0.00 0.00 179.24 177.28 1rkx n GLY 58 N -1.40 4.96 3.77 2.75 0.00 -1.25 -4.96 105.19 109.05 1rkx n GLY 58 Ca 0.06 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.44 1.91 -0.34 1.61 0.23 -1.01 -4.75 119.30 113.50 1rkx s MET 59 Ca 0.59 -1.24 -0.18 0.00 -1.03 0.00 0.00 55.69 53.84 1rkx s MET 59 Cb 0.48 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 34.36 1rkx s MET 59 CO 0.07 -0.86 0.49 -1.14 -2.03 0.00 0.00 175.02 171.54 1rkx s GLN 60 N -3.35 3.63 -0.23 3.16 0.74 -0.12 -4.93 119.66 118.56 1rkx s GLN 60 Ca 0.16 -0.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.34 1rkx s GLN 60 Cb -0.04 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.25 1rkx s GLN 60 CO 0.10 -0.61 -0.01 0.45 -0.55 0.00 0.00 175.29 174.67 1rkx s SER 61 N 1.75 4.55 -0.08 6.67 0.15 -1.26 -0.33 113.70 125.14 1rkx s SER 61 Ca 0.18 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1rkx s SER 61 Cb -0.16 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1rkx s SER 61 CO 0.13 -0.02 -0.20 -0.70 1.20 0.00 0.00 173.24 173.65 1rkx s GLU 62 N 1.51 2.81 -0.29 5.44 2.12 0.10 -4.96 118.70 125.43 1rkx s GLU 62 Ca 0.06 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 1rkx s GLU 62 Cb -0.14 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1rkx s GLU 62 CO -0.01 0.36 0.24 0.42 -0.54 0.00 0.00 175.26 175.73 1rkx s ILE 63 N -0.09 5.27 0.11 -3.70 -1.09 -1.26 -2.16 121.20 118.29 1rkx s ILE 63 Ca -0.04 0.21 -0.25 0.00 -2.23 0.00 0.00 60.65 58.33 1rkx s ILE 63 Cb -0.14 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1rkx s ILE 63 CO 0.04 0.19 0.77 -0.83 -1.23 0.00 0.00 174.94 173.88 1rkx s GLY 64 N 1.73 -0.45 -0.15 6.18 0.00 0.87 -4.92 107.32 110.59 1rkx s GLY 64 Ca 0.09 0.55 -0.14 0.00 0.00 0.00 0.00 44.72 45.22 1rkx s GLY 64 CO 0.11 0.18 0.30 -0.35 0.00 0.00 0.00 173.10 173.33 1rkx s ASP 65 N -2.69 6.46 0.00 1.64 -1.08 -1.26 -3.29 116.67 116.45 1rkx s ASP 65 Ca 0.05 0.54 0.15 0.00 -0.52 0.00 0.00 52.55 52.77 1rkx s ASP 65 Cb -0.02 -2.18 0.68 0.00 -1.46 0.00 0.00 42.92 39.94 1rkx s ASP 65 CO -0.07 0.13 1.45 2.30 0.52 0.00 0.00 175.17 179.50 1rkx n ILE 66 N 3.40 0.83 1.41 4.11 -5.35 -1.26 -1.46 119.36 121.03 1rkx n ILE 66 Ca -0.12 0.21 0.14 0.00 -0.27 0.00 0.00 62.75 62.70 1rkx n ILE 66 Cb 0.52 -0.95 0.58 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 -1.42 0.77 -3.08 6.28 1.74 -1.26 -4.43 116.66 115.26 1rkx n ARG 67 Ca 0.05 -0.30 -0.45 0.00 -0.77 0.00 0.00 57.85 56.38 1rkx n ARG 67 Cb 0.15 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.44 6.86 0.22 0.55 -1.08 -0.54 -4.90 116.67 115.35 1rkx s ASP 68 Ca 0.29 -2.63 -0.11 0.00 -0.52 0.00 0.00 52.55 49.59 1rkx s ASP 68 Cb 0.20 -2.33 0.31 0.00 -1.46 0.00 0.00 42.92 39.64 1rkx s ASP 68 CO 0.47 -0.77 1.64 -0.61 0.52 0.00 0.00 175.17 176.42 1rkx h GLN 69 N 7.90 0.05 -0.31 4.34 4.15 -1.85 -0.68 115.11 128.73 1rkx h GLN 69 Ca 0.18 -0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.43 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 1.04 0.04 -0.46 -0.97 -1.93 0.00 0.00 178.83 176.54 1rkx h ASN 70 N 0.06 0.94 -0.66 -0.69 -0.73 -1.96 -0.95 115.58 111.58 1rkx h ASN 70 Ca 0.34 -0.51 -0.05 0.00 1.87 0.00 0.00 56.30 57.95 1rkx h ASN 70 Cb 0.56 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 1rkx h ASN 70 CO -0.63 1.27 0.22 0.50 -0.37 0.00 0.00 177.43 178.41 1rkx h LYS 71 N 0.64 1.02 -0.51 6.67 3.64 -1.82 0.56 116.57 126.78 1rkx h LYS 71 Ca 0.03 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1rkx h LYS 71 Cb 1.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1rkx h LYS 71 CO 0.11 0.88 -0.01 1.25 -2.27 0.00 0.00 179.45 179.41 1rkx h LEU 72 N 0.95 0.89 -0.18 5.20 5.85 -1.09 -0.50 115.31 126.43 1rkx h LEU 72 Ca 0.21 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1rkx h LEU 72 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1rkx h LEU 72 CO -0.01 0.99 0.06 0.25 -0.34 0.00 0.00 178.44 179.39 1rkx h LEU 73 N 0.77 0.07 -0.94 2.25 5.85 -0.67 -1.77 115.31 120.86 1rkx h LEU 73 Ca 0.14 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1rkx h LEU 73 Cb 0.54 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1rkx h LEU 73 CO 0.03 0.07 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.80 1rkx h GLU 74 N 0.15 0.70 -0.75 1.25 4.39 -0.75 -0.46 114.58 119.11 1rkx h GLU 74 Ca 0.08 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1rkx h GLU 74 Cb 0.05 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1rkx h GLU 74 CO -0.08 0.76 0.41 1.03 -1.16 0.00 0.00 179.01 179.97 1rkx h SER 75 N 0.65 0.94 -0.17 1.42 0.87 -0.73 -0.30 113.55 116.23 1rkx h SER 75 Ca 0.12 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.38 1rkx h SER 75 Cb 0.50 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1rkx h SER 75 CO 0.03 0.77 -0.66 0.40 -0.53 0.00 0.00 176.83 176.83 1rkx h ILE 76 N 1.04 1.29 -0.48 2.23 2.04 -1.03 -3.02 117.51 119.58 1rkx h ILE 76 Ca 0.26 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.25 1rkx h ILE 76 Cb 0.04 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1rkx h ILE 76 CO -0.04 0.59 0.31 -0.09 0.00 0.00 0.00 178.15 178.92 1rkx h ARG 77 N 0.47 0.61 -0.62 2.37 2.43 -0.83 -1.00 114.38 117.80 1rkx h ARG 77 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1rkx h ARG 77 Cb 1.29 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1rkx h ARG 77 CO 0.14 0.40 0.33 1.49 -1.51 0.00 0.00 179.97 180.82 1rkx h GLU 78 N 0.63 0.87 0.03 0.20 4.22 -1.09 -3.20 114.58 116.23 1rkx h GLU 78 Ca 0.18 -0.10 -0.27 0.00 0.08 0.00 0.00 59.36 59.25 1rkx h GLU 78 Cb -0.05 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1rkx h GLU 78 CO -0.05 0.65 -1.45 0.35 -2.18 0.00 0.00 179.01 176.33 1rkx h PHE 79 N 0.87 0.10 -5.80 0.92 3.57 -1.35 -3.49 116.94 111.75 1rkx h PHE 79 Ca 0.22 -0.07 -0.34 0.00 3.53 0.00 0.00 57.97 61.31 1rkx h PHE 79 Cb 0.05 -0.00 0.14 0.00 2.79 0.00 0.00 35.95 38.92 1rkx h PHE 79 CO 0.01 1.10 -0.86 1.04 -2.23 0.00 0.00 178.31 177.36 1rkx n GLN 80 N -3.24 -3.03 -1.93 1.11 1.13 -0.40 -4.95 117.38 106.07 1rkx n GLN 80 Ca -0.12 0.71 -0.33 0.00 -1.94 0.00 0.00 57.00 55.32 1rkx n GLN 80 Cb 1.01 -5.26 0.03 0.00 0.11 0.00 0.00 30.24 26.13 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 -5.24 3.04 -0.08 -1.09 0.04 -1.26 -4.92 135.00 125.49 1rkx s PRO 81 Ca 0.32 1.38 0.17 0.00 0.04 0.00 0.00 61.00 62.91 1rkx s PRO 81 Cb -0.07 -1.98 -0.25 0.00 0.04 0.00 0.00 34.50 32.24 1rkx s PRO 81 CO 0.78 -1.06 0.27 0.39 0.04 0.00 0.00 177.00 177.42 1rkx n GLU 82 N -2.10 0.82 -4.24 4.56 1.02 -0.35 -3.88 120.64 116.46 1rkx n GLU 82 Ca 0.10 -0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1rkx n GLU 82 Cb 0.52 -1.43 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.93 0.57 -0.05 -3.67 1.01 -1.05 -0.14 121.20 114.95 1rkx s ILE 83 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1rkx s ILE 83 Cb 0.09 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1rkx s ILE 83 CO 0.72 0.19 -0.12 -0.69 0.00 0.00 0.00 174.94 175.04 1rkx s VAL 84 N 0.21 1.07 -0.23 2.92 1.01 0.04 -1.01 120.40 124.41 1rkx s VAL 84 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1rkx s VAL 84 Cb -0.07 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.39 1rkx s VAL 84 CO -0.00 0.33 -0.13 -0.36 0.00 0.00 0.00 175.10 174.94 1rkx s PHE 85 N 0.39 3.03 -0.53 5.22 0.40 -0.26 -0.43 117.98 125.81 1rkx s PHE 85 Ca -0.08 -1.85 -0.17 0.00 -0.60 0.00 0.00 56.93 54.23 1rkx s PHE 85 Cb -0.13 -1.97 0.10 0.00 0.51 0.00 0.00 43.02 41.54 1rkx s PHE 85 CO 0.02 -0.81 0.52 -1.58 0.70 0.00 0.00 175.22 174.08 1rkx s HIS 86 N 1.24 3.17 -0.27 0.36 2.46 -0.25 -1.57 115.29 120.43 1rkx s HIS 86 Ca -0.01 -1.02 0.04 0.00 0.47 0.00 0.00 55.06 54.53 1rkx s HIS 86 Cb -0.16 -3.62 -0.02 0.00 -0.13 0.00 0.00 32.58 28.65 1rkx s HIS 86 CO -0.08 -1.01 0.30 -1.33 -2.47 0.00 0.00 174.74 170.16 1rkx n MET 87 N 5.56 3.86 -2.21 2.88 2.81 -0.88 -1.27 117.12 127.88 1rkx n MET 87 Ca -0.12 -0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.12 1rkx n MET 87 Cb 0.42 -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 -1.02 3.56 -0.09 3.04 0.00 -1.10 -4.71 121.76 121.43 1rkx s ALA 88 Ca 0.02 1.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.75 1rkx s ALA 88 Cb 0.03 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.76 1rkx s ALA 88 CO 0.12 -0.58 1.24 0.00 0.00 0.00 0.00 175.76 176.54 1rkx s ALA 89 N 0.86 -2.14 -0.60 0.00 0.00 -1.26 -4.90 121.76 113.71 1rkx s ALA 89 Ca 0.62 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 53.46 1rkx s ALA 89 Cb -0.36 0.15 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1rkx s ALA 89 CO 0.32 -0.84 0.87 -1.14 0.00 0.00 0.00 175.76 174.97 1rkx s GLN 90 N -2.46 3.15 0.00 0.00 -0.44 -1.26 -4.91 119.66 113.74 1rkx s GLN 90 Ca 0.12 -0.80 0.29 0.00 -2.50 0.00 0.00 55.36 52.46 1rkx s GLN 90 Cb 0.02 -4.18 1.18 0.00 -1.64 0.00 0.00 33.01 28.39 1rkx s GLN 90 CO -0.04 -1.61 1.82 -0.35 0.50 0.00 0.00 175.29 175.61 1rkx n PRO 91 N 7.20 1.22 -3.55 1.67 -0.04 -1.26 -4.93 135.00 135.31 1rkx n PRO 91 Ca -0.04 -0.58 -0.37 0.00 -0.04 0.00 0.00 63.50 62.47 1rkx n PRO 91 Cb 0.45 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.18 4.14 0.04 1.53 1.43 -1.26 -4.99 118.68 117.40 1rkx s LEU 92 Ca 0.36 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.49 1rkx s LEU 92 Cb 0.21 -2.27 -0.17 0.00 0.03 0.00 0.00 46.19 43.98 1rkx s LEU 92 CO 0.40 0.02 1.50 0.58 0.23 0.00 0.00 176.35 179.08 1rkx h VAL 93 N 4.99 0.91 -0.27 -1.59 2.07 -1.98 -2.65 116.25 117.74 1rkx h VAL 93 Ca -0.38 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1rkx h VAL 93 Cb 1.17 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1rkx h VAL 93 CO 0.69 0.09 -0.13 -0.09 0.02 0.00 0.00 177.57 178.15 1rkx h ARG 94 N -0.41 -0.09 -0.06 1.57 2.43 -2.02 -1.12 114.38 114.67 1rkx h ARG 94 Ca -0.02 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1rkx h ARG 94 Cb 0.32 