#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 6.43 0.23 4.38 3.84 -1.26 -4.91 114.94 123.66 1rkx s ASN 3 Ca 0.00 -0.02 -0.07 0.00 0.21 0.00 0.00 52.86 52.98 1rkx s ASN 3 Cb 0.00 -2.49 0.21 0.00 -0.55 0.00 0.00 41.25 38.42 1rkx s ASN 3 CO 0.00 -1.30 1.85 0.78 -2.79 0.00 0.00 177.10 175.64 1rkx h ASN 4 N 9.36 1.13 -0.62 -4.21 2.35 -2.01 -2.69 115.58 118.88 1rkx h ASN 4 Ca -0.25 -0.10 0.10 0.00 -0.55 0.00 0.00 56.30 55.49 1rkx h ASN 4 Cb 1.07 -0.29 -0.08 0.00 0.05 0.00 0.00 38.32 39.07 1rkx h ASN 4 CO 1.12 0.91 0.23 -1.28 -1.65 0.00 0.00 177.43 176.76 1rkx h SER 5 N 1.26 0.21 -0.74 5.81 0.87 -1.91 -2.48 113.55 116.58 1rkx h SER 5 Ca 0.32 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 61.07 1rkx h SER 5 Cb 0.04 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 61.99 1rkx h SER 5 CO -0.05 0.12 0.35 0.15 -0.53 0.00 0.00 176.83 176.88 1rkx h PHE 6 N 0.40 0.63 0.00 2.24 3.57 -1.85 -2.45 116.94 119.48 1rkx h PHE 6 Ca 0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1rkx h PHE 6 Cb 0.41 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1rkx h PHE 6 CO -0.17 0.19 0.00 -1.49 -2.23 0.00 0.00 178.31 174.61 1rkx h TRP 7 N 0.57 0.00 -1.99 0.41 4.06 -1.48 -3.43 115.95 114.10 1rkx h TRP 7 Ca 0.38 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.72 1rkx h TRP 7 Cb 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.63 1rkx h TRP 7 CO -0.12 0.00 1.17 0.94 -3.56 0.00 0.00 178.44 176.87 1rkx n GLN 8 N -3.02 2.15 -0.77 0.49 -0.06 -0.92 -1.62 117.38 113.61 1rkx n GLN 8 Ca 0.01 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1rkx n GLN 8 Cb 0.34 -2.71 0.00 0.00 -4.06 0.00 0.00 30.24 23.81 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 4.69 1.26 3.76 1.69 0.00 -0.01 -4.91 105.19 111.66 1rkx n GLY 9 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 4.51 -0.47 1.61 -0.14 -0.64 -4.59 119.74 119.94 1rkx s LYS 10 Ca 0.00 1.95 -0.22 0.00 -1.36 0.00 0.00 55.97 56.34 1rkx s LYS 10 Cb 0.00 -3.17 0.03 0.00 -1.68 0.00 0.00 37.83 33.01 1rkx s LYS 10 CO 0.00 -0.00 0.76 1.03 -0.76 0.00 0.00 175.35 176.38 1rkx s ARG 11 N -1.16 3.32 -0.14 1.68 0.52 -1.26 -0.14 118.95 121.78 1rkx s ARG 11 Ca 0.49 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1rkx s ARG 11 Cb -0.35 -3.99 -0.01 0.00 0.52 0.00 0.00 34.95 31.13 1rkx s ARG 11 CO 0.43 -1.18 -0.15 0.08 0.02 0.00 0.00 175.30 174.51 1rkx s VAL 12 N 3.21 2.83 -0.21 3.52 1.01 0.11 -1.13 120.40 129.75 1rkx s VAL 12 Ca 0.26 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1rkx s VAL 12 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1rkx s VAL 12 CO 0.20 0.52 0.05 0.12 0.00 0.00 0.00 175.10 175.98 1rkx s PHE 13 N 0.53 3.13 -0.20 5.22 5.36 -0.17 -1.01 117.98 130.84 1rkx s PHE 13 Ca -0.10 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1rkx s PHE 13 Cb -0.16 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 1rkx s PHE 13 CO 0.04 -0.10 -0.09 0.08 -1.46 0.00 0.00 175.22 173.68 1rkx s VAL 14 N 0.90 1.57 0.26 3.12 1.01 0.64 -1.15 120.40 126.75 1rkx s VAL 14 Ca 0.03 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1rkx s VAL 14 Cb -0.14 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 1rkx s VAL 14 CO 0.02 0.15 0.74 0.42 0.00 0.00 0.00 175.10 176.44 1rkx s THR 15 N 1.43 4.59 -0.13 3.92 -4.23 -0.63 -1.63 115.64 118.95 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 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1rkx s THR 15 CO -0.08 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1rkx n GLY 16 N 0.38 0.42 0.17 3.99 0.00 -0.53 -2.10 105.19 107.53 1rkx n GLY 16 Ca -0.00 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.77 -2.59 115.15 112.34 1rkx h HIS 17 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1rkx h HIS 17 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1rkx h HIS 17 CO 0.04 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.22 1rkx n THR 18 N -2.44 0.06 -2.82 6.12 -2.24 -1.26 -2.99 114.28 108.71 1rkx n THR 18 Ca 0.01 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1rkx n THR 18 Cb 0.20 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.13 1.56 0.30 3.38 0.00 -0.97 -4.38 105.19 106.20 1rkx n GLY 19 Ca 0.18 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.12 -0.70 -0.62 1.61 3.57 -1.88 0.33 116.94 119.13 1rkx h PHE 20 Ca -0.12 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 1rkx h PHE 20 Cb 0.49 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1rkx h PHE 20 CO 0.00 -0.44 0.01 0.87 -2.23 0.00 0.00 178.31 176.52 1rkx h LYS 21 N -0.81 1.09 -0.64 1.11 1.57 -1.97 -2.73 116.57 114.19 1rkx h LYS 21 Ca -0.08 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1rkx h LYS 21 Cb 0.58 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1rkx h LYS 21 CO 0.13 1.05 0.27 0.78 -0.57 0.00 0.00 179.45 181.11 1rkx h GLY 22 N 1.00 1.00 0.76 3.86 0.00 -1.65 -1.00 103.07 107.03 1rkx h GLY 22 Ca 0.18 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1rkx h GLY 22 CO 0.03 0.48 -0.01 -1.33 0.00 0.00 0.00 176.54 175.71 1rkx h GLY 23 N 1.01 0.24 1.01 4.60 0.00 -0.78 0.32 103.07 109.47 1rkx h GLY 23 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1rkx h GLY 23 CO -0.02 0.17 0.43 1.49 0.00 0.00 0.00 176.54 178.60 1rkx h TRP 24 N -0.06 1.08 -0.41 5.60 4.06 -1.31 -0.44 115.95 124.47 1rkx h TRP 24 Ca 0.03 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1rkx h TRP 24 Cb 0.39 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 1rkx h TRP 24 CO 0.04 0.75 0.11 1.25 -3.56 0.00 0.00 178.44 177.04 1rkx h LEU 25 N 1.09 0.61 -0.54 -4.49 5.85 -1.09 -0.77 115.31 115.97 1rkx h LEU 25 Ca 0.28 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1rkx h LEU 25 Cb 0.04 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1rkx h LEU 25 CO -0.04 0.67 0.31 0.28 -0.34 0.00 0.00 178.44 179.32 1rkx h SER 26 N 0.52 0.66 -0.73 1.25 0.02 -0.63 0.23 113.55 114.87 1rkx h SER 26 Ca 0.13 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rkx h SER 26 Cb 0.29 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1rkx h SER 26 CO -0.00 0.54 0.38 -0.07 -1.14 0.00 0.00 176.83 176.54 1rkx h LEU 27 N 0.72 0.93 -0.13 5.07 3.38 -0.94 -0.12 115.31 124.22 1rkx h LEU 27 Ca 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rkx h LEU 27 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1rkx h LEU 27 CO -0.03 0.77 0.07 -0.25 0.09 0.00 0.00 178.44 179.09 1rkx h TRP 28 N 1.01 0.18 -0.66 1.13 2.91 -0.65 -1.05 115.95 118.82 1rkx h TRP 28 Ca 0.25 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.28 1rkx h TRP 28 Cb 0.07 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 1rkx h TRP 28 CO 0.00 0.20 0.44 -0.07 -1.03 0.00 0.00 178.44 177.98 1rkx h LEU 29 N 0.10 0.75 -0.31 0.65 3.38 -0.73 -2.48 115.31 116.68 1rkx h LEU 29 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rkx h LEU 29 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1rkx h LEU 29 CO -0.01 0.54 0.18 1.56 0.09 0.00 0.00 178.44 180.80 1rkx h GLN 30 N 0.89 0.35 0.00 1.13 4.20 -0.73 -2.04 115.11 118.91 1rkx h GLN 30 Ca 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1rkx h GLN 30 Cb -0.10 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1rkx h GLN 30 CO -0.05 0.23 -0.04 1.79 -0.67 0.00 0.00 178.83 180.09 1rkx h THR 31 N 0.36 0.60 -0.34 -0.54 1.35 -0.85 -0.96 112.91 112.53 1rkx h THR 31 Ca 0.12 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1rkx h THR 31 Cb 0.01 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1rkx h THR 31 CO -0.06 0.04 0.00 0.23 -0.25 0.00 0.00 175.52 175.48 1rkx n MET 32 N -3.87 1.88 -0.86 4.72 2.81 -0.83 -4.92 117.12 116.06 1rkx n MET 32 Ca -0.03 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.51 1rkx n MET 32 Cb 0.13 -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 3.84 3.03 0.00 -0.37 -3.05 105.19 110.31 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 2.92 -0.49 4.61 0.00 -0.83 -0.83 121.76 125.14 1rkx s ALA 34 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1rkx s ALA 34 Cb 0.00 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.05 1rkx s ALA 34 CO 0.00 -0.69 0.49 0.99 0.00 0.00 0.00 175.76 176.55 1rkx s THR 35 N -2.82 5.09 -0.06 0.00 2.01 0.81 -4.63 115.64 116.04 1rkx s THR 35 Ca 0.59 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1rkx s THR 35 Cb -0.12 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1rkx s THR 35 CO 0.43 -0.69 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.97 1rkx s VAL 36 N 2.02 4.12 -0.04 3.82 1.01 -1.26 -0.71 120.40 129.36 1rkx s VAL 36 Ca 0.08 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1rkx s VAL 36 Cb -0.23 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1rkx s VAL 36 CO 0.08 0.55 -0.13 -0.75 0.00 0.00 0.00 175.10 174.86 1rkx s LYS 37 N -1.02 1.49 0.15 2.72 2.20 -0.18 -1.03 119.74 124.07 1rkx s LYS 37 Ca 0.14 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.40 1rkx s LYS 37 Cb -0.11 -1.30 -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 0.28 1.70 -0.15 5.54 0.00 0.77 -0.26 107.32 115.20 1rkx s GLY 38 Ca -0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 1rkx s GLY 38 CO 0.02 -1.43 0.08 -0.47 0.00 0.00 0.00 173.10 171.30 1rkx s TYR 39 N -1.39 0.24 0.32 1.90 5.04 -0.65 -0.80 117.35 122.02 1rkx s TYR 39 Ca 0.20 -0.28 -0.14 0.00 -2.44 0.00 0.00 57.07 54.41 1rkx s TYR 39 Cb -0.10 -0.69 0.02 0.00 0.35 0.00 0.00 41.96 41.55 1rkx s TYR 39 CO 0.11 -0.48 0.64 -1.12 -1.34 0.00 0.00 175.55 173.37 1rkx s SER 40 N 2.12 0.07 0.75 4.32 0.01 -0.93 -1.45 113.70 118.59 1rkx s SER 40 Ca 0.02 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.20 1rkx s SER 40 Cb -0.16 0.72 0.09 0.00 0.21 0.00 0.00 66.02 66.89 1rkx s SER 40 CO -0.08 -1.40 1.07 -0.76 0.41 0.00 0.00 173.24 172.48 1rkx s LEU 41 N -3.05 2.81 0.52 2.44 1.43 -1.20 0.01 118.68 121.65 1rkx s LEU 41 Ca 0.19 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 1rkx s LEU 41 Cb -0.03 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 1rkx s LEU 41 CO 0.11 -1.82 1.07 0.41 0.23 0.00 0.00 176.35 176.35 1rkx n THR 42 N -3.06 3.21 -1.47 5.49 -1.04 -1.26 -4.77 114.28 111.37 1rkx n THR 42 Ca 0.10 -0.50 -0.56 0.00 -2.04 0.00 0.00 64.05 61.05 1rkx n THR 42 Cb 0.60 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.77 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 -1.09 -3.38 0.30 2.41 0.00 -1.26 -4.82 120.51 112.66 1rkx n ALA 43 Ca 0.11 0.55 0.19 0.00 0.00 0.00 0.00 53.44 54.29 1rkx n ALA 43 Cb 0.44 -1.72 0.91 0.00 0.00 0.00 0.00 19.45 19.07 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 2.46 0.00 -4.09 0.00 0.13 -1.87 -3.46 132.00 125.18 1rkx h PRO 44 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1rkx h PRO 44 Cb 1.43 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.43 1rkx h PRO 44 CO 0.63 0.00 -0.43 0.95 -0.23 0.00 0.00 178.00 178.92 1rkx s THR 45 N -3.85 0.06 -0.11 1.56 -4.23 -1.26 -5.10 115.64 102.72 1rkx s THR 45 Ca -0.02 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1rkx s THR 45 Cb 0.10 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.99 1rkx s THR 45 CO 0.41 -0.29 0.03 -0.69 -0.54 0.00 0.00 174.62 173.55 1rkx s VAL 46 N -4.01 0.26 1.09 2.29 1.01 -1.26 -3.61 120.40 116.17 1rkx s VAL 46 Ca 0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1rkx s VAL 46 Cb 0.05 -0.59 0.24 0.00 0.00 0.00 0.00 36.38 36.07 1rkx s VAL 46 CO 0.02 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 1rkx s PRO 47 N 2.00 -0.33 0.02 2.72 0.04 -1.26 -5.15 135.00 133.04 1rkx s PRO 47 Ca 0.03 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 1rkx s PRO 