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1rkx h ARG 94 CO 0.04 -0.06 0.05 1.25 -1.51 0.00 0.00 179.97 179.73 1rkx h LEU 95 N -0.10 0.00 -2.03 3.80 5.85 -1.98 -1.66 115.31 119.19 1rkx h LEU 95 Ca 0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1rkx h LEU 95 Cb 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1rkx h LEU 95 CO -0.33 0.00 -0.03 0.77 -0.34 0.00 0.00 178.44 178.51 1rkx h SER 96 N 0.00 0.00 0.58 1.25 4.64 -0.82 0.94 113.55 120.14 1rkx h SER 96 Ca 0.03 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 1rkx h SER 96 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1rkx h SER 96 CO -0.00 0.03 -0.88 1.88 -0.87 0.00 0.00 176.83 176.99 1rkx h TYR 97 N 0.00 0.30 0.00 4.77 -1.99 -1.28 -2.05 116.97 116.73 1rkx h TYR 97 Ca -0.00 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 1rkx h TYR 97 Cb 0.32 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 1rkx h TYR 97 CO 0.00 0.98 -1.39 -1.13 -0.00 0.00 0.00 178.16 176.62 1rkx n SER 98 N -3.66 0.54 -3.07 3.88 3.41 -0.90 -4.52 113.62 109.31 1rkx n SER 98 Ca -0.04 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 1rkx n SER 98 Cb 0.81 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1rkx n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rkx n GLU 99 N -2.54 1.71 -0.28 4.33 1.02 0.27 -4.95 120.64 120.21 1rkx n GLU 99 Ca -0.02 -3.84 -0.04 0.00 -0.02 0.00 0.00 57.16 53.24 1rkx n GLU 99 Cb 0.57 -1.85 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 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 2.98 1.00 0.05 3.49 0.13 -1.60 -2.31 132.00 135.74 1rkx h PRO 100 Ca 0.10 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1rkx h PRO 100 Cb 0.85 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1rkx h PRO 100 CO 0.60 0.66 -0.02 0.28 -0.23 0.00 0.00 178.00 179.29 1rkx h VAL 101 N 1.03 0.95 -0.43 1.56 2.07 -1.92 -0.69 116.25 118.82 1rkx h VAL 101 Ca 0.28 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1rkx h VAL 101 Cb -0.11 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1rkx h VAL 101 CO -0.06 0.00 0.20 -0.33 0.02 0.00 0.00 177.57 177.39 1rkx h GLU 102 N -0.07 0.60 -0.14 1.57 4.39 -1.96 0.15 114.58 119.12 1rkx h GLU 102 Ca -0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1rkx h GLU 102 Cb 0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1rkx h GLU 102 CO 0.01 0.48 0.03 1.15 -1.16 0.00 0.00 179.01 179.52 1rkx h THR 103 N 0.60 1.20 -0.53 1.13 2.02 -0.88 0.53 112.91 116.98 1rkx h THR 103 Ca 0.15 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1rkx h THR 103 Cb 0.08 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1rkx h THR 103 CO -0.02 0.19 0.03 1.88 0.37 0.00 0.00 175.52 177.97 1rkx h TYR 104 N 0.03 1.00 -0.35 3.16 -1.99 -0.62 0.47 116.97 118.67 1rkx h TYR 104 Ca 0.04 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 1rkx h TYR 104 Cb 0.26 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1rkx h TYR 104 CO 0.01 0.91 0.19 0.66 -0.00 0.00 0.00 178.16 179.93 1rkx h SER 105 N 0.80 0.44 0.00 3.88 4.64 -0.59 0.15 113.55 122.88 1rkx h SER 105 Ca 0.15 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1rkx h SER 105 Cb 0.49 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1rkx h SER 105 CO 0.02 0.40 -0.00 0.74 -0.87 0.00 0.00 176.83 177.12 1rkx h THR 106 N 0.44 1.33 0.11 2.95 2.02 -0.78 -1.10 112.91 117.88 1rkx h THR 106 Ca 0.12 -1.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.04 1rkx h THR 106 Cb 0.06 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1rkx h THR 106 CO -0.02 0.26 -1.19 0.78 0.37 0.00 0.00 175.52 175.72 1rkx h ASN 107 N -0.43 0.55 0.00 4.18 2.35 -0.91 -2.77 115.58 118.54 1rkx h ASN 107 Ca -0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1rkx h ASN 107 Cb 0.43 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1rkx h ASN 107 CO 0.00 1.39 -0.40 0.52 -1.65 0.00 0.00 177.43 177.28 1rkx n VAL 108 N -3.64 1.09 0.08 2.81 0.31 0.52 -3.70 118.33 115.80 1rkx n VAL 108 Ca -0.09 0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.54 1rkx n VAL 108 Cb 0.98 -2.19 0.37 0.00 -0.91 0.00 0.00 33.84 32.09 1rkx n VAL 108 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rkx h MET 109 N -0.77 0.35 -0.72 5.55 2.86 -1.24 -0.97 114.93 119.98 1rkx h MET 109 Ca 0.00 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 109 Cb 0.40 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1rkx h MET 109 CO 0.00 0.42 0.47 0.78 1.06 0.00 0.00 176.91 179.64 1rkx h GLY 110 N 0.74 1.02 1.01 8.32 0.00 -0.91 0.35 103.07 113.59 1rkx h GLY 110 Ca 0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1rkx h GLY 110 CO 0.01 0.35 -0.05 -0.84 0.00 0.00 0.00 176.54 176.01 1rkx h THR 111 N 0.95 1.27 -0.21 4.70 2.02 -1.47 -1.72 112.91 118.45 1rkx h THR 111 Ca 0.27 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.32 1rkx h THR 111 Cb -0.07 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1rkx h THR 111 CO -0.07 0.40 0.11 0.58 0.37 0.00 0.00 175.52 176.90 1rkx h VAL 112 N 0.72 1.01 -0.74 3.16 2.07 -0.43 -1.43 116.25 120.61 1rkx h VAL 112 Ca 0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1rkx h VAL 112 Cb 0.58 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1rkx h VAL 112 CO 0.03 0.04 0.42 1.88 0.02 0.00 0.00 177.57 179.97 1rkx h TYR 113 N 0.23 0.99 0.05 1.57 0.99 -0.22 -0.01 116.97 120.57 1rkx h TYR 113 Ca 0.08 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1rkx h TYR 113 Cb 0.01 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.42 1rkx h TYR 113 CO -0.09 0.67 -0.02 1.25 -0.00 0.00 0.00 178.16 179.97 1rkx h LEU 114 N 1.02 -0.06 -1.04 3.88 5.85 -0.99 -1.32 115.31 122.66 1rkx h LEU 114 Ca 0.26 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1rkx h LEU 114 Cb -0.00 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1rkx h LEU 114 CO -0.05 0.21 0.27 -0.07 -0.34 0.00 0.00 178.44 178.46 1rkx h LEU 115 N -0.33 0.87 -0.59 2.25 3.38 -1.06 -1.49 115.31 118.35 1rkx h LEU 115 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1rkx h LEU 115 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1rkx h LEU 115 CO 0.01 0.77 0.15 -0.08 0.09 0.00 0.00 178.44 179.39 1rkx h GLU 116 N 0.94 0.93 -0.41 1.13 4.57 -0.92 -0.19 114.58 120.63 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 0.17 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1rkx h GLU 116 CO -0.02 0.86 0.23 0.00 -1.18 0.00 0.00 179.01 178.89 1rkx h ALA 117 N 1.04 0.53 -0.80 2.92 0.00 -0.81 -2.01 119.26 120.13 1rkx h ALA 117 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rkx h ALA 117 Cb 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1rkx h ALA 117 CO 0.00 0.05 0.45 0.82 0.00 0.00 0.00 179.25 180.57 1rkx h ILE 118 N 0.53 1.23 -0.53 0.00 2.04 -1.05 0.29 117.51 120.02 1rkx h ILE 118 Ca 0.14 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1rkx h ILE 118 Cb 0.05 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 1rkx h ILE 118 CO -0.02 0.25 0.29 -0.09 0.00 0.00 0.00 178.15 178.58 1rkx h ARG 119 N 1.10 0.55 0.17 2.37 2.43 -0.64 -2.24 114.38 118.12 1rkx h ARG 119 Ca 0.28 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 59.11 1rkx h ARG 119 Cb 0.01 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1rkx h ARG 119 CO -0.05 0.37 -1.47 0.45 -1.51 0.00 0.00 179.97 177.76 1rkx h HIS 120 N 0.57 0.65 -0.49 2.20 3.86 -1.05 -3.35 115.15 117.54 1rkx h HIS 120 Ca 0.23 -0.48 -0.09 0.00 -1.16 0.00 0.00 60.37 58.87 1rkx h HIS 120 Cb 0.10 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1rkx h HIS 120 CO -0.08 1.45 -0.05 0.28 0.86 0.00 0.00 177.93 180.38 1rkx h VAL 121 N 0.10 1.27 -0.96 2.45 2.07 -0.94 -3.49 116.25 116.74 1rkx h VAL 121 Ca -0.23 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 66.24 1rkx h VAL 121 Cb 2.06 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1rkx h VAL 121 CO 0.21 0.40 -0.26 0.61 0.02 0.00 0.00 177.57 178.56 1rkx n GLY 122 N -0.31 -2.12 2.59 2.17 0.00 -0.85 -4.94 105.19 101.73 1rkx n GLY 122 Ca 0.01 -1.39 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 -2.98 2.56 3.68 -0.02 0.00 -1.26 -4.91 105.19 102.26 1rkx n GLY 123 Ca -0.01 0.00 -0.42 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 -2.53 4.31 -0.11 1.61 1.01 -1.25 -4.56 120.40 118.88 1rkx s VAL 124 Ca 0.00 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1rkx s VAL 124 Cb 0.00 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.10 1rkx s VAL 124 CO 0.00 -0.04 0.39 0.29 0.00 0.00 0.00 175.10 175.74 1rkx n LYS 125 N 5.53 0.70 -4.00 2.72 4.76 0.81 -3.94 118.16 124.73 1rkx n LYS 125 Ca 0.11 0.24 -0.17 0.00 -2.87 0.00 0.00 58.31 55.63 1rkx n LYS 125 Cb 0.46 -1.70 -0.16 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.56 0.36 -0.11 7.82 0.00 -0.84 -1.15 121.76 125.27 1rkx s ALA 126 Ca -0.16 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.86 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 -0.02 -0.13 0.08 0.00 0.00 0.00 175.76 176.47 1rkx s VAL 127 N 0.68 1.35 -0.29 0.00 1.01 -0.45 -0.78 120.40 121.92 1rkx s VAL 127 Ca -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1rkx s VAL 127 Cb -0.10 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1rkx s VAL 127 CO -0.01 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 1rkx s VAL 128 N 1.20 2.41 -0.35 2.92 1.01 0.43 -0.97 120.40 127.06 1rkx s VAL 128 Ca -0.03 -1.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 1rkx s VAL 128 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1rkx s VAL 128 CO -0.04 -0.19 0.32 0.21 0.00 0.00 0.00 175.10 175.39 1rkx s ASN 129 N 1.13 6.13 -0.33 3.32 2.47 -0.13 -1.08 114.94 126.45 1rkx s ASN 129 Ca -0.03 -0.34 -0.28 0.00 0.42 0.00 0.00 52.86 52.62 1rkx s ASN 129 Cb -0.20 -2.17 0.02 0.00 -1.45 0.00 0.00 41.25 37.44 1rkx s ASN 129 CO -0.05 -0.31 1.05 -0.63 -3.72 0.00 0.00 177.10 173.44 1rkx s ILE 130 N 1.90 4.52 0.00 -5.21 1.09 -0.39 -1.22 121.20 121.88 1rkx s ILE 130 Ca 0.09 1.66 0.00 0.00 -1.10 0.00 0.00 60.65 61.30 1rkx s ILE 130 Cb -0.17 -4.40 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 1rkx s ILE 130 CO 0.11 -0.49 0.00 0.35 -0.10 0.00 0.00 174.94 174.82 1rkx n THR 131 N 5.89 0.00 -3.59 2.92 -2.24 -0.85 -4.79 114.28 111.62 1rkx n THR 131 Ca 0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1rkx n THR 131 Cb 0.47 0.00 -0.02 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 -0.56 -0.16 0.42 3.42 0.15 -1.26 -4.89 113.70 110.82 1rkx s SER 132 Ca 0.00 0.02 0.29 0.00 0.70 0.00 0.00 55.95 56.96 1rkx s SER 132 Cb 0.00 0.17 1.14 0.00 -1.71 0.00 0.00 66.02 65.61 1rkx s SER 132 CO 0.00 -0.26 1.85 -2.24 1.20 0.00 0.00 173.24 173.79 1rkx h ASP 133 N 2.03 0.00 -0.29 5.45 2.03 -1.78 -2.91 116.42 120.95 1rkx h ASP 133 Ca -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 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 0.24 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.74 1rkx n LYS 134 N -2.74 2.00 0.16 4.15 5.02 -1.26 -3.98 118.16 121.51 1rkx n LYS 134 Ca 0.02 -1.18 0.13 0.00 -2.02 0.00 0.00 58.31 55.26 1rkx n LYS 134 Cb 0.30 -1.42 0.44 0.00 -0.02 0.00 0.00 35.03 34.33 1rkx n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rkx s TYR 136 N -3.29 3.83 0.04 0.00 1.51 -1.26 -0.27 117.35 117.91 1rkx s TYR 136 Ca 0.06 1.82 -0.31 0.00 -1.01 0.00 0.00 57.07 57.63 1rkx s TYR 136 Cb 0.09 -3.09 -0.10 0.00 -0.11 0.00 0.00 41.96 38.75 1rkx s TYR 136 CO 0.54 0.08 1.92 -3.47 -1.11 0.00 0.00 175.55 173.51 1rkx n ASP 137 N 1.69 3.99 -4.61 2.29 2.03 0.10 -4.15 116.55 117.88 1rkx n ASP 137 Ca -0.01 0.94 -0.43 0.00 0.52 0.00 0.00 54.79 55.81 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 3.93 6.63 0.01 1.67 3.84 -1.26 -4.86 114.94 124.90 1rkx s ASN 138 Ca 0.88 0.79 0.26 0.00 0.21 0.00 0.00 52.86 55.00 1rkx s ASN 138 Cb -0.50 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.38 1rkx s ASN 138 CO 0.43 -1.19 1.58 0.29 -2.79 0.00 0.00 177.10 175.41 1rkx n LYS 139 N 7.62 0.03 -3.62 0.43 4.76 -1.26 -4.95 118.16 121.16 1rkx n LYS 139 Ca 0.13 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.38 1rkx n LYS 139 Cb 0.48 -1.52 0.05 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.56 -5.02 -4.40 1.97 1.02 -1.26 -5.00 120.64 106.39 1rkx n GLU 140 Ca 0.06 0.67 -0.28 0.00 -0.02 0.00 0.00 57.16 57.59 1rkx n GLU 140 Cb 0.35 -5.31 -0.06 0.00 -0.02 0.00 0.00 31.44 26.39 1rkx n GLU 140 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1rkx n TRP 141 N -4.19 0.80 0.66 -0.32 2.14 -1.26 -5.02 117.44 110.26 1rkx n TRP 141 Ca -0.28 -2.35 0.13 0.00 2.07 0.00 0.00 57.50 57.07 1rkx n TRP 141 Cb 0.67 -0.22 0.37 0.00 -0.81 0.00 0.00 31.31 31.32 1rkx n TRP 141 CO 0.00 0.00 0.00 0.44 2.07 0.00 0.00 177.69 180.20 1rkx n ILE 142 N -1.08 0.47 -3.20 -1.67 -5.35 -1.26 -4.34 119.36 102.94 1rkx n ILE 142 Ca -0.15 -0.25 -0.34 0.00 -0.27 0.00 0.00 62.75 61.74 1rkx n ILE 142 Cb 0.59 -0.45 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 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 -3.10 3.53 0.25 4.28 0.51 -1.26 -4.86 118.94 118.29 1rkx s TRP 143 Ca 0.10 1.21 -0.30 0.00 -2.12 0.00 0.00 56.10 55.00 1rkx s TRP 143 Cb 0.13 -2.50 -0.09 0.00 -0.81 0.00 0.00 33.47 30.20 1rkx s TRP 143 CO 0.62 0.28 1.08 0.20 -0.51 0.00 0.00 176.95 178.61 1rkx s GLY 144 N -1.92 3.02 0.36 0.98 0.00 -1.26 -4.63 107.32 103.87 1rkx s GLY 144 Ca 0.46 0.84 -0.26 0.00 0.00 0.00 0.00 44.72 45.75 1rkx s GLY 144 CO 0.20 1.49 1.10 -0.19 0.00 0.00 0.00 173.10 175.70 1rkx s TYR 145 N -0.94 3.29 0.08 1.90 1.51 -0.51 -4.17 117.35 118.51 1rkx s TYR 145 Ca 0.45 1.63 0.01 0.00 -1.01 0.00 0.00 57.07 58.15 1rkx s TYR 145 Cb -0.30 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.24 1rkx s TYR 145 CO 0.38 -0.84 0.19 1.03 -1.11 0.00 0.00 175.55 175.20 1rkx s ARG 146 N -2.12 3.30 0.65 -0.62 0.52 -1.26 -0.98 118.95 118.44 1rkx s ARG 146 Ca 0.54 -0.53 0.38 0.00 -0.52 0.00 0.00 55.73 55.60 1rkx s ARG 146 Cb -0.28 -2.95 2.09 0.00 0.52 0.00 0.00 34.95 34.33 1rkx s ARG 146 CO 0.35 0.59 2.22 0.93 0.02 0.00 0.00 175.30 179.41 1rkx h GLU 147 N 2.99 0.00 -0.23 3.54 3.07 -1.92 -2.07 114.58 119.96 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 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1rkx h GLU 147 CO 0.72 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.60 1rkx n ASN 148 N -3.20 1.70 -4.92 1.42 6.94 -1.26 -4.93 115.26 111.01 1rkx n ASN 148 Ca -0.02 -1.80 -0.26 0.00 -0.02 0.00 0.00 54.58 52.47 1rkx n ASN 148 Cb 0.18 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.70 3.34 0.37 -3.83 2.02 -0.78 -5.03 118.70 113.08 1rkx s GLU 149 Ca 0.29 -0.01 -0.27 0.00 0.02 0.00 0.00 54.97 54.99 1rkx s GLU 149 Cb 0.15 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.85 1rkx s GLU 149 CO 0.23 -0.26 1.30 0.00 0.02 0.00 0.00 175.26 176.54 1rkx n ALA 150 N -2.23 1.36 -2.29 5.21 0.00 -1.26 -4.92 120.51 116.38 1rkx n ALA 150 Ca 0.01 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 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 -1.98 3.75 0.00 0.00 -1.94 -1.26 -0.72 119.30 117.15 1rkx s MET 151 Ca 0.57 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 1rkx s MET 151 Cb -0.55 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1rkx s MET 151 CO 0.61 0.07 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 1rkx n GLY 152 N -1.05 -0.78 0.00 -0.03 0.00 0.63 -4.18 105.19 99.78 1rkx n GLY 152 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 4.17 0.15 -0.02 0.00 -1.26 -3.75 105.19 104.48 1rkx n GLY 153 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.27 -4.38 1.61 3.20 -1.90 -3.37 116.97 111.86 1rkx h TYR 154 Ca 0.00 -0.01 -0.51 0.00 3.14 0.00 0.00 58.73 61.36 1rkx h TYR 154 Cb 0.00 0.09 0.07 0.00 1.54 0.00 0.00 36.73 38.43 1rkx h TYR 154 CO 0.00 -0.17 0.41 0.16 -1.64 0.00 0.00 178.16 176.92 1rkx s ASP 155 N -4.95 5.98 0.30 -2.11 -4.77 -1.26 -4.82 116.67 105.03 1rkx s ASP 155 Ca -0.04 1.36 0.03 0.00 -3.30 0.00 0.00 52.55 50.60 1rkx s ASP 155 Cb 0.00 -2.34 0.63 0.00 -1.09 0.00 0.00 42.92 40.12 1rkx s ASP 155 CO 0.13 -1.02 1.83 -0.65 0.70 0.00 0.00 175.17 176.15 1rkx h PRO 156 N -0.43 0.89 0.60 2.11 0.11 -1.89 0.61 132.00 133.99 1rkx h PRO 156 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1rkx h PRO 156 Cb 1.21 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1rkx h PRO 156 CO 0.62 0.59 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.79 1rkx h TYR 157 N 0.91 -0.75 -0.44 0.65 3.20 -1.86 0.21 116.97 118.89 1rkx h TYR 157 Ca 0.51 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.42 1rkx h TYR 157 Cb 0.60 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 1rkx h TYR 157 CO -0.00 -0.42 0.16 0.77 -1.64 0.00 0.00 178.16 177.03 1rkx h SER 158 N -0.97 0.17 -0.56 -2.11 0.02 -1.77 -1.89 113.55 106.43 1rkx h SER 158 Ca -0.08 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1rkx h SER 158 Cb 0.67 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1rkx h SER 158 CO 0.14 0.13 0.16 -1.13 -1.14 0.00 0.00 176.83 174.98 1rkx h ASN 159 N 0.33 0.86 0.15 3.07 -0.73 -0.84 -1.63 115.58 116.79 1rkx h ASN 159 Ca 0.21 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 1rkx h ASN 159 Cb 0.20 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1rkx h ASN 159 CO -0.21 0.83 -0.19 0.77 -0.37 0.00 0.00 177.43 178.26 1rkx h SER 160 N 0.89 0.08 0.42 1.15 4.64 0.08 0.24 113.55 121.05 1rkx h SER 160 Ca 0.19 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.31 1rkx h SER 160 Cb 0.30 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1rkx h SER 160 CO -0.00 0.28 -0.80 0.11 -0.87 0.00 0.00 176.83 175.56 1rkx h LYS 161 N 0.08 0.29 -0.65 4.77 1.79 -0.67 -0.23 116.57 121.95 1rkx h LYS 161 Ca 0.01 -0.27 -0.08 0.00 -2.18 0.00 0.00 60.65 58.14 1rkx h LYS 161 Cb 0.40 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1rkx h LYS 161 CO 0.03 0.94 0.11 0.78 -1.08 0.00 0.00 179.45 180.23 1rkx h GLY 162 N 1.54 1.16 1.07 3.86 0.00 -0.47 -1.74 103.07 108.48 1rkx h GLY 162 Ca -0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 1rkx h GLY 162 CO 0.13 0.72 0.08 0.00 0.00 0.00 0.00 176.54 177.47 1rkx h ALA 164 N 1.03 1.63 -0.15 0.00 0.00 -0.67 0.89 119.26 121.99 1rkx h ALA 164 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rkx h ALA 164 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rkx h ALA 164 CO 0.02 0.34 0.01 0.93 0.00 0.00 0.00 179.25 180.55 1rkx h GLU 165 N 0.71 0.26 -0.30 0.00 4.39 -0.96 -1.30 114.58 117.38 1rkx h GLU 165 Ca 0.20 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1rkx h GLU 165 Cb -0.07 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1rkx h GLU 165 CO -0.04 0.45 0.14 -0.07 -1.16 0.00 0.00 179.01 178.33 1rkx h LEU 166 N 0.02 0.20 -0.37 1.33 4.07 -0.80 -0.99 115.31 118.77 1rkx h LEU 166 Ca 0.04 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1rkx h LEU 166 Cb 0.33 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.00 1rkx h LEU 166 CO 0.00 0.15 0.06 0.58 -1.08 0.00 0.00 178.44 178.15 1rkx h VAL 167 N 0.29 0.79 -0.74 1.22 2.07 -0.75 -0.66 116.25 118.47 1rkx h VAL 167 Ca 0.13 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1rkx h VAL 167 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1rkx h VAL 167 CO -0.10 0.03 0.36 0.74 0.02 0.00 0.00 177.57 178.63 1rkx h THR 168 N 0.17 1.24 -0.42 2.57 2.02 -0.92 -0.61 112.91 116.95 1rkx h THR 168 Ca 0.18 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1rkx h THR 168 Cb 0.22 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1rkx h THR 168 CO -0.25 0.28 0.28 -1.28 0.37 0.00 0.00 175.52 174.92 1rkx h SER 169 N 1.04 0.49 -0.35 4.18 0.87 -0.47 -1.05 113.55 118.26 1rkx h SER 169 Ca 0.26 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 1rkx h SER 169 Cb 0.11 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1rkx h