47 Cb -0.14 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1rkx s PRO 47 CO -0.06 -3.21 0.19 -1.54 0.04 0.00 0.00 177.00 172.42 1rkx s SER 48 N -3.47 -0.01 0.25 6.66 1.04 -1.24 -4.72 113.70 112.21 1rkx s SER 48 Ca 0.67 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 1rkx s SER 48 Cb -0.17 0.26 0.27 0.00 0.10 0.00 0.00 66.02 66.48 1rkx s SER 48 CO 0.58 -0.46 1.89 0.25 0.98 0.00 0.00 173.24 176.48 1rkx h LEU 49 N 3.86 1.09 -0.55 2.42 5.85 -1.89 -1.02 115.31 125.07 1rkx h LEU 49 Ca -0.31 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1rkx h LEU 49 Cb 1.19 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.83 1rkx h LEU 49 CO 0.44 0.85 -0.21 0.15 -0.34 0.00 0.00 178.44 179.32 1rkx h PHE 50 N 1.24 -0.51 0.11 1.25 3.57 -1.84 0.12 116.94 120.88 1rkx h PHE 50 Ca 0.32 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.71 1rkx h PHE 50 Cb -0.03 0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.03 1rkx h PHE 50 CO 0.01 -0.30 -0.79 0.93 -2.23 0.00 0.00 178.31 175.93 1rkx h GLU 51 N -0.08 0.24 -0.37 1.11 4.39 -1.88 -1.06 114.58 116.93 1rkx h GLU 51 Ca 0.26 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1rkx h GLU 51 Cb 0.48 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1rkx h GLU 51 CO -0.61 1.20 0.12 1.79 -1.16 0.00 0.00 179.01 180.35 1rkx h THR 52 N -0.47 1.16 -0.59 1.13 1.35 -1.02 -2.66 112.91 111.80 1rkx h THR 52 Ca -0.15 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1rkx h THR 52 Cb 1.56 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1rkx h THR 52 CO 0.11 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 1rkx n ALA 53 N -2.48 2.73 -4.05 6.62 0.00 0.39 -3.96 120.51 119.76 1rkx n ALA 53 Ca 0.02 -1.50 -0.29 0.00 0.00 0.00 0.00 53.44 51.67 1rkx n ALA 53 Cb 0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 1.03 -3.19 -0.34 0.00 5.12 -1.00 -4.34 116.66 113.94 1rkx n ARG 54 Ca 0.23 0.38 0.06 0.00 -1.93 0.00 0.00 57.85 56.59 1rkx n ARG 54 Cb 0.74 -4.67 0.25 0.00 -1.16 0.00 0.00 32.46 27.62 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 -1.74 0.97 -0.07 1.55 2.07 -1.42 -2.93 116.25 114.68 1rkx h VAL 55 Ca -0.62 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.43 1rkx h VAL 55 Cb 1.38 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rkx h VAL 55 CO 0.68 0.18 -0.52 0.00 0.02 0.00 0.00 177.57 177.93 1rkx h ALA 56 N 1.53 1.00 -0.82 1.67 0.00 -1.89 -3.33 119.26 117.42 1rkx h ALA 56 Ca 0.46 -0.48 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1rkx h ALA 56 Cb 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1rkx h ALA 56 CO -0.22 0.67 0.56 -0.44 0.00 0.00 0.00 179.25 179.82 1rkx h ASP 57 N 0.15 0.19 -0.55 0.00 3.32 -1.90 -1.84 116.42 115.80 1rkx h ASP 57 Ca 0.00 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1rkx h ASP 57 Cb 0.97 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 1rkx h ASP 57 CO 0.08 0.08 0.12 0.61 -1.72 0.00 0.00 179.24 178.41 1rkx n GLY 58 N -1.61 3.79 3.72 2.75 0.00 -1.25 -5.00 105.19 107.60 1rkx n GLY 58 Ca 0.17 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.95 2.06 -0.21 1.61 0.23 -0.69 -4.78 119.30 114.56 1rkx s MET 59 Ca 0.51 -1.45 -0.21 0.00 -1.03 0.00 0.00 55.69 53.50 1rkx s MET 59 Cb 0.41 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 34.26 1rkx s MET 59 CO 0.11 -0.93 0.65 -0.65 -2.03 0.00 0.00 175.02 172.18 1rkx s GLN 60 N -2.81 4.19 -0.26 3.16 -0.21 -0.19 -4.92 119.66 118.62 1rkx s GLN 60 Ca 0.19 0.65 0.01 0.00 0.02 0.00 0.00 55.36 56.23 1rkx s GLN 60 Cb -0.04 -3.60 0.05 0.00 1.00 0.00 0.00 33.01 30.42 1rkx s GLN 60 CO 0.13 -0.30 -0.08 0.45 -2.12 0.00 0.00 175.29 173.36 1rkx s SER 61 N 1.27 4.43 -0.12 5.90 0.15 -1.26 -0.17 113.70 123.90 1rkx s SER 61 Ca 0.29 -1.22 -0.01 0.00 0.70 0.00 0.00 55.95 55.72 1rkx s SER 61 Cb -0.16 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 1rkx s SER 61 CO 0.10 -0.18 -0.09 -0.70 1.20 0.00 0.00 173.24 173.56 1rkx s GLU 62 N 1.19 3.24 -0.27 5.44 2.12 0.02 -4.97 118.70 125.47 1rkx s GLU 62 Ca -0.05 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 54.53 1rkx s GLU 62 Cb -0.19 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1rkx s GLU 62 CO -0.05 0.36 0.30 0.42 -0.54 0.00 0.00 175.26 175.75 1rkx s ILE 63 N -0.01 5.23 0.09 -3.70 -1.09 -1.26 -2.18 121.20 118.29 1rkx s ILE 63 Ca -0.02 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.55 1rkx s ILE 63 Cb -0.14 -3.63 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1rkx s ILE 63 CO 0.03 0.20 0.77 -0.83 -1.23 0.00 0.00 174.94 173.89 1rkx s GLY 64 N 1.69 -0.47 -0.14 6.18 0.00 0.10 -4.91 107.32 109.77 1rkx s GLY 64 Ca 0.12 0.62 -0.14 0.00 0.00 0.00 0.00 44.72 45.32 1rkx s GLY 64 CO 0.10 0.20 0.31 -0.35 0.00 0.00 0.00 173.10 173.37 1rkx s ASP 65 N -2.66 6.49 0.00 1.64 -1.08 -1.26 -3.26 116.67 116.53 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 0.65 0.00 -1.46 0.00 0.00 42.92 39.91 1rkx s ASP 65 CO -0.08 0.13 1.46 2.30 0.52 0.00 0.00 175.17 179.50 1rkx n ILE 66 N 3.34 0.91 1.44 4.11 -5.35 -1.26 -1.54 119.36 121.01 1rkx n ILE 66 Ca -0.12 0.23 0.14 0.00 -0.27 0.00 0.00 62.75 62.73 1rkx n ILE 66 Cb 0.52 -0.98 0.62 0.00 -1.74 0.00 0.00 39.64 38.07 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 -1.46 0.75 -3.11 6.28 1.74 -1.26 -4.44 116.66 115.17 1rkx n ARG 67 Ca 0.04 -0.26 -0.45 0.00 -0.77 0.00 0.00 57.85 56.41 1rkx n ARG 67 Cb 0.16 -1.49 -0.02 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 -2.43 6.77 0.19 0.55 -1.08 -0.59 -4.92 116.67 115.17 1rkx s ASP 68 Ca 0.30 -2.49 -0.15 0.00 -0.52 0.00 0.00 52.55 49.70 1rkx s ASP 68 Cb 0.20 -2.32 0.18 0.00 -1.46 0.00 0.00 42.92 39.53 1rkx s ASP 68 CO 0.46 -0.80 1.64 -0.61 0.52 0.00 0.00 175.17 176.39 1rkx h GLN 69 N 8.13 -0.00 -0.30 4.34 4.15 -1.85 -1.48 115.11 128.10 1rkx h GLN 69 Ca 0.16 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.40 1rkx h GLN 69 Cb 1.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 1rkx h GLN 69 CO 0.98 -0.00 -0.49 -0.97 -1.93 0.00 0.00 178.83 176.42 1rkx h ASN 70 N -0.00 0.95 -0.26 -0.69 -1.24 -1.96 -1.65 115.58 110.73 1rkx h ASN 70 Ca 0.26 -0.52 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 1rkx h ASN 70 Cb 0.40 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1rkx h ASN 70 CO -0.56 1.29 0.06 0.50 -1.29 0.00 0.00 177.43 177.43 1rkx h LYS 71 N 0.65 0.51 -0.17 6.67 3.64 -1.86 -0.07 116.57 125.94 1rkx h LYS 71 Ca 0.02 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1rkx h LYS 71 Cb 1.10 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1rkx h LYS 71 CO 0.11 0.49 -0.60 1.25 -2.27 0.00 0.00 179.45 178.44 1rkx h LEU 72 N 0.50 0.82 -0.35 5.20 5.85 -1.19 -1.72 115.31 124.42 1rkx h LEU 72 Ca 0.12 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.24 1rkx h LEU 72 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1rkx h LEU 72 CO -0.00 1.28 0.22 0.25 -0.34 0.00 0.00 178.44 179.85 1rkx h LEU 73 N 0.40 0.37 -0.48 2.25 5.85 -0.82 -1.71 115.31 121.17 1rkx h LEU 73 Ca -0.03 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1rkx h LEU 73 Cb 1.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1rkx h LEU 73 CO 0.13 0.27 0.14 -0.33 -0.34 0.00 0.00 178.44 178.31 1rkx h GLU 74 N 0.45 0.75 -0.80 1.25 4.39 -1.03 0.13 114.58 119.72 1rkx h GLU 74 Ca 0.13 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1rkx h GLU 74 Cb -0.03 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1rkx h GLU 74 CO -0.04 0.72 0.53 1.03 -1.16 0.00 0.00 179.01 180.08 1rkx h SER 75 N 0.64 0.86 0.04 1.42 0.87 -1.07 0.63 113.55 116.94 1rkx h SER 75 Ca 0.15 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 1rkx h SER 75 Cb 0.28 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1rkx h SER 75 CO -0.00 0.60 -0.48 0.40 -0.53 0.00 0.00 176.83 176.82 1rkx h ILE 76 N 1.01 1.53 -0.97 2.23 2.04 -1.04 -3.07 117.51 119.24 1rkx h ILE 76 Ca 0.31 -2.19 0.01 0.00 1.00 0.00 0.00 64.86 64.00 1rkx h ILE 76 Cb -0.00 2.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 1rkx h ILE 76 CO -0.09 0.61 0.64 -0.09 0.00 0.00 0.00 178.15 179.23 1rkx h ARG 77 N -0.40 1.27 -0.72 2.37 2.43 -0.50 0.50 114.38 119.32 1rkx h ARG 77 Ca -0.07 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1rkx h ARG 77 Cb 1.26 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1rkx h ARG 77 CO 0.09 0.84 0.32 1.49 -1.51 0.00 0.00 179.97 181.21 1rkx h GLU 78 N 1.31 1.05 0.03 0.20 4.22 -0.97 -3.22 114.58 117.20 1rkx h GLU 78 Ca 0.35 -0.16 -0.26 0.00 0.08 0.00 0.00 59.36 59.38 1rkx h GLU 78 Cb -0.15 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.88 1rkx h GLU 78 CO -0.08 0.82 -1.34 0.35 -2.18 0.00 0.00 179.01 176.59 1rkx h PHE 79 N 1.03 0.13 -5.79 0.92 3.57 -1.27 -3.49 116.94 112.04 1rkx h PHE 79 Ca 0.25 -0.09 -0.34 0.00 3.53 0.00 0.00 57.97 61.32 1rkx h PHE 79 Cb 0.14 -0.01 0.14 0.00 2.79 0.00 0.00 35.95 39.02 1rkx h PHE 79 CO 0.01 1.10 -0.87 1.04 -2.23 0.00 0.00 178.31 177.36 1rkx n GLN 80 N -3.30 -2.72 -1.99 1.11 1.13 0.10 -4.96 117.38 106.76 1rkx n GLN 80 Ca -0.09 0.71 -0.33 0.00 -1.94 0.00 0.00 57.00 55.35 1rkx n GLN 80 Cb 1.00 -5.23 0.02 0.00 0.11 0.00 0.00 30.24 26.14 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 -5.18 3.15 -0.07 -1.09 0.04 -1.26 -4.93 135.00 125.66 1rkx s PRO 81 Ca 0.36 1.34 0.17 0.00 0.04 0.00 0.00 61.00 62.90 1rkx s PRO 81 Cb -0.08 -2.00 -0.26 0.00 0.04 0.00 0.00 34.50 32.20 1rkx s PRO 81 CO 0.79 -0.97 0.29 0.39 0.04 0.00 0.00 177.00 177.54 1rkx n GLU 82 N -2.03 0.77 -4.21 4.56 1.02 -0.29 -3.89 120.64 116.58 1rkx n GLU 82 Ca 0.10 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 56.94 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 -2.99 0.52 -0.05 -3.67 1.01 -1.03 -0.14 121.20 114.86 1rkx s ILE 83 Ca -0.07 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1rkx s ILE 83 Cb 0.09 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.09 1rkx s ILE 83 CO 0.73 0.18 -0.13 -0.69 0.00 0.00 0.00 174.94 175.03 1rkx s VAL 84 N 0.28 1.11 -0.23 2.92 1.01 0.01 -1.00 120.40 124.50 1rkx s VAL 84 Ca -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1rkx s VAL 84 Cb -0.07 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1rkx s VAL 84 CO -0.00 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.95 1rkx s PHE 85 N 0.35 3.05 -0.52 5.22 0.40 -0.30 -0.48 117.98 125.69 1rkx s PHE 85 Ca -0.08 -1.89 -0.17 0.00 -0.60 0.00 0.00 56.93 54.19 1rkx s PHE 85 Cb -0.12 -1.96 0.10 0.00 0.51 0.00 0.00 43.02 41.54 1rkx s PHE 85 CO 0.02 -0.82 0.53 -1.58 0.70 0.00 0.00 175.22 174.07 1rkx s HIS 86 N 1.23 3.17 -0.28 0.36 2.46 -0.28 -1.60 115.29 120.33 1rkx s HIS 86 Ca -0.02 -0.99 0.04 0.00 0.47 0.00 0.00 55.06 54.56 1rkx s HIS 86 Cb -0.17 -3.60 -0.01 0.00 -0.13 0.00 0.00 32.58 28.67 1rkx s HIS 86 CO -0.08 -1.01 0.33 -1.33 -2.47 0.00 0.00 174.74 170.19 1rkx n MET 87 N 5.60 3.40 -2.24 2.88 2.81 -0.89 -1.28 117.12 127.40 1rkx n MET 87 Ca -0.11 -0.28 -0.42 0.00 -1.81 0.00 0.00 57.70 55.07 1rkx n MET 87 Cb 0.42 -0.82 -0.03 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.93 3.52 -0.15 3.04 0.00 -1.13 -4.71 121.76 121.41 1rkx s ALA 88 Ca 0.03 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.70 1rkx s ALA 88 Cb 0.03 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.80 1rkx s ALA 88 CO 0.10 -0.53 1.28 0.00 0.00 0.00 0.00 175.76 176.61 1rkx s ALA 89 N 0.55 -2.18 -0.59 0.00 0.00 -1.26 -4.90 121.76 113.37 1rkx s ALA 89 Ca 0.59 1.34 -0.23 0.00 0.00 0.00 0.00 51.96 53.66 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 0.34 -0.76 0.91 -1.14 0.00 0.00 0.00 175.76 175.12 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 -0.59 