SER 169 CO -0.03 0.36 -0.17 -1.28 -0.53 0.00 0.00 176.83 175.18 1rkx h SER 170 N 0.57 0.76 -0.80 6.23 0.87 -0.84 -1.29 113.55 119.05 1rkx h SER 170 Ca 0.15 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1rkx h SER 170 Cb -0.06 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 1rkx h SER 170 CO -0.03 1.00 0.44 1.88 -0.53 0.00 0.00 176.83 179.59 1rkx h TYR 171 N 0.52 1.09 -0.04 2.24 -1.99 -1.00 0.15 116.97 117.95 1rkx h TYR 171 Ca 0.08 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1rkx h TYR 171 Cb 0.71 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 1rkx h TYR 171 CO 0.06 0.76 0.02 -0.09 -0.00 0.00 0.00 178.16 178.90 1rkx h ARG 172 N 1.11 0.06 -0.74 4.88 2.43 -1.08 0.36 114.38 121.40 1rkx h ARG 172 Ca 0.28 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1rkx h ARG 172 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1rkx h ARG 172 CO -0.05 0.19 0.29 -0.91 -1.51 0.00 0.00 179.97 177.99 1rkx h ASN 173 N -0.08 1.01 0.23 -3.80 -0.26 -0.94 0.29 115.58 112.03 1rkx h ASN 173 Ca 0.01 -0.15 -0.35 0.00 -0.56 0.00 0.00 56.30 55.26 1rkx h ASN 173 Cb 0.15 -0.26 0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1rkx h ASN 173 CO -0.00 0.89 -1.72 0.28 -1.06 0.00 0.00 177.43 175.83 1rkx h SER 174 N 1.07 0.60 0.00 5.81 0.02 -0.62 -3.39 113.55 117.04 1rkx h SER 174 Ca 0.25 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1rkx h SER 174 Cb 0.20 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1rkx h SER 174 CO -0.02 1.74 -0.71 0.49 -1.14 0.00 0.00 176.83 177.19 1rkx n PHE 175 N -3.58 0.00 -2.47 3.45 3.01 0.12 -4.76 117.46 113.24 1rkx n PHE 175 Ca -0.23 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.08 1rkx n PHE 175 Cb 1.07 -0.00 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 2.12 -1.87 1.38 3.01 -0.36 -4.96 117.46 115.42 1rkx n PHE 176 Ca -0.00 -2.42 -0.42 0.00 1.01 0.00 0.00 57.45 55.62 1rkx n PHE 176 Cb 0.00 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.18 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 6.53 0.61 4.37 3.84 0.89 -4.70 114.94 122.90 1rkx s ASN 177 Ca 0.39 2.65 0.28 0.00 0.21 0.00 0.00 52.86 56.39 1rkx s ASN 177 Cb 0.39 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 39.95 1rkx s ASN 177 CO -0.02 -0.89 1.85 -0.65 -2.79 0.00 0.00 177.10 174.60 1rkx h PRO 178 N 7.37 0.00 0.00 0.43 0.11 -1.92 0.71 132.00 138.69 1rkx h PRO 178 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1rkx h PRO 178 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1rkx h PRO 178 CO 0.93 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.45 1rkx h ALA 179 N 1.34 1.51 -0.18 -0.75 0.00 -1.97 -3.00 119.26 116.21 1rkx h ALA 179 Ca 0.15 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1rkx h ALA 179 Cb 1.12 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 1rkx h ALA 179 CO -0.00 0.34 -0.67 0.27 0.00 0.00 0.00 179.25 179.18 1rkx n ASN 180 N -4.15 2.28 -0.08 0.00 2.04 0.21 -4.75 115.26 110.81 1rkx n ASN 180 Ca -0.02 -3.52 0.14 0.00 -0.44 0.00 0.00 54.58 50.75 1rkx n ASN 180 Cb 0.32 -0.46 0.54 0.00 -2.53 0.00 0.00 39.78 37.66 1rkx n ASN 180 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1rkx h TYR 181 N 1.32 0.35 0.00 -2.53 3.20 -1.33 0.22 116.97 118.21 1rkx h TYR 181 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1rkx h TYR 181 Cb 1.25 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1rkx h TYR 181 CO 0.68 0.16 0.00 0.78 -1.64 0.00 0.00 178.16 178.14 1rkx h GLY 182 N 0.32 0.00 0.00 1.82 0.00 -1.85 0.37 103.07 103.73 1rkx h GLY 182 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1rkx h GLY 182 CO -0.07 0.00 -0.18 -1.06 0.00 0.00 0.00 176.54 175.23 1rkx n GLN 183 N -2.34 0.12 0.07 4.80 6.02 0.77 -4.70 117.38 122.13 1rkx n GLN 183 Ca -0.01 0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1rkx n GLN 183 Cb 0.07 -0.86 0.01 0.00 1.02 0.00 0.00 30.24 30.48 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 -0.25 0.47 -0.56 1.08 2.07 -1.55 -3.48 115.15 112.94 1rkx h HIS 184 Ca 0.00 -0.23 -0.24 0.00 -2.85 0.00 0.00 60.37 57.05 1rkx h HIS 184 Cb 0.18 -0.06 -0.10 0.00 2.57 0.00 0.00 27.41 30.00 1rkx h HIS 184 CO -0.08 1.01 -0.22 0.41 -3.07 0.00 0.00 177.93 175.98 1rkx n GLY 185 N 0.71 1.28 3.43 6.13 0.00 0.13 -4.69 105.19 112.18 1rkx n GLY 185 Ca -0.04 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.42 4.04 -0.36 2.61 2.01 -1.25 -4.30 115.64 115.97 1rkx s THR 186 Ca 0.00 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1rkx s THR 186 Cb 0.00 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1rkx s THR 186 CO 0.00 0.39 0.19 0.00 -0.69 0.00 0.00 174.62 174.51 1rkx s ALA 187 N 1.31 3.26 -0.17 7.40 0.00 -0.30 -4.86 121.76 128.40 1rkx s ALA 187 Ca 0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 1rkx s ALA 187 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1rkx s ALA 187 CO 0.02 -1.27 -0.02 0.08 0.00 0.00 0.00 175.76 174.57 1rkx s VAL 188 N 1.56 4.03 0.16 0.00 1.01 -1.26 -1.34 120.40 124.56 1rkx s VAL 188 Ca 0.02 -0.30 0.01 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 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.65 1rkx s ALA 189 N 0.47 1.24 0.11 5.51 0.00 -0.14 -3.63 121.76 125.32 1rkx s ALA 189 Ca -0.02 -1.55 0.10 0.00 0.00 0.00 0.00 51.96 50.48 1rkx s ALA 189 Cb -0.14 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1rkx s ALA 189 CO 0.02 -0.35 -0.25 0.95 0.00 0.00 0.00 175.76 176.14 1rkx s THR 190 N -3.73 2.08 -0.05 0.00 -4.23 -0.71 -0.95 115.64 108.05 1rkx s THR 190 Ca 0.23 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1rkx s THR 190 Cb 0.06 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1rkx s THR 190 CO 0.03 0.08 -0.15 0.68 -0.54 0.00 0.00 174.62 174.71 1rkx s VAL 191 N -1.06 1.32 -0.19 2.29 -7.23 -0.36 -0.98 120.40 114.20 1rkx s VAL 191 Ca 0.11 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1rkx s VAL 191 Cb -0.10 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.70 1rkx s VAL 191 CO 0.05 0.39 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.93 1rkx s ARG 192 N 0.24 3.05 0.10 4.82 0.52 0.10 -2.01 118.95 125.78 1rkx s ARG 192 Ca -0.08 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 1rkx s ARG 192 Cb -0.13 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.73 1rkx s ARG 192 CO 0.03 -0.22 0.53 0.00 0.02 0.00 0.00 175.30 175.66 1rkx s ALA 193 N 1.33 -1.35 0.17 2.13 0.00 -1.26 -0.96 121.76 121.81 1rkx s ALA 193 Ca 0.05 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 1rkx s ALA 193 Cb -0.13 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1rkx s ALA 193 CO -0.11 -0.61 0.28 0.41 0.00 0.00 0.00 175.76 175.72 1rkx n GLY 194 N 0.04 2.27 3.88 0.00 0.00 -1.26 -2.57 105.19 107.55 1rkx n GLY 194 Ca -0.17 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.68 -2.19 -4.72 1.61 3.02 -1.26 -4.69 115.26 105.35 1rkx n ASN 195 Ca -0.01 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.26 1rkx n ASN 195 Cb 0.27 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.78 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 -3.60 4.99 0.13 2.41 1.01 -1.26 -2.02 120.40 122.06 1rkx s VAL 196 Ca 0.27 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1rkx s VAL 196 Cb -0.14 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1rkx s VAL 196 CO 0.85 0.25 -0.11 0.27 0.00 0.00 0.00 175.10 176.35 1rkx s ILE 197 N 0.76 1.17 0.00 2.22 -4.36 -0.35 -4.89 121.20 115.75 1rkx s ILE 197 Ca 0.40 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1rkx s ILE 197 Cb -0.18 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.91 1rkx s ILE 197 CO 0.20 -0.59 0.00 0.61 0.24 0.00 0.00 174.94 175.40 1rkx n GLY 198 N 0.23 0.87 3.77 6.27 0.00 -1.26 -0.13 105.19 114.93 1rkx n GLY 198 Ca -0.13 -1.04 -0.38 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 2.84 0.00 -0.02 0.00 -1.26 -3.55 107.32 105.33 1rkx s GLY 199 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1rkx s GLY 199 CO 0.00 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1rkx n GLY 200 N 0.57 0.76 3.45 0.20 0.00 -1.26 -5.04 105.19 103.86 1rkx n GLY 200 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 5.87 -0.34 1.61 2.15 -1.23 -3.67 116.67 118.58 1rkx s ASP 201 Ca 0.00 -0.73 0.07 0.00 0.43 0.00 0.00 52.55 52.32 1rkx s ASP 201 Cb 0.00 -2.08 0.54 0.00 -0.30 0.00 0.00 42.92 41.07 1rkx s ASP 201 CO 0.00 -0.33 1.57 0.79 -0.17 0.00 0.00 175.17 177.04 1rkx n TRP 202 N 5.06 1.68 -2.04 -5.34 8.01 -1.26 -4.69 117.44 118.85 1rkx n TRP 202 Ca -0.12 -1.77 -0.38 0.00 -1.31 0.00 0.00 57.50 53.92 1rkx n TRP 202 Cb 0.48 -0.63 0.01 0.00 -2.01 0.00 0.00 31.31 29.16 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 -3.31 2.93 0.59 6.99 0.00 -1.26 -4.85 121.76 122.84 1rkx s ALA 203 Ca 0.48 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 1rkx s ALA 203 Cb 0.43 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1rkx s ALA 203 CO 0.02 -0.97 1.02 -0.51 0.00 0.00 0.00 175.76 175.31 1rkx s LEU 204 N -3.20 3.36 -1.40 0.00 1.43 -1.26 -4.22 118.68 113.39 1rkx s LEU 204 Ca 0.67 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1rkx s LEU 204 Cb -0.34 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.40 1rkx s LEU 204 CO 0.41 -0.79 0.41 0.47 0.23 0.00 0.00 176.35 177.09 1rkx n ASP 205 N -2.38 -0.52 -4.07 2.29 10.43 -1.26 -4.97 116.55 116.07 1rkx n ASP 205 Ca 0.06 -1.03 -0.27 0.00 2.57 0.00 0.00 54.79 56.12 1rkx n ASP 205 Cb 0.54 -2.95 -0.17 0.00 1.84 0.00 0.00 41.12 40.38 1rkx n ASP 205 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1rkx s ARG 206 N -6.59 2.13 0.15 -1.24 6.06 -1.26 -5.06 118.95 113.14 1rkx s ARG 206 Ca 0.03 -0.55 -0.28 0.00 -2.50 0.00 0.00 55.73 52.43 1rkx s ARG 206 Cb -0.01 -1.74 -0.02 0.00 0.06 0.00 0.00 34.95 33.23 1rkx s ARG 206 CO 0.90 0.02 1.57 0.97 -2.50 0.00 0.00 175.30 176.26 1rkx h ILE 207 N 5.92 0.09 -0.16 4.11 6.09 -1.95 0.12 117.51 131.72 1rkx h ILE 207 Ca -0.28 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.19 1rkx h ILE 207 Cb 1.19 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1rkx h ILE 207 CO 0.48 0.00 0.06 0.58 -3.07 0.00 0.00 178.15 176.19 1rkx h VAL 208 N -0.35 1.17 -0.60 2.19 2.07 -1.99 -1.39 116.25 117.35 1rkx h VAL 208 Ca 0.12 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1rkx h VAL 208 Cb 0.59 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1rkx h VAL 208 CO -0.57 0.16 0.34 -0.65 0.02 0.00 0.00 177.57 176.87 1rkx h PRO 209 N 0.09 0.81 -0.32 1.57 0.11 -1.78 -2.26 132.00 130.22 1rkx h PRO 209 Ca 0.05 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 1rkx h PRO 209 Cb 0.