0.28 0.00 -2.50 0.00 0.00 55.36 52.66 1rkx s GLN 90 Cb 0.01 -4.14 1.12 0.00 -1.64 0.00 0.00 33.01 28.37 1rkx s GLN 90 CO -0.04 -1.60 1.79 -0.35 0.50 0.00 0.00 175.29 175.58 1rkx n PRO 91 N 7.41 1.60 -3.66 1.67 -0.04 -1.26 -4.93 135.00 135.79 1rkx n PRO 91 Ca -0.02 -0.88 -0.36 0.00 -0.04 0.00 0.00 63.50 62.20 1rkx n PRO 91 Cb 0.46 -1.48 -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 -1.99 4.16 0.02 1.53 1.43 -1.26 -4.99 118.68 117.57 1rkx s LEU 92 Ca 0.39 0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 1rkx s LEU 92 Cb 0.21 -2.14 -0.19 0.00 0.03 0.00 0.00 46.19 44.11 1rkx s LEU 92 CO 0.34 0.10 1.42 0.58 0.23 0.00 0.00 176.35 179.02 1rkx h VAL 93 N 4.87 1.24 -0.25 -1.59 2.07 -1.98 -2.40 116.25 118.21 1rkx h VAL 93 Ca -0.39 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.43 1rkx h VAL 93 Cb 1.16 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 1rkx h VAL 93 CO 0.70 0.20 -0.37 -0.09 0.02 0.00 0.00 177.57 178.03 1rkx h ARG 94 N -0.33 -0.36 -0.62 1.57 2.43 -2.02 -1.21 114.38 113.83 1rkx h ARG 94 Ca -0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1rkx h ARG 94 Cb 0.33 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1rkx h ARG 94 CO 0.00 -0.24 0.41 1.25 -1.51 0.00 0.00 179.97 179.88 1rkx h LEU 95 N -0.38 0.63 -2.66 3.80 5.85 -1.98 -1.88 115.31 118.69 1rkx h LEU 95 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rkx h LEU 95 Cb 0.58 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1rkx h LEU 95 CO -0.45 0.43 0.01 0.77 -0.34 0.00 0.00 178.44 178.86 1rkx h SER 96 N 0.73 0.00 0.67 1.25 4.64 -0.68 0.21 113.55 120.37 1rkx h SER 96 Ca 0.25 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 1rkx h SER 96 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1rkx h SER 96 CO -0.07 0.00 -0.78 1.88 -0.87 0.00 0.00 176.83 176.99 1rkx h TYR 97 N 0.00 0.12 0.00 4.77 -1.99 -1.19 -2.25 116.97 116.42 1rkx h TYR 97 Ca 0.00 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1rkx h TYR 97 Cb 0.02 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1rkx h TYR 97 CO 0.00 0.83 -1.57 -1.13 -0.00 0.00 0.00 178.16 176.29 1rkx n SER 98 N -3.67 0.41 -3.14 3.88 3.41 -0.18 -4.52 113.62 109.80 1rkx n SER 98 Ca -0.02 0.16 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 1rkx n SER 98 Cb 0.74 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.84 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 -2.50 1.64 -0.20 4.33 1.02 0.57 -4.96 120.64 120.55 1rkx n GLU 99 Ca -0.04 -3.84 -0.07 0.00 -0.02 0.00 0.00 57.16 53.19 1rkx n GLU 99 Cb 0.61 -1.82 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 3.23 0.77 -0.21 3.49 0.13 -1.63 -2.44 132.00 135.34 1rkx h PRO 100 Ca 0.11 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1rkx h PRO 100 Cb 0.81 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1rkx h PRO 100 CO 0.60 0.57 0.07 0.28 -0.23 0.00 0.00 178.00 179.30 1rkx h VAL 101 N 0.76 0.95 -0.39 1.56 2.07 -1.93 -1.01 116.25 118.27 1rkx h VAL 101 Ca 0.20 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1rkx h VAL 101 Cb 0.00 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1rkx h VAL 101 CO -0.04 0.03 0.16 -0.33 0.02 0.00 0.00 177.57 177.42 1rkx h GLU 102 N 0.17 0.54 -0.16 1.57 3.07 -1.96 0.57 114.58 118.39 1rkx h GLU 102 Ca 0.09 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1rkx h GLU 102 Cb 0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1rkx h GLU 102 CO -0.09 0.45 0.03 1.15 -1.40 0.00 0.00 179.01 179.15 1rkx h THR 103 N 0.54 1.21 -0.39 1.13 2.02 -0.84 -0.40 112.91 116.19 1rkx h THR 103 Ca 0.14 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1rkx h THR 103 Cb 0.10 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1rkx h THR 103 CO -0.01 0.21 -0.06 1.88 0.37 0.00 0.00 175.52 177.90 1rkx h TYR 104 N 0.06 0.81 -0.44 3.16 -1.99 -0.81 0.74 116.97 118.50 1rkx h TYR 104 Ca 0.05 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 1rkx h TYR 104 Cb 0.29 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1rkx h TYR 104 CO 0.01 0.85 0.25 0.66 -0.00 0.00 0.00 178.16 179.93 1rkx h SER 105 N 0.54 0.54 0.03 3.88 4.64 -0.84 0.14 113.55 122.49 1rkx h SER 105 Ca 0.10 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rkx h SER 105 Cb 0.57 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rkx h SER 105 CO 0.03 0.47 -0.01 0.74 -0.87 0.00 0.00 176.83 177.19 1rkx h THR 106 N 0.58 1.30 0.07 2.95 2.02 -0.99 -1.19 112.91 117.64 1rkx h THR 106 Ca 0.16 -1.04 -0.26 0.00 0.77 0.00 0.00 66.41 66.04 1rkx h THR 106 Cb 0.04 2.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1rkx h THR 106 CO -0.03 0.27 -1.11 0.78 0.37 0.00 0.00 175.52 175.80 1rkx h ASN 107 N -0.49 0.52 0.00 4.18 2.35 -0.85 -2.75 115.58 118.54 1rkx h ASN 107 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1rkx h ASN 107 Cb 0.46 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1rkx h ASN 107 CO 0.01 1.32 -0.44 0.52 -1.65 0.00 0.00 177.43 177.19 1rkx n VAL 108 N -3.66 1.14 0.04 2.81 0.31 0.49 -3.74 118.33 115.72 1rkx n VAL 108 Ca -0.08 0.27 0.01 0.00 -0.01 0.00 0.00 64.34 64.52 1rkx n VAL 108 Cb 0.94 -2.21 0.33 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.80 0.43 -0.68 5.55 2.86 -1.28 -0.95 114.93 120.07 1rkx h MET 109 Ca 0.00 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 109 Cb 0.44 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1rkx h MET 109 CO 0.00 0.49 0.42 0.78 1.06 0.00 0.00 176.91 179.66 1rkx h GLY 110 N 0.80 0.98 1.03 8.32 0.00 -0.91 0.34 103.07 113.62 1rkx h GLY 110 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1rkx h GLY 110 CO 0.01 0.27 -0.06 -0.84 0.00 0.00 0.00 176.54 175.92 1rkx h THR 111 N 0.83 1.27 -0.26 4.70 2.02 -1.50 -1.58 112.91 118.38 1rkx h THR 111 Ca 0.27 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1rkx h THR 111 Cb 0.02 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1rkx h THR 111 CO -0.11 0.41 0.17 0.58 0.37 0.00 0.00 175.52 176.93 1rkx h VAL 112 N 0.75 1.05 -0.76 3.16 2.07 -0.29 -1.42 116.25 120.82 1rkx h VAL 112 Ca 0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1rkx h VAL 112 Cb 0.60 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1rkx h VAL 112 CO 0.04 0.06 0.41 1.88 0.02 0.00 0.00 177.57 179.98 1rkx h TYR 113 N 0.34 1.05 -0.05 1.57 0.99 -0.22 0.10 116.97 120.74 1rkx h TYR 113 Ca 0.10 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1rkx h TYR 113 Cb -0.03 -0.33 -0.00 0.00 1.00 0.00 0.00 36.73 37.36 1rkx h TYR 113 CO -0.07 0.73 0.01 1.25 -0.00 0.00 0.00 178.16 180.09 1rkx h LEU 114 N 1.07 0.08 -1.03 3.88 5.85 -0.97 -1.29 115.31 122.90 1rkx h LEU 114 Ca 0.27 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1rkx h LEU 114 Cb 0.04 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1rkx h LEU 114 CO -0.04 0.29 0.01 -0.07 -0.34 0.00 0.00 178.44 178.29 1rkx h LEU 115 N -0.15 0.67 -0.54 2.25 3.38 -1.06 -1.50 115.31 118.35 1rkx h LEU 115 Ca 0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1rkx h LEU 115 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1rkx h LEU 115 CO 0.00 0.73 0.05 -0.08 0.09 0.00 0.00 178.44 179.23 1rkx h GLU 116 N 0.66 0.93 -0.43 1.13 4.57 -0.87 -0.39 114.58 120.18 1rkx h GLU 116 Ca 0.14 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1rkx h GLU 116 Cb 0.40 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1rkx h GLU 116 CO 0.01 0.91 0.21 0.00 -1.18 0.00 0.00 179.01 178.97 1rkx h ALA 117 N 0.98 0.55 -0.84 2.92 0.00 -0.87 -2.02 119.26 119.98 1rkx h ALA 117 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rkx h ALA 117 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1rkx h ALA 117 CO 0.02 0.11 0.47 0.82 0.00 0.00 0.00 179.25 180.66 1rkx h ILE 118 N 0.55 1.24 -0.57 0.00 2.04 -1.07 0.27 117.51 119.99 1rkx h ILE 118 Ca 0.15 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1rkx h ILE 118 Cb 0.10 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1rkx h ILE 118 CO -0.02 0.27 0.33 -0.09 0.00 0.00 0.00 178.15 178.64 1rkx h ARG 119 N 1.16 0.63 0.15 2.37 2.43 -0.66 -2.21 114.38 118.25 1rkx h ARG 119 Ca 0.30 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.12 1rkx h ARG 119 Cb 0.02 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1rkx h ARG 119 CO -0.05 0.42 -1.48 0.45 -1.51 0.00 0.00 179.97 177.80 1rkx h HIS 120 N 0.65 0.59 -0.46 2.20 3.86 -1.04 -3.35 115.15 117.60 1rkx h HIS 120 Ca 0.23 -0.43 -0.09 0.00 -1.16 0.00 0.00 60.37 58.92 1rkx h HIS 120 Cb 0.06 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1rkx h HIS 120 CO -0.07 1.43 -0.08 0.28 0.86 0.00 0.00 177.93 180.35 1rkx h VAL 121 N 0.09 1.27 -0.86 2.45 2.07 -0.95 -3.49 116.25 116.82 1rkx h VAL 121 Ca -0.23 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.19 1rkx h VAL 121 Cb 2.04 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 1rkx h VAL 121 CO 0.19 0.41 -0.23 0.61 0.02 0.00 0.00 177.57 178.58 1rkx n GLY 122 N -0.25 -2.08 2.72 2.17 0.00 -0.83 -4.93 105.19 101.98 1rkx n GLY 122 Ca -0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.89 2.65 3.68 -0.02 0.00 -1.26 -4.91 105.19 102.44 1rkx n GLY 123 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.52 4.30 -0.11 1.61 1.01 -1.25 -4.56 120.40 118.87 1rkx s VAL 124 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.62 1rkx s VAL 124 Cb 0.00 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.11 1rkx s VAL 124 CO 0.00 -0.04 0.39 0.29 0.00 0.00 0.00 175.10 175.75 1rkx n LYS 125 N 5.53 0.70 -4.01 2.72 4.76 0.80 -3.93 118.16 124.74 1rkx n LYS 125 Ca 0.12 0.24 -0.17 0.00 -2.87 0.00 0.00 58.31 55.63 1rkx n LYS 125 Cb 0.46 -1.71 -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 0.37 -0.11 7.82 0.00 -0.84 -1.11 121.76 125.32 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 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.94 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 0.71 1.35 -0.30 0.00 1.01 -0.41 -0.81 120.40 121.96 1rkx s VAL 127 Ca -0.07 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1rkx s VAL 127 Cb -0.11 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1rkx s VAL 127 CO -0.01 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 1rkx s VAL 128 N 1.22 2.40 -0.36 2.92 1.01 0.36 -0.90 120.40 127.06 1rkx s VAL 128 Ca -0.03 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 1rkx s VAL 128 Cb -0.14 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1rkx s VAL 128 CO -0.04 -0.25 0.37 0.21 0.00 0.00 0.00 175.10 175.40 1rkx s ASN 129 N 1.12 6.18 -0.31 3.32 2.47 -0.08 -1.13 114.94 126.50 1rkx s ASN 129 Ca -0.02 -0.31 -0.29 0.00 0.42 0.00 0.00 52.86 52.66 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 0.00 177.10 173.38 1rkx s ILE 130 N 2.03 4.53 0.00 -5.21 1.09 -0.40 -1.32 121.20 121.93 1rkx s ILE 130 Ca 0.12 1.74 0.00 0.00 -1.10 0.00 0.00 60.65 61.41 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 0.12 -0.45 0.00 0.35 -0.10 0.00 0.00 174.94 174.86 1rkx n THR 131 N 5.82 0.00 -3.60 2.92 -2.24 -0.84 -4.79 114.28 111.55 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 -0.48 -0.14 0.42 3.42 0.15 -1.26 -4.89 113.70 110.93 1rkx s SER 132 Ca 0.00 0.03 0.29 0.00 0.70 0.00 0.00 55.95 56.98 1rkx s SER 132 Cb 0.00 0.14 1.15 0.00 -1.71 0.00 0.00 66.02 65.59 1rkx s SER 132 CO 0.00 -0.21 1.86 -2.24 1.20 0.00 0.00 173.24 173.85 1rkx h ASP 133 N 2.05 0.00 -0.17 5.45 2.03 -1.78 -2.82 116.42 121.18 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 -2.74 1.43 0.18 4.15 4.76 -1.26 -3.97 118.16 120.71 1rkx n LYS 134 Ca 0.02 -0.66 0.14 0.00 -2.87 0.00 0.00 58.31 54.93 1rkx n LYS 134 Cb 0.30 -1.20 0.46 0.00 -1.84 0.00 0.00 35.03 32.75 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 3.83 0.13 0.00 1.51 -1.25 -0.34 117.35 117.90 1rkx s TYR 136 Ca 0.06 1.83 -0.31 0.00 -1.01 0.00 0.00 57.07 57.63 1rkx s TYR 136 Cb 0.09 -3.09 -0.11 0.00 -0.11 0.00 0.00 41.96 38.74 1rkx s TYR 136 CO 0.53 0.08 1.84 -3.47 -1.11 0.00 0.00 175.55 173.43 1rkx n ASP 137 N 1.56 4.09 -4.62 2.29 2.03 0.16 -4.15 116.55 117.92 1rkx n ASP 137 Ca -0.01 0.99 -0.43 0.00 0.52 0.00 0.00 54.79 55.86 1rkx n ASP 137 Cb 0.46 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.29 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 2.72 6.68 0.00 1.67 3.84 -1.26 -4.87 114.94 123.72 1rkx s ASN 138 Ca 0.82 0.78 0.28 0.00 0.21 0.00 0.00 52.86 54.95 1rkx s ASN 138 Cb -0.47 -2.55 1.11 0.00 -0.55 0.00 0.00 41.25 38.80 1rkx s ASN 138 CO 0.37 -1.15 1.78 0.29 -2.79 0.00 0.00 177.10 175.60 1rkx n LYS 139 N 7.54 1.24 -3.83 0.43 4.76 -1.26 -4.96 118.16 122.08 1rkx n LYS 139 Ca 0.13 -0.62 -0.24 0.00 -2.87 0.00 0.00 58.31 54.71 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 -0.34 -3.89 -4.52 1.97 -0.58 -1.26 -4.99 120.64 107.03 1rkx n GLU 140 Ca 0.17 0.50 -0.25 0.00 -0.42 0.00 0.00 57.16 57.17 1rkx n GLU 140 Cb 0.31 -4.80 -0.09 0.00 -0.57 0.00 0.00 31.44 26.30 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 -3.81 1.86 -1.57 -0.32 -2.14 -1.26 -4.99 118.94 106.71 1rkx s TRP 141 Ca 0.02 -1.13 0.31 0.00 2.66 0.00 0.00 56.10 57.96 1rkx s TRP 141 Cb -0.01 -1.25 1.60 0.00 -3.10 0.00 0.00 33.47 30.71 1rkx s TRP 141 CO 0.85 -0.13 2.09 -0.89 -2.66 0.00 0.00 176.95 176.21 1rkx n ILE 142 N -0.87 0.00 -3.60 0.66 5.41 -1.26 -4.61 119.36 115.09 1rkx n ILE 142 Ca -0.06 -0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 1rkx n ILE 142 Cb 0.66 -0.48 -0.05 0.00 -0.71 0.00 0.00 39.64 39.05 1rkx n ILE 142 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1rkx s TRP 143 N -2.43 3.54 0.25 1.39 0.51 -1.26 -4.96 118.94 115.97 1rkx s TRP 143 Ca 0.33 0.71 -0.30 0.00 -2.12 0.00 0.00 56.10 54.73 1rkx s TRP 143 Cb 0.21 -2.11 -0.09 0.00 -0.81 0.00 0.00 33.47 30.67 1rkx s TRP 143 CO 0.44 0.48 1.09 0.20 -0.51 0.00 0.00 176.95 178.66 1rkx s GLY 144 N -2.00 3.01 0.37 0.98 0.00 -1.26 -4.64 107.32 103.78 1rkx s GLY 144 Ca 0.36 0.86 -0.26 0.00 0.00 0.00 0.00 44.72 45.69 1rkx s GLY 144 CO 0.20 1.53 1.13 -0.19 0.00 0.00 0.00 173.10 175.77 1rkx s TYR 145 N -0.93 3.22 0.08 1.90 1.51 -0.56 -4.17 117.35 118.41 1rkx s TYR 145 Ca 0.46 1.60 0.02 0.00 -1.01 0.00 0.00 57.07 58.13 1rkx s TYR 145 Cb -0.31 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 1rkx s TYR 145 CO 0.39 -1.01 0.17 1.03 -1.11 0.00 0.00 175.55 175.02 1rkx s ARG 146 N -2.16 3.23 0.64 -0.62 0.52 -1.26 -1.02 118.95 118.28 1rkx s ARG 146 Ca 0.54 -0.56 0.36 0.00 -0.52 0.00 0.00 55.73 55.55 1rkx s ARG 146 Cb -0.29 -2.91 1.98 0.00 0.52 0.00 0.00 34.95 34.25 1rkx s ARG 146 CO 0.37 0.58 2.18 0.93 0.02 0.00 0.00 175.30 179.38 1rkx h GLU 147 N 3.01 0.00 -0.19 3.54 3.07 -1.92 -2.09 114.58 120.00 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 0.71 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.59 1rkx n ASN 148 N -3.29 1.53 -4.92 1.42 6.94 -1.26 -4.93 115.26 110.75 1rkx n ASN 148 Ca -0.02 -1.76 -0.26 0.00 -0.02 0.00 0.00 54.58 52.52 1rkx n ASN 148 Cb 0.22 -0.12 0.01 0.00 -2.36 0.00 0.00 39.78 37.52 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 -1.75 3.29 0.37 -3.83 2.02 -0.79 -5.03 118.70 112.98 1rkx s GLU 149 Ca 0.29 -0.03 -0.27 0.00 0.02 0.00 0.00 54.97 54.97 1rkx s GLU 149 Cb 0.15 -2.41 -0.11 0.00 0.10 0.00 0.00 34.13 31.85 1rkx s GLU 149 CO 0.23 -0.30 1.31 0.00 0.02 0.00 0.00 175.26 176.51 1rkx n ALA 150 N -2.26 1.42 -2.28 5.21 0.00 -1.26 -4.91 120.51 116.43 1rkx n ALA 150 Ca 0.01 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1rkx n ALA 150 Cb 0.56 -2.28 -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 -1.99 3.73 0.00 0.00 -1.94 -1.26 -0.66 119.30 117.17 1rkx s MET 151 Ca 0.57 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 1rkx s MET 151 Cb -0.54 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1rkx s MET 151 CO 0.61 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 176.07 1rkx n GLY 152 N -1.22 -0.78 0.00 -0.03 0.00 0.54 -4.18 105.19 99.53 1rkx n GLY 152 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 4.21 0.14 -0.02 0.00 -1.26 -3.76 105.19 104.49 1rkx n GLY 153 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.24 -4.32 1.61 3.20 -1.90 -3.37 116.97 111.96 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 0.08 0.06 0.00 1.54 0.00 0.00 36.73 38.41 1rkx h TYR 154 CO 0.00 -0.15 0.39 0.16 -1.64 0.00 0.00 178.16 176.92 1rkx s ASP 155 N -5.00 5.92 0.31 -2.11 -4.77 -1.26 -4.83 116.67 104.91 1rkx s ASP 155 Ca -0.04 1.25 0.04 0.00 -3.30 0.00 0.00 52.55 50.50 1rkx s ASP 155 Cb 0.00 -2.22 0.64 0.00 -1.09 0.00 0.00 42.92 40.26 1rkx s ASP 155 CO 0.11 -1.03 1.84 -0.65 0.70 0.00 0.00 175.17 176.15 1rkx h PRO 156 N -0.40 0.87 0.62 2.11 0.11 -1.90 0.47 132.00 133.88 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 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1rkx h PRO 156 CO 0.63 0.57 -0.30 -0.92 -0.21 0.00 0.00 178.00 177.77 1rkx h TYR 157 N 0.89 -0.77 -0.48 0.65 3.20 -1.86 0.20 116.97 118.80 1rkx h TYR 157 Ca 0.49 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.40 1rkx h TYR 157 Cb 0.57 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1rkx h TYR 157 CO -0.00 -0.43 0.17 0.77 -1.64 0.00 0.00 178.16 177.03 1rkx h SER 158 N -1.02 0.18 -0.52 -2.11 0.02 -1.78 -1.92 113.55 106.40 1rkx h SER 158 Ca -0.08 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1rkx h SER 158 Cb 0.68 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1rkx h SER 158 CO 0.14 0.13 0.11 -1.13 -1.14 0.00 0.00 176.83 174.94 1rkx h ASN 159 N 0.35 0.84 0.20 3.07 -0.73 -0.87 -1.63 115.58 116.81 1rkx h ASN 159 Ca 0.23 -0.17 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 1rkx h ASN 159 Cb 0.23 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1rkx h ASN 159 CO -0.23 0.84 -0.22 0.77 -0.37 0.00 0.00 177.43 178.22 1rkx h SER 160 N 0.85 0.05 0.33 1.15 4.64 0.07 0.20 113.55 120.83 1rkx h SER 160 Ca 0.18 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.29 1rkx h SER 160 Cb 0.35 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1rkx h SER 160 CO 0.00 0.27 -0.80 0.11 -0.87 0.00 0.00 176.83 175.54 1rkx h LYS 161 N 0.05 0.37 -0.67 4.77 1.79 -0.63 0.30 116.57 122.54 1rkx h LYS 161 Ca 0.01 -0.34 -0.06 0.00 -2.18 0.00 0.00 60.65 58.08 1rkx h LYS 161 Cb 0.42 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1rkx h LYS 161 CO 0.03 1.00 0.19 0.78 -1.08 0.00 0.00 179.45 180.36 1rkx h GLY 162 N 1.35 1.13 1.06 3.86 0.00 -0.47 -1.58 103.07 108.43 1rkx h GLY 162 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1rkx h GLY 162 CO 0.14 0.64 0.14 0.00 0.00 0.00 0.00 176.54 177.46 1rkx h ALA 164 N 1.06 1.63 -0.16 0.00 0.00 -0.49 0.86 119.26 122.17 1rkx h ALA 164 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rkx h ALA 164 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rkx h ALA 164 CO 0.01 0.33 0.00 0.93 0.00 0.00 0.00 179.25 180.52 1rkx h GLU 165 N 0.64 0.28 -0.29 0.00 4.39 -0.91 -1.41 114.58 117.28 1rkx h GLU 165 Ca 0.17 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1rkx h GLU 165 Cb -0.04 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1rkx h GLU 165 CO -0.03 0.49 0.14 -0.07 -1.16 0.00 0.00 179.01 178.38 1rkx h LEU 166 N 0.03 0.20 -0.41 1.33 4.07 -0.76 -1.09 115.31 118.67 1rkx h LEU 166 Ca 0.05 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1rkx h LEU 166 Cb 0.36 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1rkx h LEU 166 CO 0.01 0.15 0.09 0.58 -1.08 0.00 0.00 178.44 178.19 1rkx h VAL 167 N 0.29 0.80 -0.75 1.22 2.07 -0.76 -0.71 116.25 118.41 1rkx h VAL 167 Ca 0.12 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1rkx h VAL 167 Cb 0.04 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1rkx h VAL 167 CO -0.09 0.04 0.35 0.74 0.02 0.00 0.00 177.57 178.64 1rkx h THR 168 N 0.22 1.24 -0.49 2.57 2.02 -0.96 -0.63 112.91 116.89 1rkx h THR 168 Ca 0.20 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1rkx h THR 168 Cb 0.23 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1rkx h THR 168 CO -0.25 0.29 0.31 -1.28 0.37 0.00 0.00 175.52 174.95 1rkx h SER 169 N 1.05 0.58 -0.34 4.18 0.87 -0.47 -1.12 113.55 118.30 1rkx h SER 169 Ca 0.26 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 1rkx h SER 169 Cb 0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1rkx h SER 169 CO -0.03 0.45 -0.19 -1.28 -0.53 0.00 0.00 176.83 175.25 1rkx h SER 170 N 0.66 0.76 -0.82 6.23 0.87 -0.85 -1.34 113.55 119.06 1rkx h SER 170 Ca 0.18 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1rkx h SER 170 Cb -0.03 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1rkx h SER 170 CO -0.03 1.01 0.47 1.88 -0.53 0.00 0.00 176.83 179.63 1rkx h TYR 171 N 0.51 1.10 0.02 2.24 -1.99 -0.99 0.16 116.97 118.02 1rkx h TYR 171 Ca 0.07 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 1rkx h TYR 171 Cb 0.74 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1rkx h TYR 171 CO 0.06 0.75 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.87 1rkx h ARG 172 N 1.13 -0.03 -0.78 4.88 2.43 -1.11 0.36 114.38 121.25 1rkx h ARG 172 Ca 0.29 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1rkx h ARG 172 Cb -0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1rkx h ARG 172 CO -0.05 0.14 0.36 -0.91 -1.51 0.00 0.00 179.97 178.00 1rkx h ASN 173 N -0.20 1.03 0.20 -3.80 -0.26 -0.96 0.51 115.58 112.10 1rkx h ASN 173 Ca -0.00 -0.13 -0.34 0.00 -0.56 0.00 0.00 56.30 55.26 1rkx h ASN 173 Cb 0.19 -0.26 0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1rkx h ASN 173 CO 0.01 0.88 -1.68 0.28 -1.06 0.00 0.00 177.43 175.85 1rkx h SER 174 N 1.11 0.65 0.00 5.81 0.02 -0.62 -3.38 113.55 117.15 1rkx h SER 174 Ca 0.27 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1rkx h SER 174 Cb 0.14 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1rkx h SER 174 CO -0.03 1.77 -0.75 0.49 -1.14 0.00 0.00 176.83 177.17 1rkx n PHE 175 N -3.64 0.00 -2.39 3.45 3.01 0.12 -4.73 117.46 113.28 1rkx n PHE 175 Ca -0.23 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.11 1rkx n PHE 175 Cb 1.07 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 40.56 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 -1.38 1.94 -1.76 1.38 3.01 -0.30 -4.97 117.46 115.38 1rkx n PHE 176 Ca -0.00 -2.12 -0.42 0.00 1.01 0.00 0.00 57.45 55.92 1rkx n PHE 176 Cb 0.03 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 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 -3.65 6.35 0.38 4.37 3.84 0.17 -4.71 114.94 121.69 1rkx s ASN 177 Ca 0.39 2.96 0.12 0.00 0.21 0.00 0.00 52.86 56.55 1rkx s ASN 177 Cb 0.37 -2.63 0.92 0.00 -0.55 0.00 0.00 41.25 39.36 1rkx s ASN 177 CO -0.00 -0.94 1.87 -0.65 -2.79 0.00 0.00 177.10 174.59 1rkx h PRO 178 N 5.01 0.56 0.00 0.43 0.11 -1.92 0.10 132.00 136.29 1rkx h PRO 178 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1rkx h PRO 178 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rkx h PRO 178 CO 0.81 0.37 -0.00 0.00 -0.21 0.00 0.00 178.00 178.97 1rkx h ALA 179 N 1.61 1.03 -0.15 -0.75 0.00 -1.98 -1.99 119.26 117.04 1rkx h ALA 179 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1rkx h ALA 179 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rkx h ALA 179 CO -0.19 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1rkx n ASN 180 N -3.13 2.81 -0.32 0.00 5.03 0.32 -4.73 115.26 