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1rkx h PRO 209 CO -0.00 0.59 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.67 1rkx h ASP 210 N 0.83 0.65 -0.34 -2.05 3.32 -0.77 -0.54 116.42 117.52 1rkx h ASP 210 Ca 0.21 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1rkx h ASP 210 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1rkx h ASP 210 CO -0.04 0.89 0.19 0.40 -1.72 0.00 0.00 179.24 178.97 1rkx h ILE 211 N 0.56 1.14 -0.28 0.35 2.04 -0.71 -1.51 117.51 119.09 1rkx h ILE 211 Ca 0.07 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1rkx h ILE 211 Cb 0.74 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1rkx h ILE 211 CO 0.06 0.14 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 1rkx h LEU 212 N 0.43 0.45 -0.87 1.44 3.38 -1.24 -0.55 115.31 118.35 1rkx h LEU 212 Ca 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1rkx h LEU 212 Cb 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1rkx h LEU 212 CO -0.02 0.60 0.44 0.03 0.09 0.00 0.00 178.44 179.58 1rkx h ARG 213 N 0.44 1.24 -0.00 1.13 3.08 -0.53 0.20 114.38 119.94 1rkx h ARG 213 Ca 0.08 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1rkx h ARG 213 Cb 0.46 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1rkx h ARG 213 CO 0.03 0.94 -0.00 0.00 -1.07 0.00 0.00 179.97 179.86 1rkx h ALA 214 N 1.24 0.00 -0.63 0.04 0.00 -0.72 -3.04 119.26 116.16 1rkx h ALA 214 Ca 0.30 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1rkx h ALA 214 Cb 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1rkx h ALA 214 CO -0.04 -0.25 0.30 0.74 0.00 0.00 0.00 179.25 180.00 1rkx h PHE 215 N -0.47 0.55 0.00 0.00 0.05 -0.95 -0.66 116.94 115.46 1rkx h PHE 215 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1rkx h PHE 215 Cb 0.48 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.28 1rkx h PHE 215 CO 0.09 0.22 0.00 1.05 -0.18 0.00 0.00 178.31 179.49 1rkx h GLU 216 N 0.55 0.00 -0.18 1.51 4.11 -0.97 -0.37 114.58 119.22 1rkx h GLU 216 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1rkx h GLU 216 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1rkx h GLU 216 CO -0.23 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.89 1rkx n GLN 217 N -2.92 1.94 -2.69 1.06 6.02 -0.37 -4.96 117.38 115.46 1rkx n GLN 217 Ca -0.01 -1.85 -0.21 0.00 -0.01 0.00 0.00 57.00 54.91 1rkx n GLN 217 Cb 0.16 -1.39 0.01 0.00 1.02 0.00 0.00 30.24 30.04 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 1.10 -5.91 -4.48 1.08 7.64 -0.15 -4.99 113.62 107.91 1rkx n SER 218 Ca 0.13 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1rkx n SER 218 Cb 0.49 -4.86 -0.12 0.00 -1.01 0.00 0.00 64.21 58.71 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 -5.35 2.15 0.42 1.43 -1.52 -0.58 -4.96 119.66 111.25 1rkx s GLN 219 Ca 0.14 -0.94 -0.26 0.00 -1.95 0.00 0.00 55.36 52.35 1rkx s GLN 219 Cb -0.06 -2.24 -0.09 0.00 -0.22 0.00 0.00 33.01 30.40 1rkx s GLN 219 CO 0.17 0.55 1.36 -2.14 -0.25 0.00 0.00 175.29 174.98 1rkx s PRO 220 N -1.46 3.88 -0.11 2.91 0.02 -1.26 -4.04 135.00 134.94 1rkx s PRO 220 Ca 0.15 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 1rkx s PRO 220 Cb -0.11 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 1rkx s PRO 220 CO 0.06 -0.61 0.49 0.54 -0.33 0.00 0.00 177.00 177.14 1rkx s VAL 221 N -1.23 5.17 -0.38 3.83 0.11 -0.66 -4.84 120.40 122.41 1rkx s VAL 221 Ca 0.58 0.97 -0.21 0.00 -2.93 0.00 0.00 61.98 60.40 1rkx s VAL 221 Cb -0.41 -3.82 0.01 0.00 -1.53 0.00 0.00 36.38 30.63 1rkx s VAL 221 CO 0.53 0.33 0.64 -0.63 -3.33 0.00 0.00 175.10 172.64 1rkx s ILE 222 N 0.57 4.87 -0.26 7.04 1.01 -1.26 -0.44 121.20 132.73 1rkx s ILE 222 Ca 0.26 0.46 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 1rkx s ILE 222 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1rkx s ILE 222 CO 0.11 -0.39 0.48 -0.63 0.00 0.00 0.00 174.94 174.50 1rkx s ILE 223 N 2.75 5.10 -0.40 2.92 -1.09 0.36 -4.95 121.20 125.88 1rkx s ILE 223 Ca 0.24 0.79 0.21 0.00 -2.23 0.00 0.00 60.65 59.66 1rkx s ILE 223 Cb -0.14 -3.79 -0.29 0.00 -1.58 0.00 0.00 42.46 36.65 1rkx s ILE 223 CO 0.16 0.10 0.63 0.54 -1.23 0.00 0.00 174.94 175.14 1rkx n ARG 224 N 5.49 0.45 -3.15 2.79 1.74 -1.26 -4.58 116.66 118.14 1rkx n ARG 224 Ca -0.05 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.70 1rkx n ARG 224 Cb 0.50 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1rkx n ARG 224 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1rkx n ASN 225 N -1.95 1.63 -0.07 0.55 0.23 -1.26 -4.97 115.26 109.43 1rkx n ASN 225 Ca -0.01 -3.13 0.24 0.00 -0.53 0.00 0.00 54.58 51.16 1rkx n ASN 225 Cb 0.47 -0.61 0.72 0.00 -2.08 0.00 0.00 39.78 38.27 1rkx n ASN 225 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1rkx h PRO 226 N 3.19 0.00 -0.03 -0.53 0.13 -1.95 -2.07 132.00 130.75 1rkx h PRO 226 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1rkx h PRO 226 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1rkx h PRO 226 CO 0.58 0.00 -0.12 0.72 -0.23 0.00 0.00 178.00 178.95 1rkx n HIS 227 N -4.19 0.00 -1.94 1.56 8.25 -1.26 -1.45 115.22 116.18 1rkx n HIS 227 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 1rkx n HIS 227 Cb 0.79 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.87 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 -2.12 3.71 -0.08 -1.41 0.00 -0.78 -4.75 121.76 116.33 1rkx s ALA 228 Ca 0.26 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1rkx s ALA 228 Cb 0.20 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1rkx s ALA 228 CO 0.37 -0.79 -0.18 0.42 0.00 0.00 0.00 175.76 175.58 1rkx s ILE 229 N 0.51 2.67 0.01 0.00 1.01 -1.26 -1.67 121.20 122.46 1rkx s ILE 229 Ca 0.65 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1rkx s ILE 229 Cb -0.44 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1rkx s ILE 229 CO 0.38 0.56 -0.01 -0.13 0.00 0.00 0.00 174.94 175.74 1rkx s ARG 230 N -0.11 0.10 -1.14 2.79 1.81 -1.26 -4.83 118.95 116.32 1rkx s ARG 230 Ca -0.03 -0.17 -0.19 0.00 -1.72 0.00 0.00 55.73 53.62 1rkx s ARG 230 Cb -0.14 0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 1rkx s ARG 230 CO 0.04 -0.01 2.02 -0.35 -0.68 0.00 0.00 175.30 176.32 1rkx n PRO 231 N 2.68 2.23 -1.93 3.54 -0.04 -1.26 -4.54 135.00 135.67 1rkx n PRO 231 Ca -0.15 -2.38 -0.39 0.00 -0.04 0.00 0.00 63.50 60.54 1rkx n PRO 231 Cb 0.59 -3.22 0.01 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.92 2.57 -0.13 0.54 0.52 -1.26 -4.62 118.94 121.47 1rkx s TRP 232 Ca 0.54 1.38 -0.16 0.00 0.02 0.00 0.00 56.10 57.88 1rkx s TRP 232 Cb 0.11 -3.73 0.04 0.00 -1.15 0.00 0.00 33.47 28.74 1rkx s TRP 232 CO 0.04 -2.48 0.43 1.14 0.02 0.00 0.00 176.95 176.10 1rkx s GLN 233 N -2.57 0.57 0.42 4.98 -2.07 -0.86 -4.74 119.66 115.40 1rkx s GLN 233 Ca 0.63 0.46 -0.26 0.00 -1.82 0.00 0.00 55.36 54.37 1rkx s GLN 233 Cb -0.39 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 31.72 1rkx s GLN 233 CO 0.48 -0.10 1.38 -1.58 -1.32 0.00 0.00 175.29 174.16 1rkx s HIS 234 N -0.11 2.62 0.49 9.60 5.65 -1.26 -1.21 115.29 131.07 1rkx s HIS 234 Ca -0.03 1.31 0.25 0.00 0.25 0.00 0.00 55.06 56.85 1rkx s HIS 234 Cb -0.03 -3.83 1.31 0.00 -1.18 0.00 0.00 32.58 28.85 1rkx s HIS 234 CO 0.02 -2.60 1.88 -0.24 -0.65 0.00 0.00 174.74 173.15 1rkx h VAL 235 N 2.43 0.61 0.00 0.89 3.04 -0.88 -0.08 116.25 122.27 1rkx h VAL 235 Ca -0.50 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1rkx h VAL 235 Cb 1.26 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1rkx h VAL 235 CO 0.62 0.03 0.00 -0.07 -1.01 0.00 0.00 177.57 177.14 1rkx h LEU 236 N 0.17 0.00 0.81 3.16 3.38 -1.89 -3.08 115.31 117.87 1rkx h LEU 236 Ca 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 1rkx h LEU 236 Cb 1.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.21 1rkx h LEU 236 CO -0.08 0.00 -0.39 -0.33 0.09 0.00 0.00 178.44 177.73 1rkx h GLU 237 N 0.00 -1.05 -0.29 1.13 4.39 -1.35 -0.20 114.58 117.21 1rkx h GLU 237 Ca 0.00 0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1rkx h GLU 237 Cb 0.51 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1rkx h GLU 237 CO 0.00 -0.70 -0.15 -1.00 -1.16 0.00 0.00 179.01 176.00 1rkx h PRO 238 N -1.29 0.50 -0.79 2.33 0.13 -1.71 -2.55 132.00 128.62 1rkx h PRO 238 Ca -0.11 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1rkx h PRO 238 Cb 0.84 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 1rkx h PRO 238 CO 0.18 0.64 0.52 -0.07 -0.23 0.00 0.00 178.00 179.05 1rkx h LEU 239 N 0.46 0.91 -1.14 1.56 4.07 -1.50 0.34 115.31 120.00 1rkx h LEU 239 Ca 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1rkx h LEU 239 Cb 0.53 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1rkx h LEU 239 CO 0.03 0.65 0.20 0.77 -1.08 0.00 0.00 178.44 179.02 1rkx h SER 240 N 1.07 0.74 -0.56 -0.43 4.64 -0.61 -0.85 113.55 117.55 1rkx h SER 240 Ca 0.29 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1rkx h SER 240 Cb -0.12 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 1rkx h SER 240 CO -0.06 0.68 -0.04 1.23 -0.87 0.00 0.00 176.83 177.77 1rkx h GLY 241 N 0.93 1.10 1.00 -0.77 0.00 -0.84 -1.16 103.07 103.33 1rkx h GLY 241 Ca 0.19 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1rkx h GLY 241 CO -0.01 0.77 0.35 -0.97 0.00 0.00 0.00 176.54 176.67 1rkx h TYR 242 N 0.90 0.89 -0.33 5.60 0.99 -0.22 -0.49 116.97 124.31 1rkx h TYR 242 Ca 0.15 -0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1rkx h TYR 242 Cb 0.59 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 38.03 1rkx h TYR 242 CO 0.04 0.65 0.01 -0.07 -0.00 0.00 0.00 178.16 178.79 1rkx h LEU 243 N 0.88 0.56 -0.57 3.88 3.38 -1.03 -0.62 115.31 121.79 1rkx h LEU 243 Ca 0.23 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rkx h LEU 243 Cb 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1rkx h LEU 243 CO -0.03 0.72 0.37 0.25 0.09 0.00 0.00 178.44 179.84 1rkx h LEU 244 N 0.38 0.66 -0.47 1.67 5.85 -0.99 -1.59 115.31 120.81 1rkx h LEU 244 Ca 0.09 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1rkx h LEU 244 Cb 0.43 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1rkx h LEU 244 CO 0.02 0.48 0.16 0.25 -0.34 0.00 0.00 178.44 179.01 1rkx h LEU 245 N 0.77 0.68 -0.88 2.25 5.85 -0.96 -2.48 115.31 120.53 1rkx h LEU 245 Ca 0.21 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1rkx h LEU 245 Cb -0.08 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1rkx h LEU 245 CO -0.04 0.69 0.55 0.00 -0.34 0.00 0.00 178.44 179.30 1rkx h ALA 246 N 1.02 1.22 -0.09 1.25 0.00 -0.72 0.60 119.26 122.53 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 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rkx h ALA 246 CO -0.01 0.30 0.06 1.96 0.00 0.00 0.00 179.25 181.56 1rkx h GLN 247 N 1.00 0.12 -0.72 0.00 4.20 -1.01 -1.05 115.11 117.66 1rkx h GLN 247 Ca 0.39 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 1rkx h GLN 247 Cb 0.18 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1rkx h GLN 247 CO -0.18 0.11 0.29 0.87 -0.67 0.00 0.00 178.83 179.25 1rkx h LYS 248 N 0.11 1.07 -0.82 1.46 1.79 -0.97 0.33 116.57 119.55 1rkx h LYS 248 Ca 0.03 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1rkx h LYS 248 Cb 0.01 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.45 1rkx h LYS 248 CO -0.01 0.88 0.37 -0.07 -1.08 0.00 0.00 179.45 179.54 1rkx h LEU 249 N 1.03 1.09 0.28 2.94 3.38 -0.72 0.40 115.31 123.70 1rkx h LEU 249 Ca 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rkx h LEU 249 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rkx h LEU 249 CO -0.02 0.94 -0.13 0.22 0.09 0.00 0.00 178.44 179.53 1rkx h TYR 250 N 1.17 -0.34 0.13 1.13 3.20 -0.77 -2.36 116.97 119.13 1rkx h TYR 250 Ca 0.28 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.93 1rkx h TYR 250 Cb 0.15 0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.56 1rkx h TYR 250 CO 0.02 0.01 -0.91 1.79 -1.64 0.00 0.00 178.16 177.42 1rkx h THR 251 N -0.78 1.44 0.06 1.81 1.35 -0.91 -3.39 112.91 112.49 1rkx h THR 251 Ca -0.04 -2.47 -0.34 0.00 -0.55 0.00 0.00 66.41 63.02 1rkx h THR 251 Cb 0.51 3.02 -0.04 0.00 -1.73 0.00 0.00 68.15 69.91 1rkx h THR 251 CO 0.06 0.71 -1.94 0.47 -0.25 0.00 0.00 175.52 174.57 1rkx n ASP 252 N -4.05 1.51 0.00 5.36 8.00 0.13 -5.07 116.55 122.43 1rkx n ASP 252 Ca -0.14 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1rkx n ASP 252 Cb 0.85 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.83 0.07 0.35 0.44 0.00 -0.83 -4.60 105.19 102.44 1rkx n GLY 253 Ca -0.27 -1.87 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 1.51 -0.50 4.61 0.00 -1.90 -2.29 119.26 120.69 1rkx h ALA 254 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.05 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 -0.37 0.42 1.49 0.00 0.00 0.00 179.25 180.80 1rkx h GLU 255 N 0.00 0.00 -0.31 0.00 4.81 -1.95 -0.39 114.58 116.75 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 -4.06 0.41 -1.88 0.92 4.02 -0.86 -4.82 117.16 110.89 1rkx n TYR 256 Ca 0.09 -0.31 -0.42 0.00 -0.01 0.00 0.00 57.90 57.26 1rkx n TYR 256 Cb 0.63 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.93 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 4.65 -3.00 -0.72 0.00 -0.16 -4.74 120.51 117.47 1rkx n ALA 257 Ca 0.14 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1rkx n ALA 257 Cb 0.46 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 6.85 0.00 -3.68 0.00 1.02 -1.24 -4.81 120.64 118.78 1rkx n GLU 258 Ca 0.51 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.31 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 2.28 -0.02 0.62 0.00 -1.26 -1.73 107.32 106.73 1rkx s GLY 259 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1rkx s GLY 259 CO 0.00 -0.32 0.00 -0.98 0.00 0.00 0.00 173.10 171.80 1rkx s TRP 260 N -1.39 0.25 0.03 1.90 0.52 -0.15 -4.94 118.94 115.16 1rkx s TRP 260 Ca 0.32 0.02 -0.17 0.00 0.02 0.00 0.00 56.10 56.28 1rkx s TRP 260 Cb -0.13 -0.34 -0.06 0.00 -1.15 0.00 0.00 33.47 31.79 1rkx s TRP 260 CO 0.18 -0.10 0.49 -0.80 0.02 0.00 0.00 176.95 176.74 1rkx s ASN 261 N 0.88 6.92 -0.05 2.95 0.02 -1.26 0.03 114.94 124.44 1rkx s ASN 261 Ca -0.09 1.10 0.00 0.00 -1.02 0.00 0.00 52.86 52.85 1rkx s ASN 261 Cb -0.12 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.87 1rkx s ASN 261 CO -0.02 0.28 -0.02 -0.36 0.02 0.00 0.00 177.10 177.00 1rkx s PHE 262 N -0.96 0.65 0.19 2.20 0.40 -0.13 -4.54 117.98 115.79 1rkx s PHE 262 Ca 0.26 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.20 1rkx s PHE 262 Cb -0.18 -0.66 0.06 0.00 0.51 0.00 0.00 43.02 42.75 1rkx s PHE 262 CO 0.16 -0.22 0.96 0.20 0.70 0.00 0.00 175.22 177.02 1rkx s GLY 263 N 1.25 -0.07 0.72 4.36 0.00 -1.26 -4.35 107.32 107.96 1rkx s GLY 263 Ca -0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 1rkx s GLY 263 CO -0.02 0.67 1.09 2.56 0.00 0.00 0.00 173.10 177.41 1rkx s PRO 264 N -2.90 2.64 0.28 2.90 0.04 -1.26 -4.78 135.00 131.93 1rkx s PRO 264 Ca 0.15 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 1rkx s PRO 264 Cb -0.02 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1rkx s PRO 264 CO 0.04 -1.14 1.14 -0.80 0.04 0.00 0.00 177.00 176.29 1rkx s ASN 265 N -4.41 7.18 0.56 6.66 0.01 -1.26 -4.91 114.94 118.77 1rkx s ASN 265 Ca 0.59 2.34 0.24 0.00 -0.71 0.00 0.00 52.86 55.31 1rkx s ASN 265 Cb -0.11 -2.63 1.59 0.00 0.41 0.00 0.00 41.25 40.51 1rkx s ASN 265 CO 0.50 -0.22 2.21 -0.78 -1.51 0.00 0.00 177.10 177.30 1rkx h ASP 266 N 3.84 0.00 0.36 -1.22 -0.00 -1.95 -0.16 116.42 117.29 1rkx h ASP 266 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 1rkx h ASP 266 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1rkx h ASP 266 CO 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.91 1rkx n ALA 267 N -2.41 1.43 1.10 -0.78 0.00 -1.26 -1.16 120.51 117.43 1rkx n ALA 267 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1rkx n ALA 267 Cb 0.09 -1.20 0.26 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.69 0.84 -4.67 0.00 2.03 -0.07 -4.95 116.55 108.04 1rkx n ASP 268 Ca 0.02 -0.64 -0.50 0.00 0.52 0.00 0.00 54.79 54.19 1rkx n ASP 268 Cb 0.12 0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.07 0.60 -2.88 -1.67 0.00 -0.31 -4.80 120.51 110.39 1rkx n ALA 269 Ca 0.08 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 1rkx n ALA 269 Cb 0.35 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.28 1rkx n ALA 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rkx s THR 270 N 2.82 0.42 0.56 0.00 2.01 -1.26 -5.07 115.64 115.11 1rkx s THR 270 Ca 0.89 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 1rkx s THR 270 Cb -0.79 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1rkx s THR 270 CO 0.50 0.13 1.02 -2.16 -0.69 0.00 0.00 174.62 173.43 1rkx s PRO 271 N 0.02 3.61 0.47 4.92 0.04 -1.26 -4.18 135.00 138.63 1rkx s PRO 271 Ca 0.00 1.09 0.19 0.00 0.04 0.00 0.00 61.00 62.32 1rkx s PRO 271 Cb -0.04 -2.08 1.19 0.00 0.04 0.00 0.00 34.50 33.61 1rkx s PRO 271 CO -0.00 -0.56 1.97 -0.39 0.04 0.00 0.00 177.00 178.06 1rkx h VAL 272 N 0.66 0.80 -0.19 -0.36 -1.51 -1.32 -2.03 116.25 112.29 1rkx h VAL 272 Ca -0.47 -0.08 0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1rkx h VAL 272 Cb 1.20 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 1rkx h VAL 272 CO 0.59 0.04 -0.02 0.50 -1.23 0.00 0.00 177.57 177.46 1rkx h LYS 273 N 0.24 0.04 -0.17 5.19 3.64 -1.53 0.24 116.57 124.22 1rkx h LYS 273 Ca 0.30 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1rkx h LYS 273 Cb 0.84 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1rkx h LYS 273 CO -0.06 0.02 -0.26 -0.97 -2.27 0.00 0.00 179.45 175.91 1rkx h ASN 274 N 0.04 0.32 0.08 4.20 -0.00 -1.65 -1.48 115.58 117.09 1rkx h ASN 274 Ca 0.09 -0.10 -0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1rkx h ASN 274 Cb 0.12 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1rkx h ASN 274 CO -0.17 0.59 -0.04 0.40 -0.00 0.00 0.00 177.43 178.21 1rkx h ILE 275 N 0.29 1.05 -0.84 2.57 2.04 -0.82 -0.89 117.51 120.90 1rkx h ILE 275 Ca 0.04 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1rkx h ILE 275 Cb 0.62 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1rkx h ILE 275 CO 0.04 0.11 0.55 0.58 0.00 0.00 0.00 178.15 179.43 1rkx h VAL 276 N -0.31 1.17 0.17 1.67 2.07 -0.39 -1.14 116.25 119.50 1rkx h VAL 276 Ca -0.01 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rkx h VAL 276 Cb 0.26 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1rkx h VAL 276 CO 0.02 0.20 -0.10 -0.33 0.02 0.00 0.00 177.57 177.38 1rkx h GLU 277 N 1.10 -0.25 -0.72 1.57 5.08 -1.07 0.15 114.58 120.43 1rkx h GLU 277 Ca 0.32 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1rkx h GLU 277 Cb -0.06 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1rkx h GLU 277 CO -0.09 -0.17 0.45 1.96 -1.00 0.00 0.00 179.01 180.16 1rkx h GLN 278 N -0.26 0.86 -0.45 2.33 4.20 -0.90 -1.39 115.11 119.50 1rkx h GLN 278 Ca -0.02 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1rkx h GLN 278 Cb 0.22 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1rkx h GLN 278 CO 0.02 0.57 -0.05 0.52 -0.67 0.00 0.00 178.83 179.22 1rkx h MET 279 N 0.89 