115.24 1rkx n ASN 180 Ca -0.02 -2.58 0.15 0.00 0.87 0.00 0.00 54.58 53.00 1rkx n ASN 180 Cb 0.11 -0.32 0.37 0.00 -1.02 0.00 0.00 39.78 38.93 1rkx n ASN 180 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1rkx h TYR 181 N 0.93 0.92 0.00 3.10 3.20 -1.04 0.22 116.97 124.30 1rkx h TYR 181 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1rkx h TYR 181 Cb 0.94 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1rkx h TYR 181 CO 0.18 0.22 0.03 0.41 -1.64 0.00 0.00 178.16 177.37 1rkx n GLY 182 N -1.38 -0.73 0.26 1.82 0.00 -1.26 -0.16 105.19 103.73 1rkx n GLY 182 Ca 0.22 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 0.46 0.07 1.61 6.02 0.75 -4.76 117.38 119.53 1rkx n GLN 183 Ca -0.01 0.19 -0.15 0.00 -0.01 0.00 0.00 57.00 57.02 1rkx n GLN 183 Cb 0.06 -1.29 -0.14 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 -0.84 0.38 -0.55 1.08 2.07 -1.46 -3.48 115.15 112.35 1rkx h HIS 184 Ca -0.18 -0.28 -0.24 0.00 -2.85 0.00 0.00 60.37 56.83 1rkx h HIS 184 Cb 1.04 -0.02 -0.09 0.00 2.57 0.00 0.00 27.41 30.91 1rkx h HIS 184 CO -0.27 1.27 -0.22 0.41 -3.07 0.00 0.00 177.93 176.05 1rkx n GLY 185 N 1.57 1.26 3.50 6.13 0.00 0.77 -4.68 105.19 113.73 1rkx n GLY 185 Ca -0.11 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.38 4.37 -0.35 2.61 2.01 -1.25 -4.32 115.64 116.33 1rkx s THR 186 Ca 0.00 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 1rkx s THR 186 Cb 0.00 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1rkx s THR 186 CO 0.00 0.39 0.17 0.00 -0.69 0.00 0.00 174.62 174.49 1rkx s ALA 187 N 1.17 3.23 -0.16 7.40 0.00 -0.27 -4.88 121.76 128.25 1rkx s ALA 187 Ca 0.04 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 1rkx s ALA 187 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1rkx s ALA 187 CO 0.03 -1.27 -0.01 0.08 0.00 0.00 0.00 175.76 174.59 1rkx s VAL 188 N 1.54 4.13 0.12 0.00 1.01 -1.26 -1.28 120.40 124.66 1rkx s VAL 188 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1rkx s VAL 188 Cb -0.19 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1rkx s VAL 188 CO 0.06 0.48 -0.00 0.00 0.00 0.00 0.00 175.10 175.64 1rkx s ALA 189 N 0.38 1.00 0.12 5.51 0.00 -0.08 -3.62 121.76 125.07 1rkx s ALA 189 Ca -0.02 -1.44 0.11 0.00 0.00 0.00 0.00 51.96 50.60 1rkx s ALA 189 Cb -0.14 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1rkx s ALA 189 CO 0.02 -0.35 -0.27 0.95 0.00 0.00 0.00 175.76 176.11 1rkx s THR 190 N -3.80 2.23 -0.05 0.00 -4.23 -0.71 -0.90 115.64 108.18 1rkx s THR 190 Ca 0.19 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1rkx s THR 190 Cb 0.07 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 1rkx s THR 190 CO -0.01 0.10 -0.16 0.68 -0.54 0.00 0.00 174.62 174.70 1rkx s VAL 191 N -1.04 1.36 -0.18 2.29 -7.23 -0.43 -1.10 120.40 114.07 1rkx s VAL 191 Ca 0.14 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1rkx s VAL 191 Cb -0.10 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.67 1rkx s VAL 191 CO 0.06 0.40 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.93 1rkx s ARG 192 N 0.14 3.05 0.11 4.82 0.52 0.11 -1.98 118.95 125.72 1rkx s ARG 192 Ca -0.06 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 1rkx s ARG 192 Cb -0.12 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.79 1rkx s ARG 192 CO 0.02 -0.18 0.54 0.00 0.02 0.00 0.00 175.30 175.70 1rkx s ALA 193 N 1.26 -1.40 0.20 2.13 0.00 -1.26 -0.82 121.76 121.87 1rkx s ALA 193 Ca 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1rkx s ALA 193 Cb -0.13 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1rkx s ALA 193 CO -0.10 -0.64 0.34 0.41 0.00 0.00 0.00 175.76 175.77 1rkx n GLY 194 N -0.04 2.06 3.84 0.00 0.00 -1.26 -2.56 105.19 107.23 1rkx n GLY 194 Ca -0.17 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.60 -2.48 -4.72 1.61 3.02 -1.26 -4.68 115.26 105.15 1rkx n ASN 195 Ca -0.02 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.29 1rkx n ASN 195 Cb 0.32 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.67 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 -3.56 4.97 0.13 2.41 1.01 -1.26 -1.99 120.40 122.11 1rkx s VAL 196 Ca 0.28 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1rkx s VAL 196 Cb -0.14 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 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 0.65 1.15 0.00 2.22 -4.36 -0.23 -4.89 121.20 115.74 1rkx s ILE 197 Ca 0.39 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1rkx s ILE 197 Cb -0.19 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.86 1rkx s ILE 197 CO 0.20 -0.63 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1rkx n GLY 198 N 0.13 0.95 3.77 6.27 0.00 -1.26 -0.06 105.19 114.99 1rkx n GLY 198 Ca -0.13 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 2.83 0.00 -0.02 0.00 -1.26 -3.58 107.32 105.29 1rkx s GLY 199 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1rkx s GLY 199 CO 0.00 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.22 1rkx n GLY 200 N 0.55 0.76 3.44 0.20 0.00 -1.26 -5.04 105.19 103.83 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 -2.44 5.86 -0.26 1.61 2.15 -1.23 -3.64 116.67 118.72 1rkx s ASP 201 Ca 0.00 -0.79 0.13 0.00 0.43 0.00 0.00 52.55 52.31 1rkx s ASP 201 Cb 0.00 -2.08 0.61 0.00 -0.30 0.00 0.00 42.92 41.16 1rkx s ASP 201 CO 0.00 -0.35 1.58 0.79 -0.17 0.00 0.00 175.17 177.02 1rkx n TRP 202 N 5.06 1.55 -1.76 -5.34 8.01 -1.26 -4.69 117.44 119.01 1rkx n TRP 202 Ca -0.12 -1.14 -0.37 0.00 -1.31 0.00 0.00 57.50 54.56 1rkx n TRP 202 Cb 0.47 -0.49 0.07 0.00 -2.01 0.00 0.00 31.31 29.35 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 -2.98 2.40 0.43 6.99 0.00 -1.26 -4.94 121.76 122.41 1rkx s ALA 203 Ca 0.48 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.52 1rkx s ALA 203 Cb 0.39 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 1rkx s ALA 203 CO 0.09 -1.57 0.84 -0.51 0.00 0.00 0.00 175.76 174.61 1rkx s LEU 204 N -4.32 3.78 -1.31 0.00 1.43 -1.26 -4.34 118.68 112.66 1rkx s LEU 204 Ca 0.82 1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1rkx s LEU 204 Cb -0.37 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 1rkx s LEU 204 CO 0.40 -0.45 0.61 0.47 0.23 0.00 0.00 176.35 177.61 1rkx n ASP 205 N -1.33 -1.59 -3.99 2.29 8.00 -1.26 -5.00 116.55 113.67 1rkx n ASP 205 Ca 0.04 -0.92 -0.25 0.00 0.71 0.00 0.00 54.79 54.38 1rkx n ASP 205 Cb 0.54 -3.61 -0.17 0.00 -0.02 0.00 0.00 41.12 37.86 1rkx n ASP 205 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rkx s ARG 206 N -6.15 1.58 0.18 -1.24 0.52 -1.26 -5.06 118.95 107.52 1rkx s ARG 206 Ca 0.08 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1rkx s ARG 206 Cb -0.03 -1.38 0.12 0.00 0.52 0.00 0.00 34.95 34.18 1rkx s ARG 206 CO 0.85 -0.04 1.64 -0.84 0.02 0.00 0.00 175.30 176.92 1rkx h ILE 207 N 6.02 0.42 -0.02 1.52 3.07 -1.96 0.11 117.51 126.68 1rkx h ILE 207 Ca -0.31 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.10 1rkx h ILE 207 Cb 1.17 0.42 -0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1rkx h ILE 207 CO 0.46 0.00 0.01 0.58 -1.05 0.00 0.00 178.15 178.15 1rkx h VAL 208 N -0.09 1.09 -0.84 0.16 2.07 -1.99 0.12 116.25 116.77 1rkx h VAL 208 Ca 0.21 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1rkx h VAL 208 Cb 0.42 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1rkx h VAL 208 CO -0.51 0.07 0.54 -0.65 0.02 0.00 0.00 177.57 177.04 1rkx h PRO 209 N -0.07 1.12 -0.17 1.57 0.11 -1.76 -1.87 132.00 130.92 1rkx h PRO 209 Ca 0.01 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1rkx h PRO 209 Cb 0.10 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1rkx h PRO 209 CO -0.00 0.76 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.92 1rkx h ASP 210 N 1.15 0.28 -0.46 -2.05 3.32 -0.54 -0.83 116.42 117.28 1rkx h ASP 210 Ca 0.31 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1rkx h ASP 210 Cb -0.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1rkx h ASP 210 CO -0.06 0.48 0.04 0.40 -1.72 0.00 0.00 179.24 178.38 1rkx h ILE 211 N 0.26 1.26 -0.34 0.35 2.04 -0.09 -1.89 117.51 119.10 1rkx h ILE 211 Ca 0.05 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1rkx h ILE 211 Cb 0.49 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1rkx h ILE 211 CO 0.03 0.34 -0.13 -0.07 0.00 0.00 0.00 178.15 178.32 1rkx h LEU 212 N 0.65 0.59 -0.99 1.44 3.38 -0.88 -1.20 115.31 118.29 1rkx h LEU 212 Ca 0.14 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1rkx h LEU 212 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1rkx h LEU 212 CO 0.02 0.75 -0.12 0.03 0.09 0.00 0.00 178.44 179.20 1rkx h ARG 213 N 0.55 0.59 0.05 1.13 3.08 -0.90 0.27 114.38 119.15 1rkx h ARG 213 Ca 0.10 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1rkx h ARG 213 Cb 0.55 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1rkx h ARG 213 CO 0.03 0.70 -0.02 0.00 -1.07 0.00 0.00 179.97 179.61 1rkx h ALA 214 N 1.33 -0.06 -0.76 0.04 0.00 -0.88 -2.50 119.26 116.43 1rkx h ALA 214 Ca 0.10 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1rkx h ALA 214 Cb 0.53 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1rkx h ALA 214 CO 0.03 -0.30 0.45 0.74 0.00 0.00 0.00 179.25 180.17 1rkx h PHE 215 N -0.53 0.84 -0.60 0.00 0.05 -1.08 0.22 116.94 115.84 1rkx h PHE 215 Ca -0.01 0.03 0.12 0.00 3.82 0.00 0.00 57.97 61.93 1rkx h PHE 215 Cb 0.48 -0.27 -0.09 0.00 2.00 0.00 0.00 35.95 38.07 1rkx h PHE 215 CO 0.08 0.42 0.08 1.49 -0.18 0.00 0.00 178.31 180.19 1rkx h GLU 216 N 0.83 0.19 -0.64 1.51 4.81 -0.38 -0.59 114.58 120.31 1rkx h GLU 216 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1rkx h GLU 216 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1rkx h GLU 216 CO -0.17 0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.27 1rkx n GLN 217 N -5.19 4.00 -2.69 1.92 6.02 -0.82 -4.90 117.38 115.72 1rkx n GLN 217 Ca 0.09 -2.60 -0.15 0.00 -0.01 0.00 0.00 57.00 54.33 1rkx n GLN 217 Cb 0.33 -2.04 -0.00 0.00 1.02 0.00 0.00 30.24 29.55 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 0.67 -3.83 -4.83 1.08 7.64 -0.23 -4.94 113.62 109.19 1rkx n SER 218 Ca 0.23 0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 1rkx n SER 218 Cb 0.97 -3.23 -0.07 0.00 -1.01 0.00 0.00 64.21 60.87 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 -5.29 3.30 0.27 1.43 -1.52 0.67 -4.95 119.66 113.56 1rkx s GLN 219 Ca 0.11 -0.25 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1rkx s GLN 219 Cb -0.06 -3.06 -0.10 0.00 -0.22 0.00 0.00 33.01 29.58 1rkx s GLN 219 CO 0.13 0.74 1.44 -2.14 -0.25 0.00 0.00 175.29 175.21 1rkx s PRO 220 N -1.16 4.26 -0.14 2.91 0.02 -1.26 -4.03 135.00 135.59 1rkx s PRO 220 Ca 0.17 2.33 -0.27 0.00 0.02 0.00 0.00 61.00 63.25 1rkx s PRO 220 Cb -0.12 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1rkx s PRO 220 CO 0.06 -0.42 0.91 0.54 -0.33 0.00 0.00 177.00 177.76 1rkx s VAL 221 N -0.17 4.84 -0.01 3.83 0.11 -0.68 -4.84 120.40 123.48 1rkx s VAL 221 Ca 0.58 1.82 -0.25 0.00 -2.93 0.00 0.00 61.98 61.20 1rkx s VAL 221 Cb -0.42 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.17 1rkx s VAL 221 CO 0.46 0.02 0.76 -0.63 -3.33 0.00 0.00 175.10 172.37 1rkx s ILE 222 N 2.07 4.90 -0.10 7.04 1.01 -1.26 -1.53 121.20 133.34 1rkx s ILE 222 Ca 0.43 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1rkx s ILE 222 Cb -0.17 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1rkx s ILE 222 CO 0.15 0.29 -0.09 -0.63 0.00 0.00 0.00 174.94 174.65 1rkx s ILE 223 N 0.46 3.46 0.00 2.92 1.01 1.00 -4.95 121.20 125.11 1rkx s ILE 223 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1rkx s ILE 223 Cb -0.19 