0.76 -0.74 1.46 2.86 -0.93 -0.35 114.93 118.88 1rkx h MET 279 Ca 0.29 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1rkx h MET 279 Cb 0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1rkx h MET 279 CO -0.11 0.80 0.31 0.28 1.06 0.00 0.00 176.91 179.25 1rkx h VAL 280 N 0.70 1.25 -0.34 -2.22 2.07 -0.03 -1.14 116.25 116.54 1rkx h VAL 280 Ca 0.13 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1rkx h VAL 280 Cb 0.50 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1rkx h VAL 280 CO 0.03 0.31 0.07 0.11 0.02 0.00 0.00 177.57 178.11 1rkx h LYS 281 N 1.06 0.56 -0.54 1.57 1.57 -0.75 -1.38 116.57 118.67 1rkx h LYS 281 Ca 0.25 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1rkx h LYS 281 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1rkx h LYS 281 CO -0.02 0.63 -0.01 1.88 -0.57 0.00 0.00 179.45 181.36 1rkx h TYR 282 N 0.40 0.99 -0.07 -1.35 0.99 -0.87 -3.20 116.97 113.86 1rkx h TYR 282 Ca 0.11 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 1rkx h TYR 282 Cb 0.33 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.80 1rkx h TYR 282 CO 0.02 0.90 -0.14 2.35 -0.00 0.00 0.00 178.16 181.28 1rkx h TRP 283 N 0.85 0.27 0.00 4.88 2.91 -1.15 -3.49 115.95 120.22 1rkx h TRP 283 Ca 0.16 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1rkx h TRP 283 Cb 0.51 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1rkx h TRP 283 CO 0.03 0.74 0.00 0.41 -1.03 0.00 0.00 178.44 178.60 1rkx n GLY 284 N 0.46 0.49 3.61 2.65 0.00 -0.53 -4.92 105.19 106.95 1rkx n GLY 284 Ca -0.08 -1.18 -0.56 0.00 0.00 0.00 0.00 46.02 44.20 1rkx n GLY 284 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rkx n GLU 285 N 7.27 0.76 -0.14 1.61 4.07 -1.26 -1.46 120.64 131.50 1rkx n GLU 285 Ca 0.00 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1rkx n GLU 285 Cb 0.00 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1rkx n GLU 285 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rkx n GLY 286 N 2.78 0.61 3.63 8.31 0.00 -1.26 -5.06 105.19 114.19 1rkx n GLY 286 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.34 3.32 0.13 4.61 0.00 -0.53 -4.29 121.76 122.66 1rkx s ALA 287 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1rkx s ALA 287 Cb 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1rkx s ALA 287 CO 0.00 0.31 0.68 -1.54 0.00 0.00 0.00 175.76 175.20 1rkx s SER 288 N -0.00 -0.50 0.12 0.00 1.04 -1.26 -4.93 113.70 108.18 1rkx s SER 288 Ca 0.04 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 1rkx s SER 288 Cb -0.12 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1rkx s SER 288 CO 0.01 -0.92 0.03 -1.66 0.98 0.00 0.00 173.24 171.68 1rkx s TRP 289 N -3.62 0.87 -0.01 5.02 1.48 -1.26 -1.66 118.94 119.77 1rkx s TRP 289 Ca 0.03 -1.16 0.02 0.00 -1.06 0.00 0.00 56.10 53.93 1rkx s TRP 289 Cb -0.01 -0.51 -0.00 0.00 -1.16 0.00 0.00 33.47 31.78 1rkx s TRP 289 CO -0.10 -0.42 -0.06 -1.14 -4.06 0.00 0.00 176.95 171.16 1rkx s GLN 290 N -3.99 0.53 0.37 3.25 0.74 0.42 -4.81 119.66 116.17 1rkx s GLN 290 Ca 0.21 -0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1rkx s GLN 290 Cb 0.07 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.66 1rkx s GLN 290 CO -0.00 0.13 0.53 -1.17 -0.55 0.00 0.00 175.29 174.23 1rkx s LEU 291 N -0.11 3.88 0.15 3.68 2.96 -1.26 -0.49 118.68 127.49 1rkx s LEU 291 Ca 0.02 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1rkx s LEU 291 Cb -0.03 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1rkx s LEU 291 CO -0.00 -0.50 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.76 1rkx s GLU 299 N -4.29 1.17 -0.00 1.98 0.41 -1.26 -4.73 118.70 111.98 1rkx s GLU 299 Ca 0.46 -1.38 0.01 0.00 -0.41 0.00 0.00 54.97 53.65 1rkx s GLU 299 Cb -0.10 -1.08 0.03 0.00 -1.78 0.00 0.00 34.13 31.21 1rkx s GLU 299 CO 0.33 0.20 0.92 0.00 -0.49 0.00 0.00 175.26 176.23 1rkx n ALA 300 N 0.22 2.51 -3.75 5.21 0.00 -1.26 -4.87 120.51 118.58 1rkx n ALA 300 Ca -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1rkx n ALA 300 Cb 0.58 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 1rkx n ALA 300 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1rkx s HIS 301 N -1.75 -0.12 0.03 0.00 -3.43 -1.26 -4.83 115.29 103.93 1rkx s HIS 301 Ca 0.03 -0.17 -0.24 0.00 -0.80 0.00 0.00 55.06 53.87 1rkx s HIS 301 Cb 0.01 0.63 0.06 0.00 -1.43 0.00 0.00 32.58 31.86 1rkx s HIS 301 CO 0.01 -0.79 0.55 1.52 -2.00 0.00 0.00 174.74 174.04 1rkx s TYR 302 N -3.21 -0.48 0.05 0.38 -0.85 -1.26 -5.00 117.35 106.99 1rkx s TYR 302 Ca 0.13 0.60 -0.31 0.00 -0.52 0.00 0.00 57.07 56.97 1rkx s TYR 302 Cb -0.01 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.62 1rkx s TYR 302 CO 0.02 -0.64 1.63 -1.17 -1.52 0.00 0.00 175.55 173.86 1rkx s LEU 303 N -1.84 4.36 0.16 -3.49 1.98 -1.26 -4.86 118.68 113.73 1rkx s LEU 303 Ca -0.06 2.43 -0.07 0.00 -2.89 0.00 0.00 54.13 53.54 1rkx s LEU 303 Cb -0.01 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 43.27 1rkx s LEU 303 CO 0.00 -0.87 0.23 -1.59 -1.89 0.00 0.00 176.35 172.23 1rkx s LYS 304 N 2.71 1.11 0.11 1.98 -2.85 -1.26 -4.64 119.74 116.89 1rkx s LYS 304 Ca 0.73 -1.24 0.10 0.00 -1.00 0.00 0.00 55.97 54.56 1rkx s LYS 304 Cb -0.39 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1rkx s LYS 304 CO 0.32 -0.39 -0.27 -0.51 0.10 0.00 0.00 175.35 174.60 1rkx s LEU 305 N -2.99 2.29 -0.29 2.77 1.43 -1.26 -1.43 118.68 119.20 1rkx s LEU 305 Ca 0.19 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1rkx s LEU 305 Cb 0.04 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1rkx s LEU 305 CO 0.01 0.19 0.45 -0.62 0.23 0.00 0.00 176.35 176.61 1rkx s ASP 306 N -1.87 6.33 -0.42 2.29 -1.08 -0.16 -4.69 116.67 117.07 1rkx s ASP 306 Ca 0.13 0.29 0.05 0.00 -0.52 0.00 0.00 52.55 52.50 1rkx s ASP 306 Cb -0.10 -2.25 0.54 0.00 -1.46 0.00 0.00 42.92 39.66 1rkx s ASP 306 CO 0.05 -0.29 1.70 0.00 0.52 0.00 0.00 175.17 177.15 1rkx h SER 308 N 1.32 0.51 -0.19 0.00 0.02 -1.92 -2.37 113.55 110.92 1rkx h SER 308 Ca 0.45 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1rkx h SER 308 Cb 1.87 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1rkx h SER 308 CO 0.90 0.60 0.07 0.50 -1.14 0.00 0.00 176.83 177.75 1rkx h LYS 309 N 0.51 0.29 -0.55 3.45 3.64 -1.92 0.19 116.57 122.19 1rkx h LYS 309 Ca 0.11 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1rkx h LYS 309 Cb 0.37 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1rkx h LYS 309 CO 0.01 0.39 0.26 0.00 -2.27 0.00 0.00 179.45 177.84 1rkx h ALA 310 N 0.89 0.71 0.43 5.00 0.00 -1.77 0.13 119.26 124.65 1rkx h ALA 310 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1rkx h ALA 310 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rkx h ALA 310 CO -0.00 0.28 -0.20 0.87 0.00 0.00 0.00 179.25 180.19 1rkx h LYS 311 N 0.74 -0.55 -0.22 0.00 1.57 -1.22 -1.10 116.57 115.78 1rkx h LYS 311 Ca 0.19 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1rkx h LYS 311 Cb 0.13 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1rkx h LYS 311 CO -0.02 -0.34 -0.11 0.52 -0.57 0.00 0.00 179.45 178.92 1rkx h MET 312 N -0.61 0.47 0.00 3.15 2.86 -0.51 -2.23 114.93 118.06 1rkx h MET 312 Ca -0.06 -0.21 -0.18 0.00 -2.06 0.00 0.00 59.70 57.20 1rkx h MET 312 Cb 0.46 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1rkx h MET 312 CO 0.10 0.75 -1.55 1.04 1.06 0.00 0.00 176.91 178.30 1rkx n GLN 313 N -4.52 0.63 -0.00 1.72 6.02 0.45 -4.38 117.38 117.30 1rkx n GLN 313 Ca -0.04 0.17 0.07 0.00 -0.01 0.00 0.00 57.00 57.19 1rkx n GLN 313 Cb 0.34 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.83 0.32 -0.56 1.08 4.77 -0.47 -4.98 117.00 114.33 1rkx n LEU 314 Ca -0.12 -0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 55.56 1rkx n LEU 314 Cb 0.85 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1rkx n LEU 314 CO 0.43 0.08 -0.07 0.61 -1.33 0.00 0.00 177.39 177.11 1rkx n GLY 315 N 1.51 0.62 3.86 -0.72 0.00 -0.84 -5.00 105.19 104.63 1rkx n GLY 315 Ca -0.00 -0.72 -0.31 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 -2.26 3.43 -0.19 1.61 -0.00 -0.98 -4.97 118.94 115.58 1rkx s TRP 316 Ca 0.00 1.14 -0.28 0.00 -0.00 0.00 0.00 56.10 56.95 1rkx s TRP 316 Cb 0.00 -2.50 0.12 0.00 -0.00 0.00 0.00 33.47 31.08 1rkx s TRP 316 CO 0.00 -0.06 0.96 -3.38 -0.00 0.00 0.00 176.95 174.47 1rkx s HIS 317 N -2.26 -0.46 0.63 5.86 -3.43 -1.26 -3.87 115.29 110.50 1rkx s HIS 317 Ca 0.53 0.93 -0.18 0.00 -0.80 0.00 0.00 55.06 55.54 1rkx s HIS 317 Cb -0.10 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.44 1rkx s HIS 317 CO 0.27 -0.34 1.20 -2.14 -2.00 0.00 0.00 174.74 171.73 1rkx s PRO 318 N -0.59 2.78 -0.06 -0.38 0.02 -1.26 -4.98 135.00 130.53 1rkx s PRO 318 Ca -0.01 1.76 0.08 0.00 0.02 0.00 0.00 61.00 62.85 1rkx s PRO 318 Cb -0.02 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1rkx s PRO 318 CO -0.00 -1.34 0.08 0.54 -0.33 0.00 0.00 177.00 175.95 1rkx n ARG 319 N -1.92 1.93 -4.99 5.54 1.74 -1.26 -5.02 116.66 112.69 1rkx n ARG 319 Ca 0.13 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1rkx n ARG 319 Cb 0.50 -1.20 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.32 2.65 0.82 -1.55 0.51 -1.26 -4.97 118.94 112.82 1rkx s TRP 320 Ca -0.04 -0.54 -0.12 0.00 -2.12 0.00 0.00 56.10 53.28 1rkx s TRP 320 Cb 0.03 -1.70 0.08 0.00 -0.81 0.00 0.00 33.47 31.08 1rkx s TRP 320 CO 0.33 -0.10 1.16 0.54 -0.51 0.00 0.00 176.95 178.37 1rkx s ASN 321 N -0.14 4.40 0.24 2.95 2.20 -1.26 -4.84 114.94 118.50 1rkx s ASN 321 Ca -0.02 0.88 -0.05 0.00 -0.94 0.00 0.00 52.86 52.73 1rkx s ASN 321 Cb -0.14 -1.43 0.33 0.00 -2.00 0.00 0.00 41.25 38.01 1rkx s ASN 321 CO 0.04 -1.98 1.87 0.25 -2.94 0.00 0.00 177.10 174.33 1rkx h LEU 322 N -1.11 0.91 -0.14 3.54 5.85 -1.92 -2.19 115.31 120.25 1rkx h LEU 322 Ca -0.47 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1rkx h LEU 322 Cb 1.32 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1rkx h LEU 322 CO 0.65 0.59 0.04 0.78 -0.34 0.00 0.00 178.44 180.16 1rkx h ASN 323 N 1.05 0.04 -0.53 1.25 2.35 -1.96 0.18 115.58 117.95 1rkx h ASN 323 Ca 0.38 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.17 1rkx h ASN 323 Cb 0.12 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1rkx h ASN 323 CO -0.16 0.04 0.32 0.74 -1.65 0.00 0.00 177.43 176.73 1rkx h THR 324 N 0.11 1.06 -0.33 2.81 2.02 -1.88 -0.90 112.91 115.80 1rkx h THR 324 Ca 0.06 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1rkx h THR 324 Cb 0.04 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1rkx h THR 324 CO -0.07 0.12 0.21 0.74 0.37 0.00 0.00 175.52 176.88 1rkx h THR 325 N 0.63 1.10 -0.49 3.16 2.02 -0.89 -1.91 112.91 116.53 1rkx h THR 325 Ca 0.21 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1rkx h THR 325 Cb 0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1rkx h THR 325 CO -0.10 0.09 0.11 -0.07 0.37 0.00 0.00 175.52 175.93 1rkx h LEU 326 N 0.43 0.69 -0.67 2.58 3.38 -0.30 -0.45 115.31 120.98 1rkx h LEU 326 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rkx h LEU 326 Cb -0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1rkx h LEU 326 CO -0.02 0.69 0.34 -0.33 0.09 0.00 0.00 178.44 179.20 1rkx h GLU 327 N 0.72 0.95 -0.10 1.13 5.08 -0.74 -1.36 114.58 120.26 1rkx h GLU 327 Ca 0.16 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1rkx h GLU 327 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1rkx h GLU 327 CO -0.00 0.74 -0.46 1.88 -1.00 0.00 0.00 179.01 180.16 1rkx h TYR 328 N 0.92 0.28 0.14 4.33 0.99 -0.85 -0.99 116.97 121.79 1rkx h TYR 328 Ca 0.23 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1rkx h TYR 328 Cb 0.09 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 37.76 1rkx h TYR 328 CO 0.00 0.66 -0.07 0.82 -0.00 0.00 0.00 178.16 179.57 1rkx h ILE 329 N 0.19 0.95 -0.74 -2.88 1.08 -0.54 0.19 117.51 115.76 1rkx h ILE 329 Ca 0.01 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1rkx h ILE 329 Cb 0.89 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 1rkx h ILE 329 CO 0.07 0.08 0.42 0.58 -0.69 0.00 0.00 178.15 178.61 1rkx h VAL 330 N -0.34 1.22 -0.34 1.67 2.07 -1.22 -1.59 116.25 117.72 1rkx h VAL 330 Ca -0.02 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1rkx h VAL 330 Cb 0.27 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1rkx h VAL 330 CO 0.03 0.24 0.22 1.23 0.02 0.00 0.00 177.57 179.31 1rkx h GLY 331 N 1.02 0.48 0.95 2.17 0.00 -0.97 0.34 103.07 107.05 1rkx h GLY 331 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1rkx h GLY 331 CO -0.04 0.18 0.17 -0.25 0.00 0.00 0.00 176.54 176.59 1rkx h TRP 332 N 0.46 0.31 -0.61 5.60 7.01 -0.69 -0.14 115.95 127.89 1rkx h TRP 332 Ca 0.12 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 1rkx h TRP 332 Cb -0.03 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1rkx h TRP 332 CO -0.05 0.19 0.07 1.25 -2.79 0.00 0.00 178.44 177.10 1rkx h HIS 333 N 0.34 1.12 -0.22 2.65 2.76 -1.02 -0.68 115.15 120.10 1rkx h HIS 333 Ca 0.11 -0.17 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 1rkx h HIS 333 Cb -0.01 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 1rkx h HIS 333 CO -0.07 0.97 -0.36 0.87 -1.30 0.00 0.00 177.93 178.04 1rkx h LYS 334 N 0.95 0.47 -0.30 5.26 1.57 -0.71 -1.46 116.57 122.35 1rkx h LYS 334 Ca 0.18 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1rkx h LYS 334 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1rkx h LYS 334 CO 0.02 0.76 -0.37 -0.91 -0.57 0.00 0.00 179.45 178.38 1rkx h ASN 335 N 0.40 0.72 -0.03 0.86 4.21 -0.77 -0.77 115.58 120.20 1rkx h ASN 335 Ca 0.04 -0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.24 1rkx h ASN 335 Cb 0.81 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1rkx h ASN 335 CO 0.07 1.02 0.02 -0.25 -1.29 0.00 0.00 177.43 177.00 1rkx h TRP 336 N 0.57 0.04 -0.23 1.19 7.01 -0.78 -0.61 115.95 123.15 1rkx h TRP 336 Ca 0.05 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 1rkx h TRP 336 Cb 0.90 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1rkx h TRP 336 CO 0.04 0.03 0.02 -0.07 -2.79 0.00 0.00 178.44 175.67 1rkx h LEU 337 N 0.03 0.30 0.00 0.65 3.38 -1.13 -2.31 115.31 116.24 1rkx h LEU 337 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rkx h LEU 337 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rkx h LEU 337 CO -0.00 0.34 0.00 -0.24 0.09 0.00 0.00 178.44 178.63 1rkx n SER 338 N -4.37 0.00 0.00 -0.43 2.88 -0.31 -4.87 113.62 106.53 1rkx n SER 338 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1rkx n SER 338 Cb 0.18 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1rkx n SER 338 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rkx n GLY 339 N 0.70 0.80 3.78 0.46 0.00 -0.87 -5.06 105.19 105.00 1rkx n GLY 339 Ca 0.11 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1rkx n GLY 339 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rkx s THR 340 N -2.00 3.35 -0.48 2.61 2.01 -0.27 -4.92 115.64 115.94 1rkx s THR 340 Ca 0.00 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.63 1rkx s THR 340 Cb 0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1rkx s THR 340 CO 0.00 -0.12 1.70 -0.62 -0.69 0.00 0.00 174.62 174.88 1rkx s ASP 341 N -1.70 5.79 0.06 3.53 -1.08 -1.26 -4.75 116.67 117.27 1rkx s ASP 341 Ca 0.68 0.73 0.25 0.00 -0.52 0.00 0.00 52.55 53.69 1rkx s ASP 341 Cb -0.23 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.70 1rkx s ASP 341 CO 0.27 -1.89 1.78 0.23 0.52 0.00 0.00 175.17 176.08 1rkx n MET 342 N 8.67 0.07 0.04 4.34 2.81 -1.26 -1.65 117.12 130.13 1rkx n MET 342 Ca 0.19 0.13 -0.12 0.00 -1.81 0.00 0.00 57.70 56.09 1rkx n MET 342 Cb 0.49 -1.59 -0.09 0.00 -0.71 0.00 0.00 33.22 31.32 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 -0.14 -0.55 2.03 -0.00 -1.74 -1.70 115.15 113.04 1rkx h HIS 343 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1rkx h HIS 343 Cb 0.48 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1rkx h HIS 343 CO 0.00 0.34 -0.07 0.93 -0.00 0.00 0.00 177.93 179.13 1rkx h GLU 344 N -0.75 1.01 -0.54 5.26 4.39 -1.88 -2.07 114.58 120.01 1rkx h GLU 344 Ca -0.02 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1rkx h GLU 344 Cb 0.55 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1rkx h GLU 344 CO 0.03 1.03 0.35 -0.92 -1.16 0.00 0.00 179.01 178.34 1rkx h TYR 345 N 0.91 0.69 -0.31 4.33 3.20 -1.37 -1.06 116.97 123.35 1rkx h TYR 345 Ca 0.15 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1rkx h TYR 345 Cb 0.62 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1rkx h TYR 345 CO 0.04 0.44 -0.14 0.77 -1.64 0.00 0.00 178.16 177.63 1rkx h SER 346 N 0.73 0.52 -0.53 -2.11 0.02 -1.12 -0.86 113.55 110.20 1rkx h SER 346 Ca 0.20 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1rkx h SER 346 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1rkx h SER 346 CO -0.04 0.69 0.14 0.40 -1.14 0.00 0.00 176.83 176.87 1rkx h ILE 347 N 0.49 1.24 -0.36 3.27 1.08 -0.85 -1.58 117.51 120.80 1rkx h ILE 347 Ca 0.09 -0.85 -0.07 0.00 -0.39 0.00 0.00 64.86 63.64 1rkx h ILE 347 Cb 0.53 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1rkx h ILE 347 CO 0.03 0.31 -0.06 0.74 -0.69 0.00 0.00 178.15 178.48 1rkx h THR 348 N 0.75 1.23 -0.65 -0.27 2.02 -0.75 -0.96 112.91 114.28 1rkx h THR 348 Ca 0.17 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1rkx h THR 348 Cb 0.33 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1rkx h THR 348 CO 0.00 0.32 0.24 -0.08 0.37 0.00 0.00 175.52 176.38 1rkx h GLU 349 N 0.55 0.98 -0.61 6.66 4.81 -0.65 0.20 114.58 126.52 1rkx h GLU 349 Ca 0.11 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1rkx h GLU 349 Cb 0.45 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1rkx h GLU 349 CO 0.02 0.83 0.26 0.82 -0.73 0.00 0.00 179.01 180.22 1rkx h ILE 350 N 0.92 1.22 -0.67 2.32 2.04 -0.78 -1.16 117.51 121.40 1rkx h ILE 350 Ca 0.21 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1rkx h ILE 350 Cb 0.23 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1rkx h ILE 350 CO -0.01 0.26 0.32 0.78 0.00 0.00 0.00 178.15 179.50 1rkx h ASN 351 N 0.84 0.88 -0.93 1.72 2.35 -0.52 -0.82 115.58 119.09 1rkx h ASN 351 Ca 0.21 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1rkx h ASN 351 Cb 0.17 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1rkx h ASN 351 CO -0.02 0.77 0.62 0.78 -1.65 0.00 0.00 177.43 177.93 1rkx h ASN 352 N 0.93 1.07 -0.08 5.81 -0.26 -0.23 -0.20 115.58 122.61 1rkx h ASN 352 Ca 0.23 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1rkx h ASN 352 Cb 0.12 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1rkx h ASN 352 CO -0.03 0.77 0.02 0.22 -1.06 0.00 0.00 177.43 177.35 1rkx h TYR 353 N 1.26 0.12 -0.63 1.19 3.20 -0.69 -2.41 116.97 119.00 1rkx h TYR 353 Ca 0.35 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.28 1rkx h TYR 353 Cb -0.13 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1rkx h TYR 353 CO -0.01 0.27 0.42 0.52 -1.64 0.00 0.00 178.16 177.73 1rkx h MET 354 N -0.06 0.57 0.00 1.82 2.86 -0.63 -1.68 114.93 117.81 1rkx h MET 354 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1rkx h MET 354 Cb 0.21 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1rkx h MET 354 CO -0.00 0.38 0.00 -0.91 1.06 0.00 0.00 176.91 177.44 1rkx h ASN 355 N 0.59 0.00 -2.58 1.22 2.35 -0.76 -3.46 115.58 112.94 1rkx h ASN 355 Ca 0.28 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.50 1rkx h ASN 355 Cb 0.34 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.73 1rkx h ASN 355 CO -0.09 0.00 1.08 -0.89 -1.65 0.00 0.00 177.43 175.88 1rkx s THR 356 N -3.43 2.96 0.00 2.81 2.01 -0.63 -5.09 115.64 114.26 1rkx s THR 356 Ca 0.04 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1rkx s THR 356 Cb 0.07 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1rkx s THR 356 CO 0.61 -0.01 0.00 2.29 -0.69 0.00 0.00 174.62 176.82