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1rkx s ILE 223 CO 0.21 0.56 0.00 0.54 0.00 0.00 0.00 174.94 176.25 1rkx n ARG 224 N 2.79 0.00 -3.33 2.79 3.00 -1.26 -4.40 116.66 116.25 1rkx n ARG 224 Ca -0.18 0.04 -0.46 0.00 -0.01 0.00 0.00 57.85 57.24 1rkx n ARG 224 Cb 0.53 -0.27 -0.04 0.00 0.00 0.00 0.00 32.46 32.68 1rkx n ARG 224 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1rkx s ASN 225 N -1.73 6.36 0.35 0.55 2.47 -1.26 -4.90 114.94 116.77 1rkx s ASN 225 Ca 0.00 -2.13 0.26 0.00 0.42 0.00 0.00 52.86 51.41 1rkx s ASN 225 Cb 0.00 -2.20 1.25 0.00 -1.45 0.00 0.00 41.25 38.85 1rkx s ASN 225 CO 0.00 -0.75 1.78 1.55 -3.72 0.00 0.00 177.10 175.96 1rkx h PRO 226 N 8.46 0.00 -0.01 0.43 0.13 -1.96 -2.50 132.00 136.55 1rkx h PRO 226 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1rkx h PRO 226 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rkx h PRO 226 CO 0.93 0.00 -0.62 0.72 -0.23 0.00 0.00 178.00 178.79 1rkx n HIS 227 N -2.40 0.00 -1.67 1.56 8.25 -1.26 -1.72 115.22 117.98 1rkx n HIS 227 Ca -0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1rkx n HIS 227 Cb 0.13 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 1rkx n HIS 227 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rkx n ALA 228 N -0.81 1.35 -2.55 -1.41 0.00 -0.94 -4.65 120.51 111.50 1rkx n ALA 228 Ca 0.07 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 1rkx n ALA 228 Cb 0.39 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 1rkx n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rkx s ILE 229 N 0.82 1.87 -0.06 0.00 1.01 -1.26 -1.17 121.20 122.41 1rkx s ILE 229 Ca 0.78 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 1rkx s ILE 229 Cb -0.68 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1rkx s ILE 229 CO 0.39 0.53 0.21 -0.13 0.00 0.00 0.00 174.94 175.93 1rkx s ARG 230 N -0.35 0.30 -1.08 2.79 1.81 -1.26 -4.83 118.95 116.33 1rkx s ARG 230 Ca 0.03 0.17 -0.19 0.00 -1.72 0.00 0.00 55.73 54.02 1rkx s ARG 230 Cb -0.11 0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.47 1rkx s ARG 230 CO 0.01 -0.05 2.00 -0.35 -0.68 0.00 0.00 175.30 176.23 1rkx n PRO 231 N 2.66 2.09 -1.89 3.54 -0.04 -1.26 -4.57 135.00 135.53 1rkx n PRO 231 Ca -0.15 -2.30 -0.39 0.00 -0.04 0.00 0.00 63.50 60.62 1rkx n PRO 231 Cb 0.58 -3.20 0.02 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.23 2.50 -0.11 0.54 0.52 -1.26 -4.62 118.94 121.74 1rkx s TRP 232 Ca 0.56 1.36 -0.16 0.00 0.02 0.00 0.00 56.10 57.88 1rkx s TRP 232 Cb 0.11 -3.77 0.04 0.00 -1.15 0.00 0.00 33.47 28.70 1rkx s TRP 232 CO 0.06 -2.61 0.42 1.14 0.02 0.00 0.00 176.95 175.98 1rkx s GLN 233 N -2.62 0.59 0.41 4.98 -2.07 -0.84 -4.74 119.66 115.38 1rkx s GLN 233 Ca 0.65 0.37 -0.26 0.00 -1.82 0.00 0.00 55.36 54.29 1rkx s GLN 233 Cb -0.40 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 31.72 1rkx s GLN 233 CO 0.49 -0.11 1.33 -1.58 -1.32 0.00 0.00 175.29 174.09 1rkx s HIS 234 N -0.29 2.76 0.49 9.60 5.65 -1.26 -1.07 115.29 131.16 1rkx s HIS 234 Ca -0.04 1.38 0.25 0.00 0.25 0.00 0.00 55.06 56.90 1rkx s HIS 234 Cb -0.03 -3.72 1.31 0.00 -1.18 0.00 0.00 32.58 28.96 1rkx s HIS 234 CO 0.02 -2.24 1.88 -0.24 -0.65 0.00 0.00 174.74 173.51 1rkx h VAL 235 N 2.45 0.61 0.00 0.89 3.04 -0.82 0.01 116.25 122.43 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 1.25 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1rkx h VAL 235 CO 0.62 0.03 -0.01 -0.07 -1.01 0.00 0.00 177.57 177.13 1rkx h LEU 236 N 0.17 0.00 0.84 3.16 3.38 -1.89 -3.08 115.31 117.88 1rkx h LEU 236 Ca 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 1rkx h LEU 236 Cb 1.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.20 1rkx h LEU 236 CO -0.08 0.01 -0.40 -0.33 0.09 0.00 0.00 178.44 177.73 1rkx h GLU 237 N 0.00 -1.08 -0.34 1.13 4.39 -1.34 -0.15 114.58 117.19 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 0.54 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1rkx h GLU 237 CO 0.00 -0.72 -0.09 -1.00 -1.16 0.00 0.00 179.01 176.04 1rkx h PRO 238 N -1.30 0.57 -0.80 2.33 0.13 -1.71 -2.62 132.00 128.61 1rkx h PRO 238 Ca -0.11 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1rkx h PRO 238 Cb 0.86 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1rkx h PRO 238 CO 0.19 0.66 0.53 -0.07 -0.23 0.00 0.00 178.00 179.08 1rkx h LEU 239 N 0.53 0.90 -1.21 1.56 4.07 -1.49 0.80 115.31 120.47 1rkx h LEU 239 Ca 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1rkx h LEU 239 Cb 0.48 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1rkx h LEU 239 CO 0.03 0.64 0.18 0.77 -1.08 0.00 0.00 178.44 178.97 1rkx h SER 240 N 1.05 0.67 -0.47 -0.43 4.64 -0.64 -0.71 113.55 117.66 1rkx h SER 240 Ca 0.30 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 1rkx h SER 240 Cb -0.06 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1rkx h SER 240 CO -0.08 0.62 -0.17 1.23 -0.87 0.00 0.00 176.83 177.57 1rkx h GLY 241 N 0.88 1.03 1.00 -0.77 0.00 -0.75 -1.32 103.07 103.14 1rkx h GLY 241 Ca 0.17 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1rkx h GLY 241 CO -0.01 0.81 0.39 -0.97 0.00 0.00 0.00 176.54 176.75 1rkx h TYR 242 N 0.80 0.88 -0.32 5.60 0.99 -0.25 -0.38 116.97 124.29 1rkx h TYR 242 Ca 0.11 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1rkx h TYR 242 Cb 0.73 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1rkx h TYR 242 CO 0.05 0.61 0.01 -0.07 -0.00 0.00 0.00 178.16 178.76 1rkx h LEU 243 N 0.90 0.54 -0.56 3.88 3.38 -1.03 -0.51 115.31 121.91 1rkx h LEU 243 Ca 0.24 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1rkx h LEU 243 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1rkx h LEU 243 CO -0.04 0.71 0.37 0.25 0.09 0.00 0.00 178.44 179.81 1rkx h LEU 244 N 0.35 0.64 -0.52 1.67 5.85 -1.02 -1.61 115.31 120.68 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 0.42 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1rkx h LEU 244 CO 0.01 0.46 0.19 0.25 -0.34 0.00 0.00 178.44 179.02 1rkx h LEU 245 N 0.76 0.73 -0.61 2.25 5.85 -0.94 -2.37 115.31 120.98 1rkx h LEU 245 Ca 0.21 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1rkx h LEU 245 Cb -0.09 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1rkx h LEU 245 CO -0.05 0.72 0.35 0.00 -0.34 0.00 0.00 178.44 179.12 1rkx h ALA 246 N 1.04 0.80 -0.52 1.25 0.00 -0.67 0.83 119.26 122.00 1rkx h ALA 246 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rkx h ALA 246 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rkx h ALA 246 CO -0.01 0.05 0.31 0.37 0.00 0.00 0.00 179.25 179.96 1rkx h GLN 247 N 0.67 0.70 -0.59 0.00 4.15 -1.10 -0.79 115.11 118.15 1rkx h GLN 247 Ca 0.26 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.51 1rkx h GLN 247 Cb 0.11 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1rkx h GLN 247 CO -0.15 0.52 -0.04 0.87 -1.93 0.00 0.00 178.83 178.10 1rkx h LYS 248 N 0.69 1.06 -0.84 1.69 1.57 -0.88 -0.19 116.57 119.68 1rkx h LYS 248 Ca 0.18 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1rkx h LYS 248 Cb -0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1rkx h LYS 248 CO -0.03 1.06 0.44 -0.07 -0.57 0.00 0.00 179.45 180.27 1rkx h LEU 249 N 0.96 1.07 0.32 2.94 3.38 -0.59 0.37 115.31 123.75 1rkx h LEU 249 Ca 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1rkx h LEU 249 Cb 0.60 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rkx h LEU 249 CO 0.04 0.87 -0.15 0.22 0.09 0.00 0.00 178.44 179.51 1rkx h TYR 250 N 1.18 -0.40 0.09 1.13 3.20 -0.79 -2.32 116.97 119.06 1rkx h TYR 250 Ca 0.29 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 1rkx h TYR 250 Cb 0.06 0.13 0.02 0.00 1.54 0.00 0.00 36.73 38.49 1rkx h TYR 250 CO 0.01 -0.07 -0.80 1.79 -1.64 0.00 0.00 178.16 177.46 1rkx h THR 251 N -0.80 1.45 0.07 1.81 1.35 -0.99 -3.39 112.91 112.40 1rkx h THR 251 Ca -0.04 -2.36 -0.34 0.00 -0.55 0.00 0.00 66.41 63.12 1rkx h THR 251 Cb 0.52 2.91 -0.03 0.00 -1.73 0.00 0.00 68.15 69.81 1rkx h THR 251 CO 0.07 0.68 -1.94 0.47 -0.25 0.00 0.00 175.52 174.55 1rkx n ASP 252 N -4.11 1.57 0.00 5.36 8.00 0.13 -5.08 116.55 122.41 1rkx n ASP 252 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1rkx n ASP 252 Cb 0.79 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.84 0.11 0.35 0.44 0.00 -0.87 -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 1.49 -0.47 4.61 0.00 -1.90 -2.32 119.26 120.67 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 -0.34 0.40 1.49 0.00 0.00 0.00 179.25 180.80 1rkx h GLU 255 N 0.00 0.00 -0.34 0.00 4.81 -1.95 -0.32 114.58 116.78 1rkx h GLU 255 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1rkx h GLU 255 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 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 -4.04 0.45 -1.91 0.92 4.02 -0.87 -4.83 117.16 110.90 1rkx n TYR 256 Ca 0.08 -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 39.90 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 0.93 4.72 -3.00 -0.72 0.00 -0.13 -4.74 120.51 117.56 1rkx n ALA 257 Ca 0.14 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1rkx n ALA 257 Cb 0.47 -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 6.84 0.00 -3.69 0.00 1.02 -1.24 -4.81 120.64 118.76 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 -0.46 2.28 -0.02 0.62 0.00 -1.26 -1.73 107.32 106.74 1rkx s GLY 259 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1rkx s GLY 259 CO 0.00 -0.34 0.01 -0.98 0.00 0.00 0.00 173.10 171.79 1rkx s TRP 260 N -1.38 0.21 0.02 1.90 0.52 -0.26 -4.94 118.94 115.02 1rkx s TRP 260 Ca 0.31 0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.29 1rkx s TRP 260 Cb -0.13 -0.31 -0.06 0.00 -1.15 0.00 0.00 33.47 31.81 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 0.86 6.91 -0.05 2.95 0.02 -1.26 0.07 114.94 124.44 1rkx s ASN 261 Ca -0.08 1.09 0.00 0.00 -1.02 0.00 0.00 52.86 52.85 1rkx s ASN 261 Cb -0.11 -2.30 0.02 0.00 0.02 0.00 0.00 41.25 38.88 1rkx s ASN 261 CO -0.02 0.27 -0.02 -0.36 0.02 0.00 0.00 177.10 176.99 1rkx s PHE 262 N -0.90 0.65 0.21 2.20 0.40 -0.00 -4.53 117.98 116.00 1rkx s PHE 262 Ca 0.26 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.21 1rkx s PHE 262 Cb -0.18 -0.67 0.06 0.00 0.51 0.00 0.00 43.02 42.74 1rkx s PHE 262 CO 0.16 -0.23 0.95 0.20 0.70 0.00 0.00 175.22 176.99 1rkx s GLY 263 N 1.29 -0.02 0.77 4.36 0.00 -1.26 -4.34 107.32 108.12 1rkx s GLY 263 Ca -0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.38 1rkx s GLY 263 CO -0.02 0.78 1.11 2.56 0.00 0.00 0.00 173.10 177.53 1rkx s PRO 264 N -2.80 1.98 0.13 2.90 0.04 -1.26 -4.81 135.00 131.17 1rkx s PRO 264 Ca 0.16 -0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 1rkx s PRO 264 Cb -0.03 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1rkx s PRO 264 CO 0.05 -1.49 1.09 -0.80 0.04 0.00 0.00 177.00 175.89 1rkx s ASN 265 N -4.57 7.27 0.60 6.66 0.01 -1.26 -4.90 114.94 118.74 1rkx s ASN 265 Ca 0.62 2.00 0.31 0.00 -0.71 0.00 0.00 52.86 55.08 1rkx s ASN 265 Cb -0.10 -2.59 1.80 0.00 0.41 0.00 0.00 41.25 40.77 1rkx s ASN 265 CO 0.47 -0.25 2.18 -0.78 -1.51 0.00 0.00 177.10 177.21 1rkx h ASP 266 N 5.63 0.00 0.46 -1.22 -0.00 -1.95 0.27 116.42 119.60 1rkx h ASP 266 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 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 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.98 1rkx h ALA 267 N 1.86 1.00 0.00 -0.78 0.00 -2.05 0.10 119.26 119.39 1rkx h ALA 267 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rkx h ALA 267 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rkx h ALA 267 CO -0.00 0.00 -0.34 -3.47 0.00 0.00 0.00 179.25 175.44 1rkx n ASP 268 N -2.70 0.61 -4.65 0.00 2.03 0.94 -4.91 116.55 107.88 1rkx n ASP 268 Ca -0.00 0.25 -0.56 0.00 0.52 0.00 0.00 54.79 55.00 1rkx n ASP 268 Cb 0.16 -0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.73 0.13 -3.25 -1.67 0.00 0.02 -4.79 120.51 109.23 1rkx n ALA 269 Ca 0.05 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.57 1rkx n ALA 269 Cb 0.41 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.40 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 4.32 0.85 1.10 0.00 2.01 -1.26 -5.07 115.64 117.58 1rkx s THR 270 Ca 1.01 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 1rkx s THR 270 Cb -1.02 -0.78 0.24 0.00 0.01 0.00 0.00 72.50 70.96 1rkx s THR 270 CO 0.62 0.28 1.06 -2.16 -0.69 0.00 0.00 174.62 173.73 1rkx s PRO 271 N 0.44 -0.41 0.13 4.92 0.04 -1.26 -4.37 135.00 134.49 1rkx s PRO 271 Ca -0.08 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 1rkx s PRO 271 Cb -0.12 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 1rkx s PRO 271 CO 0.01 -3.31 1.39 -0.39 0.04 0.00 0.00 177.00 174.74 1rkx h VAL 272 N -2.31 1.28 -0.62 -0.36 -1.51 -1.10 -2.88 116.25 108.74 1rkx h VAL 272 Ca -0.57 -1.79 0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1rkx h VAL 272 Cb 1.34 1.72 -0.07 0.00 -2.13 0.00 0.00 31.29 32.14 1rkx h VAL 272 CO 0.53 0.58 0.24 0.50 -1.23 0.00 0.00 177.57 178.19 1rkx h LYS 273 N 0.63 0.41 -0.59 5.19 3.64 -1.63 0.61 116.57 124.83 1rkx h LYS 273 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1rkx h LYS 273 Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1rkx h LYS 273 CO 0.13 0.27 0.28 -0.97 -2.27 0.00 0.00 179.45 176.89 1rkx h ASN 274 N 0.42 0.77 0.03 4.20 -0.00 -1.81 -1.22 115.58 117.97 1rkx h ASN 274 Ca 0.31 -0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.50 1rkx h ASN 274 Cb 0.39 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.48 1rkx h ASN 274 CO -0.31 0.69 -0.17 0.40 -0.00 0.00 0.00 177.43 178.03 1rkx h ILE 275 N 0.80 0.59 -0.60 2.57 2.04 -0.92 0.10 117.51 122.10 1rkx h ILE 275 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.11 1rkx h ILE 275 Cb 0.12 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1rkx h ILE 275 CO -0.03 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.03 1rkx h VAL 276 N -0.30 0.97 -0.59 1.67 2.07 -0.74 -0.53 116.25 118.79 1rkx h VAL 276 Ca 0.04 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1rkx h VAL 276 Cb 0.35 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1rkx h VAL 276 CO -0.14 0.11 0.38 -0.33 0.02 0.00 0.00 177.57 177.61 1rkx h GLU 277 N 0.61 0.76 -0.66 1.57 5.08 -0.75 0.85 114.58 122.03 1rkx h GLU 277 Ca 0.26 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1rkx h GLU 277 Cb 0.16 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1rkx h GLU 277 CO -0.17 0.50 0.11 1.96 -1.00 0.00 0.00 179.01 180.41 1rkx h GLN 278 N 0.78 1.09 -0.12 2.33 4.20 -0.39 -2.08 115.11 120.92 1rkx h GLN 278 Ca 0.22 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 1rkx h GLN 278 Cb -0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1rkx h GLN 278 CO -0.06 1.00 -0.43 0.52 -0.67 0.00 0.00 178.83 179.19 1rkx h MET 279 N 1.01 0.29 -0.67 1.46 2.86 -0.70 -1.08 114.93 118.10 1rkx h MET 279 Ca 0.20 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1rkx h MET 279 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1rkx h MET 279 CO 0.01 0.67 0.16 0.28 1.06 0.00 0.00 176.91 179.10 1rkx h VAL 280 N 0.24 1.26 -0.32 -2.22 2.07 -0.54 0.11 116.25 116.84 1rkx h VAL 280 Ca 0.02 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 1rkx h VAL 280 Cb 0.87 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1rkx h VAL 280 CO 0.07 0.36 -0.42 0.11 0.02 0.00 0.00 177.57 177.71 1rkx h LYS 281 N 1.02 0.79 -0.01 1.57 1.57 -1.03 -0.01 116.57 120.47 1rkx h LYS 281 Ca 0.21 -0.43 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1rkx h LYS 281 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1rkx h LYS 281 CO 0.00 1.06 -0.67 1.88 -0.57 0.00 0.00 179.45 181.15 1rkx h TYR 282 N 0.64 0.06 0.03 -1.35 0.99 -0.93 -3.31 116.97 113.10 1rkx h TYR 282 Ca 0.05 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1rkx h TYR 282 Cb 0.99 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.71 1rkx h TYR 282 CO 0.05 0.70 -0.01 2.35 -0.00 0.00 0.00 178.16 181.25 1rkx h TRP 283 N 0.03 -0.03 0.00 4.88 2.91 -0.68 -3.48 115.95 119.58 1rkx h TRP 283 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1rkx h TRP 283 Cb 1.19 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1rkx h TRP 283 CO 0.00 0.61 0.00 0.41 -1.03 0.00 0.00 178.44 178.44 1rkx n GLY 284 N 1.40 -1.79 2.49 2.65 0.00 -0.03 -4.95 105.19 104.96 1rkx n GLY 284 Ca -0.07 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1rkx n GLY 284 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkx n GLU 285 N 0.00 0.00 0.00 1.61 1.02 -1.26 -2.03 120.64 119.98 1rkx n GLU 285 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rkx n GLU 285 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1rkx n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rkx n GLY 286 N 1.43 0.87 3.11 0.62 0.00 -1.26 -5.09 105.19 104.88 1rkx n GLY 286 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 1.42 0.23 4.61 0.00 -0.86 -4.38 121.76 120.78 1rkx s ALA 287 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1rkx s ALA 287 Cb 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1rkx s ALA 287 CO 0.00 0.25 0.89 -1.54 0.00 0.00 0.00 175.76 175.37 1rkx s SER 288 N 0.08 -0.12 0.09 0.00 1.04 -1.26 -4.94 113.70 108.58 1rkx s SER 288 Ca -0.04 -0.65 -0.15 0.00 0.48 0.00 0.00 55.95 55.59 1rkx s SER 288 Cb -0.11 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1rkx s SER 288 CO 0.02 -1.17 0.37 -1.66 0.98 0.00 0.00 173.24 171.78 1rkx s TRP 289 N -3.00 -0.17 0.02 5.02 1.48 -1.26 -1.69 118.94 119.34 1rkx s TRP 289 Ca 0.15 -0.06 -0.02 0.00 -1.06 0.00 0.00 56.10 55.10 1rkx s TRP 289 Cb -0.03 0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 32.45 1rkx s TRP 289 CO 0.06 -0.62 0.01 -0.65 -4.06 0.00 0.00 176.95 171.69 1rkx s GLN 290 N -3.26 0.37 1.15 3.25 -1.52 -0.58 -4.89 119.66 114.18 1rkx s GLN 290 Ca -0.00 -0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 52.64 1rkx s GLN 290 Cb 0.01 0.14 0.27 0.00 -0.22 0.00 0.00 33.01 33.21 1rkx s GLN 290 CO -0.08 -0.07 1.13 -0.51 -0.25 0.00 0.00 175.29 175.51 1rkx s LEU 291 N -1.52 1.02 0.37 2.90 1.43 -1.26 -0.00 118.68 121.62 1rkx s LEU 291 Ca -0.14 0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1rkx s LEU 291 Cb -0.08 -2.45 -0.12 0.00 0.03 0.00 0.00 46.19 43.57 1rkx s LEU 291 CO -0.01 -3.86 1.02 -0.81 0.23 0.00 0.00 176.35 172.92 1rkx n PRO 297 N -4.58 1.40 -3.10 1.29 -0.04 -1.26 -4.68 135.00 124.03 1rkx n PRO 297 Ca 0.13 0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 63.76 1rkx n PRO 297 Cb 0.59 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 1rkx n PRO 297 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1rkx s HIS 298 N -1.20 3.37 -0.14 0.54 3.76 -1.26 -5.02 115.29 115.33 1rkx s HIS 298 Ca 0.61 1.26 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 1rkx s HIS 298 Cb -0.60 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.48 1rkx s HIS 298 CO 0.58 0.07 0.00 -1.21 -0.85 0.00 0.00 174.74 173.34 1rkx s GLU 299 N -3.00 3.56 0.39 1.40 2.02 -1.26 -4.99 118.70 116.81 1rkx s GLU 299 Ca 0.55 -0.43 0.20 0.00 0.02 0.00 0.00 54.97 55.31 1rkx s GLU 299 Cb -0.10 -2.97 0.74 0.00 0.10 0.00 0.00 34.13 31.91 1rkx s GLU 299 CO 0.17 0.39 1.76 0.00 0.02 0.00 0.00 175.26 177.60 1rkx h ALA 300 N 6.23 1.01 -2.85 5.21 0.00 -2.00 -3.46 119.26 123.39 1rkx h ALA 300 Ca -0.39 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1rkx h ALA 300 Cb 1.18 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1rkx h ALA 300 CO 0.63 0.41 -0.03 -3.38 0.00 0.00 0.00 179.25 176.88 1rkx s HIS 301 N -3.62 0.07 0.02 0.00 0.00 -1.26 -4.93 115.29 105.57 1rkx s HIS 301 Ca 0.00 -0.44 0.01 0.00 -3.00 0.00 0.00 55.06 51.63 1rkx s HIS 301 Cb 0.11 0.33 -0.02 0.00 -4.00 0.00 0.00 32.58 29.00 1rkx s HIS 301 CO 0.67 -0.96 -0.04 1.52 -1.00 0.00 0.00 174.74 174.94 1rkx s TYR 302 N -3.93 0.31 0.10 0.38 -0.85 -1.26 -5.05 117.35 107.04 1rkx s TYR 302 Ca 0.14 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 55.99 1rkx s TYR 302 Cb -0.01 -0.20 -0.09 0.00 0.38 0.00 0.00 41.96 42.03 1rkx s TYR 302 CO 0.02 -0.12 1.65 -1.17 -1.52 0.00 0.00 175.55 174.42 1rkx s LEU 303 N -1.12 4.37 0.16 -3.49 1.98 -1.26 -4.90 118.68 114.42 1rkx s LEU 303 Ca -0.11 2.56 -0.07 0.00 -2.89 0.00 0.00 54.13 53.63 1rkx s LEU 303 Cb -0.08 -3.57 -0.02 0.00 0.66 0.00 0.00 46.19 43.19 1rkx s LEU 303 CO -0.00 -0.89 0.24 -1.59 -1.89 0.00 0.00 176.35 172.21 1rkx s LYS 304 N 2.24 1.13 0.11 1.98 -2.85 -1.26 -4.65 119.74 116.43 1rkx s LYS 304 Ca 0.74 -1.26 0.10 0.00 -1.00 0.00 0.00 55.97 54.55 1rkx s LYS 304 Cb -0.42 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1rkx s LYS 304 CO 0.32 -0.40 -0.27 -0.51 0.10 0.00 0.00 175.35 174.60 1rkx s LEU 305 N -3.00 2.28 -0.30 2.77 1.43 -1.26 -1.49 118.68 119.11 1rkx s LEU 305 Ca 0.20 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1rkx s LEU 305 Cb 0.04 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1rkx s LEU 305 CO 0.01 0.20 0.43 -0.62 0.23 0.00 0.00 176.35 176.60 1rkx s ASP 306 N -1.83 6.29 -0.43 2.29 -1.08 -0.19 -4.69 116.67 117.03 1rkx s ASP 306 Ca 0.13 0.19 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 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 -0.29 1.69 0.00 0.52 0.00 0.00 175.17 177.15 1rkx h SER 308 N 1.39 0.53 0.08 0.00 0.02 -1.92 -2.68 113.55 110.96 1rkx h SER 308 Ca 0.45 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1rkx h SER 308 Cb 1.79 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1rkx h SER 308 CO 0.93 0.65 -0.04 0.50 -1.14 0.00 0.00 176.83 177.73 1rkx h LYS 309 N 0.51 -0.11 -0.77 3.45 3.64 -1.92 0.18 116.57 121.56 1rkx h LYS 309 Ca 0.10 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1rkx h LYS 309 Cb 0.45 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1rkx h LYS 309 CO 0.02 0.08 0.49 0.00 -2.27 0.00 0.00 179.45 177.78 1rkx h ALA 310 N 0.62 1.00 0.11 5.00 0.00 -1.78 0.14 119.26 124.35 1rkx h ALA 310 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rkx h ALA 310 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rkx h ALA 310 CO 0.02 0.32 -0.05 -0.22 0.00 0.00 0.00 179.25 179.32 1rkx h LYS 311 N 0.98 -0.15 -0.07 0.00 3.64 -1.33 -1.13 116.57 118.51 1rkx h LYS 311 Ca 0.30 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1rkx h LYS 311 Cb -0.03 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1rkx h LYS 311 CO -0.10 0.06 -0.13 0.52 -2.27 0.00 0.00 179.45 177.54 1rkx h MET 312 N -0.33 0.21 0.00 1.90 2.86 -0.80 -1.75 114.93 117.02 1rkx h MET 312 Ca -0.02 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1rkx h MET 312 Cb 0.27 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1rkx h MET 312 CO 0.03 0.71 -1.12 1.96 1.06 0.00 0.00 176.91 179.54 1rkx h GLN 313 N -0.27 0.00 0.00 1.72 4.20 -0.83 -3.38 115.11 116.55 1rkx h GLN 313 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rkx h GLN 313 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1rkx h GLN 313 CO 0.03 0.24 -1.11 1.28 -0.67 0.00 0.00 178.83 178.60 1rkx n LEU 314 N -2.90 0.24 -0.60 1.46 4.77 -0.48 -4.97 117.00 114.52 1rkx n LEU 314 Ca -0.05 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.64 1rkx n LEU 314 Cb 0.75 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1rkx n LEU 314 CO 0.42 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 1rkx n GLY 315 N 1.58 0.78 3.83 -0.72 0.00 -0.66 -4.99 105.19 105.01 1rkx n GLY 315 Ca -0.00 -0.70 -0.33 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 -2.28 3.30 -0.28 1.61 -0.00 -0.90 -4.96 118.94 115.42 1rkx s TRP 316 Ca 0.00 1.52 -0.21 0.00 -0.00 0.00 0.00 56.10 57.40 1rkx s TRP 316 Cb 0.00 -2.87 0.12 0.00 -0.00 0.00 0.00 33.47 30.72 1rkx s TRP 316 CO 0.00 -0.48 0.93 -3.38 -0.00 0.00 0.00 176.95 174.01 1rkx s HIS 317 N -2.44 -0.63 0.81 5.86 -3.43 -1.26 -4.02 115.29 110.19 1rkx s HIS 317 Ca 0.61 1.40 -0.12 0.00 -0.80 0.00 0.00 55.06 56.15 1rkx s HIS 317 Cb -0.11 0.38 0.08 0.00 -1.43 0.00 0.00 32.58 31.51 1rkx s HIS 317 CO 0.27 -0.31 1.14 -1.25 -2.00 0.00 0.00 174.74 172.60 1rkx s PRO 318 N 0.76 1.76 -0.02 -0.38 0.04 -1.26 -4.98 135.00 130.92 1rkx s PRO 318 Ca -0.03 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1rkx s PRO 318 Cb -0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1rkx s PRO 318 CO -0.10 -2.07 0.04 0.54 0.04 0.00 0.00 177.00 175.46 1rkx n ARG 319 N -3.54 1.83 -5.17 4.56 1.74 -1.26 -5.03 116.66 109.79 1rkx n ARG 319 Ca 0.11 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1rkx n ARG 319 Cb 0.52 -1.07 -0.16 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.14 2.56 1.03 -1.55 0.51 -1.26 -5.05 118.94 113.03 1rkx s TRP 320 Ca -0.01 -0.85 -0.16 0.00 -2.12 0.00 0.00 56.10 52.96 1rkx s TRP 320 Cb 0.01 -1.69 0.21 0.00 -0.81 0.00 0.00 33.47 31.20 1rkx s TRP 320 CO 0.12 -0.30 1.17 0.54 -0.51 0.00 0.00 176.95 177.98 1rkx s ASN 321 N 0.12 2.43 0.12 2.95 2.20 -1.26 -4.80 114.94 116.70 1rkx s ASN 321 Ca -0.11 0.68 -0.18 0.00 -0.94 0.00 0.00 52.86 52.30 1rkx s ASN 321 Cb -0.16 -1.00 -0.04 0.00 -2.00 0.00 0.00 41.25 38.05 1rkx s ASN 321 CO 0.06 -3.19 1.69 0.25 -2.94 0.00 0.00 177.10 172.97 1rkx h LEU 322 N -1.94 0.40 -0.43 3.54 5.85 -1.91 -2.32 115.31 118.50 1rkx h LEU 322 Ca -0.47 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.20 1rkx h LEU 322 Cb 1.29 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1rkx h LEU 322 CO 0.46 0.42 -0.07 0.78 -0.34 0.00 0.00 178.44 179.69 1rkx h ASN 323 N 0.36 -0.33 -0.32 1.25 -0.26 -1.96 0.35 115.58 114.67 1rkx h ASN 323 Ca 0.10 0.12 0.04 0.00 -0.56 0.00 0.00 56.30 56.00 1rkx h ASN 323 Cb 0.13 0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 1rkx h ASN 323 CO -0.01 -0.12 0.11 0.74 -1.06 0.00 0.00 177.43 177.09 1rkx h THR 324 N 0.03 0.91 -0.40 2.81 2.02 -1.90 -1.17 112.91 115.21 1rkx h THR 324 Ca 0.21 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1rkx h THR 324 Cb 0.32 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1rkx h THR 324 CO -0.42 0.05 0.23 0.74 0.37 0.00 0.00 175.52 176.49 1rkx h THR 325 N 0.25 1.04 -0.39 3.16 2.02 -0.58 -1.89 112.91 116.53 1rkx h THR 325 Ca 0.14 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1rkx h THR 325 Cb 0.11 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1rkx h THR 325 CO -0.15 0.09 0.10 -0.07 0.37 0.00 0.00 175.52 175.86 1rkx h LEU 326 N 0.48 0.52 -0.43 2.58 3.38 -0.03 -1.00 115.31 120.80 1rkx h LEU 326 Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1rkx h LEU 326 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rkx h LEU 326 CO -0.08 0.52 0.16 -0.08 0.09 0.00 0.00 178.44 179.05 1rkx h GLU 327 N 0.56 0.66 -0.47 1.13 4.81 -0.64 -1.85 114.58 118.78 1rkx h GLU 327 Ca 0.13 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rkx h GLU 327 Cb 0.21 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1rkx h GLU 327 CO -0.00 0.62 0.04 1.88 -0.73 0.00 0.00 179.01 180.82 1rkx h TYR 328 N 0.56 0.79 0.29 0.92 -1.99 -0.74 -1.95 116.97 114.85 1rkx h TYR 328 Ca 0.14 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1rkx h TYR 328 Cb 0.22 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1rkx h TYR 328 CO 0.01 0.72 -0.14 0.82 -0.00 0.00 0.00 178.16 179.56 1rkx h ILE 329 N 0.71 0.73 -0.80 -2.88 1.08 -0.82 0.42 117.51 115.96 1rkx h ILE 329 Ca 0.15 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1rkx h ILE 329 Cb 0.38 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1rkx h ILE 329 CO 0.01 0.03 0.47 0.58 -0.69 0.00 0.00 178.15 178.55 1rkx h VAL 330 N -0.46 1.23 -0.20 1.67 2.07 -1.32 -1.64 116.25 117.60 1rkx h VAL 330 Ca -0.04 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1rkx h VAL 330 Cb 0.35 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1rkx h VAL 330 CO 0.07 0.24 0.13 1.23 0.02 0.00 0.00 177.57 179.25 1rkx h GLY 331 N 1.10 0.29 0.79 2.17 0.00 -1.10 -1.87 103.07 104.44 1rkx h GLY 331 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1rkx h GLY 331 CO -0.05 0.11 0.22 -0.25 0.00 0.00 0.00 176.54 176.57 1rkx h TRP 332 N 0.26 0.40 0.41 5.60 7.01 -0.60 -2.05 115.95 126.97 1rkx h TRP 332 Ca 0.07 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1rkx h TRP 332 Cb -0.01 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1rkx h TRP 332 CO -0.06 0.21 -0.20 1.25 -2.79 0.00 0.00 178.44 176.85 1rkx h HIS 333 N 0.44 -0.51 0.00 2.65 2.76 -1.02 -1.83 115.15 117.64 1rkx h HIS 333 Ca 0.18 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1rkx h HIS 333 Cb 0.08 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 1rkx h HIS 333 CO -0.10 -0.29 -0.09 1.57 -1.30 0.00 0.00 177.93 177.73 1rkx h LYS 334 N -0.61 0.00 -0.40 5.26 2.10 -1.28 0.95 116.57 122.59 1rkx h LYS 334 Ca -0.06 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.46 1rkx h LYS 334 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1rkx h LYS 334 CO 0.09 0.09 -0.29 -0.91 -2.00 0.00 0.00 179.45 176.43 1rkx h ASN 335 N 0.00 0.90 -0.33 7.07 4.21 -1.18 -0.08 115.58 126.17 1rkx h ASN 335 Ca -0.00 -0.36 -0.02 0.00 1.21 0.00 0.00 56.30 57.13 1rkx h ASN 335 Cb 0.16 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1rkx h ASN 335 CO 0.01 1.12 0.12 -0.25 -1.29 0.00 0.00 177.43 177.14 1rkx h TRP 336 N 0.73 0.51 -0.44 1.19 7.01 -0.23 0.16 115.95 124.87 1rkx h TRP 336 Ca 0.08 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1rkx h TRP 336 Cb 0.84 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1rkx h TRP 336 CO 0.05 0.49 0.17 -0.07 -2.79 0.00 0.00 178.44 176.29 1rkx h LEU 337 N 0.37 0.57 -0.53 0.65 3.38 -0.68 -2.21 115.31 116.86 1rkx h LEU 337 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rkx h LEU 337 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1rkx h LEU 337 CO -0.01 0.53 0.00 0.77 0.09 0.00 0.00 178.44 179.82 1rkx h SER 338 N 0.63 0.00 0.00 -0.43 4.64 -0.73 -3.47 113.55 114.19 1rkx h SER 338 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1rkx h SER 338 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1rkx h SER 338 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1rkx n GLY 339 N 0.62 1.07 3.73 -0.77 0.00 -0.83 -5.08 105.19 103.93 1rkx n GLY 339 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.77 4.96 -2.11 2.61 -1.04 0.51 -4.87 114.28 112.57 1rkx n THR 340 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 1rkx n THR 340 Cb 0.00 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 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 -1.36 5.71 0.07 8.00 -1.08 -1.26 -4.71 116.67 122.03 1rkx s ASP 341 Ca 0.83 0.70 0.24 0.00 -0.52 0.00 0.00 52.55 53.79 1rkx s ASP 341 Cb -0.38 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.51 1rkx s ASP 341 CO 0.40 -1.97 1.75 0.23 0.52 0.00 0.00 175.17 176.11 1rkx n MET 342 N 8.75 0.07 0.01 4.34 2.81 -1.26 -1.64 117.12 130.20 1rkx n MET 342 Ca 0.20 0.16 -0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1rkx n MET 342 Cb 0.49 -1.60 -0.09 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.09 -0.57 2.03 -0.00 -1.76 -1.57 115.15 113.19 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 0.46 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1rkx h HIS 343 CO 0.00 0.44 -0.07 0.93 -0.00 0.00 0.00 177.93 179.23 1rkx h GLU 344 N -0.72 1.05 -0.64 5.26 4.39 -1.88 -2.16 114.58 119.88 1rkx h GLU 344 Ca -0.01 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.33 1rkx h GLU 344 Cb 0.58 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1rkx h GLU 344 CO 0.02 1.06 0.42 -0.92 -1.16 0.00 0.00 179.01 178.43 1rkx h TYR 345 N 0.94 0.80 -0.31 4.33 3.20 -1.36 -1.07 116.97 123.49 1rkx h TYR 345 Ca 0.15 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1rkx h TYR 345 Cb 0.64 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1rkx h TYR 345 CO 0.04 0.51 -0.17 0.77 -1.64 0.00 0.00 178.16 177.67 1rkx h SER 346 N 0.86 0.55 -0.52 -2.11 0.02 -1.14 -1.09 113.55 110.13 1rkx h SER 346 Ca 0.23 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1rkx h SER 346 Cb -0.10 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1rkx h SER 346 CO -0.05 0.74 0.10 0.40 -1.14 0.00 0.00 176.83 176.87 1rkx h ILE 347 N 0.50 1.25 -0.42 3.27 1.08 -0.86 -1.73 117.51 120.60 1rkx h ILE 347 Ca 0.08 -0.92 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 1rkx h ILE 347 Cb 0.59 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1rkx h ILE 347 CO 0.04 0.33 0.01 0.74 -0.69 0.00 0.00 178.15 178.58 1rkx h THR 348 N 0.73 1.22 -0.65 -0.27 2.02 -0.85 -1.12 112.91 114.00 1rkx h THR 348 Ca 0.16 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1rkx h THR 348 Cb 0.38 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1rkx h THR 348 CO 0.01 0.31 0.28 -0.08 0.37 0.00 0.00 175.52 176.41 1rkx h GLU 349 N 0.64 0.95 -0.72 6.66 4.81 -0.75 0.21 114.58 126.38 1rkx h GLU 349 Ca 0.13 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 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 0.78 0.32 0.82 -0.73 0.00 0.00 179.01 180.21 1rkx h ILE 350 N 0.90 1.24 -0.58 2.32 2.04 -0.83 -1.28 117.51 121.33 1rkx h ILE 350 Ca 0.22 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1rkx h ILE 350 Cb 0.17 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1rkx h ILE 350 CO -0.02 0.30 0.17 0.78 0.00 0.00 0.00 178.15 179.37 1rkx h ASN 351 N 1.03 0.85 -0.98 1.72 2.35 -0.54 -0.91 115.58 119.10 1rkx h ASN 351 Ca 0.24 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1rkx h ASN 351 Cb 0.17 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1rkx h ASN 351 CO -0.03 0.85 0.64 0.78 -1.65 0.00 0.00 177.43 178.03 1rkx h ASN 352 N 0.82 1.09 0.14 5.81 -0.26 -0.20 0.02 115.58 123.00 1rkx h ASN 352 Ca 0.18 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1rkx h ASN 352 Cb 0.31 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1rkx h ASN 352 CO -0.00 0.76 -0.07 0.22 -1.06 0.00 0.00 177.43 177.28 1rkx h TYR 353 N 1.27 -0.18 -0.38 1.19 3.20 -0.80 -1.77 116.97 119.50 1rkx h TYR 353 Ca 0.38 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1rkx h TYR 353 Cb -0.06 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1rkx h TYR 353 CO -0.00 0.10 0.23 0.52 -1.64 0.00 0.00 178.16 177.37 1rkx h MET 354 N -0.46 0.51 0.00 1.82 2.86 -0.87 -2.09 114.93 116.70 1rkx h MET 354 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1rkx h MET 354 Cb 0.36 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1rkx h MET 354 CO 0.03 0.36 -0.17 0.09 1.06 0.00 0.00 176.91 178.29 1rkx n ASN 355 N -4.46 0.28 -4.62 1.22 3.02 -0.03 -4.81 115.26 105.86 1rkx n ASN 355 Ca 0.03 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 1rkx n ASN 355 Cb 0.08 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -3.02 3.19 0.00 3.41 2.01 -0.67 -5.07 115.64 115.48 1rkx s THR 356 Ca 0.12 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1rkx s THR 356 Cb 0.17 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1rkx s THR 356 CO 0.59 -0.11 0.00 0.29 -0.69 0.00 0.00 174.62 174.70