#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nix h ASP 7 N 0.00 -0.43 -3.45 -1.34 3.32 -1.35 -3.06 116.42 110.11 3nix h ASP 7 Ca 0.00 -0.06 -0.68 0.00 0.02 0.00 0.00 57.03 56.31 3nix h ASP 7 Cb 0.00 0.11 -0.33 0.00 0.22 0.00 0.00 39.33 39.34 3nix h ASP 7 CO 0.00 0.02 -0.88 -0.69 -1.72 0.00 0.00 179.24 175.97 3nix s VAL 8 N -3.50 2.09 -0.42 -1.35 1.01 -0.39 -0.75 120.40 117.08 3nix s VAL 8 Ca -0.10 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 3nix s VAL 8 Cb 0.01 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.64 3nix s VAL 8 CO 0.31 0.56 0.31 -0.22 0.00 0.00 0.00 175.10 176.07 3nix s LEU 9 N 0.26 5.21 -0.41 3.92 2.96 0.78 -2.43 118.68 128.97 3nix s LEU 9 Ca -0.16 -1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 52.50 3nix s LEU 9 Cb -0.17 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.39 3nix s LEU 9 CO 0.08 -0.50 0.54 -0.69 -1.32 0.00 0.00 176.35 174.46 3nix s VAL 10 N 1.64 4.96 -0.22 1.68 1.01 -0.26 -1.77 120.40 127.44 3nix s VAL 10 Ca 0.04 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3nix s VAL 10 Cb -0.21 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3nix s VAL 10 CO 0.08 -0.44 0.64 -0.63 0.00 0.00 0.00 175.10 174.76 3nix s ILE 11 N 2.48 4.99 0.00 2.22 1.01 -0.81 -1.73 121.20 129.37 3nix s ILE 11 Ca 0.18 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3nix s ILE 11 Cb -0.15 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3nix s ILE 11 CO 0.16 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3nix n GLY 12 N 3.93 2.06 1.12 6.18 0.00 -0.23 -0.91 105.19 117.34 3nix n GLY 12 Ca -0.01 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 3nix n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nix n ALA 13 N 2.47 4.28 -1.20 4.61 0.00 -1.26 -4.24 120.51 125.17 3nix n ALA 13 Ca 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 53.44 50.10 3nix n ALA 13 Cb 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 19.45 18.90 3nix n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 14 N -1.09 -1.89 0.37 0.00 0.00 -1.26 -4.55 105.19 96.77 3nix n GLY 14 Ca 0.31 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.89 3nix n GLY 14 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3nix h PRO 15 N 0.00 0.44 -0.23 1.61 0.11 -1.93 0.30 132.00 132.30 3nix h PRO 15 Ca -0.16 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.78 3nix h PRO 15 Cb 0.46 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3nix h PRO 15 CO 0.11 0.29 -0.40 0.00 -0.21 0.00 0.00 178.00 177.79 3nix h ALA 16 N 1.66 0.36 -0.17 -0.75 0.00 -1.88 -2.63 119.26 115.85 3nix h ALA 16 Ca 0.34 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3nix h ALA 16 Cb 0.69 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3nix h ALA 16 CO -0.11 0.47 -0.69 0.78 0.00 0.00 0.00 179.25 179.70 3nix h GLY 17 N 0.40 0.85 1.00 0.00 0.00 -1.51 -2.55 103.07 101.26 3nix h GLY 17 Ca 0.02 -1.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.11 3nix h GLY 17 CO 0.09 1.03 0.02 -0.91 0.00 0.00 0.00 176.54 176.78 3nix h THR 18 N 0.50 1.26 -0.31 4.70 1.35 -0.50 -0.16 112.91 119.75 3nix h THR 18 Ca -0.04 -1.03 -0.17 0.00 -0.55 0.00 0.00 66.41 64.62 3nix h THR 18 Cb 1.32 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3nix h THR 18 CO 0.15 0.36 -0.46 0.58 -0.25 0.00 0.00 175.52 175.90 3nix h VAL 19 N 0.71 1.28 0.20 6.82 2.07 -1.56 -2.53 116.25 123.23 3nix h VAL 19 Ca 0.14 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3nix h VAL 19 Cb 0.48 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3nix h VAL 19 CO 0.02 0.54 -0.12 0.00 0.02 0.00 0.00 177.57 178.03 3nix h ALA 20 N 0.70 -0.30 -0.77 1.67 0.00 -1.37 -2.88 119.26 116.32 3nix h ALA 20 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3nix h ALA 20 Cb 1.06 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3nix h ALA 20 CO 0.11 -0.68 0.51 0.00 0.00 0.00 0.00 179.25 179.19 3nix h ALA 21 N 0.49 1.50 -0.07 0.00 0.00 -1.02 -2.12 119.26 118.04 3nix h ALA 21 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3nix h ALA 21 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3nix h ALA 21 CO 0.02 0.45 -0.67 0.66 0.00 0.00 0.00 179.25 179.71 3nix h SER 22 N 0.99 0.33 -0.25 0.00 4.64 -1.33 -0.08 113.55 117.84 3nix h SER 22 Ca 0.29 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3nix h SER 22 Cb -0.04 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3nix h SER 22 CO -0.07 0.90 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.34 3nix h LEU 23 N 0.20 0.76 -0.44 5.97 3.38 -1.29 0.21 115.31 124.11 3nix h LEU 23 Ca -0.02 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.48 3nix h LEU 23 Cb 1.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3nix h LEU 23 CO 0.11 1.13 0.21 0.58 0.09 0.00 0.00 178.44 180.55 3nix h VAL 24 N 0.42 0.94 -0.38 1.22 2.07 -1.32 -2.78 116.25 116.41 3nix h VAL 24 Ca 0.02 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 3nix h VAL 24 Cb 0.97 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3nix h VAL 24 CO 0.09 0.08 -0.19 -1.13 0.02 0.00 0.00 177.57 176.43 3nix h ASN 25 N 0.41 0.73 -0.35 0.57 -0.00 -0.83 -2.54 115.58 113.56 3nix h ASN 25 Ca 0.20 -0.24 0.10 0.00 -0.00 0.00 0.00 56.30 56.36 3nix h ASN 25 Cb 0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.23 3nix h ASN 25 CO -0.15 0.91 0.34 0.50 -0.00 0.00 0.00 177.43 179.02 3nix h LYS 26 N 0.64 0.00 -0.78 6.67 3.64 -0.30 -1.70 116.57 124.74 3nix h LYS 26 Ca 0.10 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.24 3nix h LYS 26 Cb 0.67 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.35 3nix h LYS 26 CO 0.05 0.00 0.30 0.43 -2.27 0.00 0.00 179.45 177.96 3nix n SER 27 N -3.93 4.76 0.00 4.20 7.64 -0.96 -4.94 113.62 120.40 3nix n SER 27 Ca 0.06 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.72 3nix n SER 27 Cb 0.50 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3nix n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nix n GLY 28 N -0.19 2.61 3.82 0.23 0.00 -0.64 -5.00 105.19 106.02 3nix n GLY 28 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3nix n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 29 N -2.29 3.25 -0.38 1.61 0.40 -1.23 -4.99 117.98 114.35 3nix s PHE 29 Ca 0.00 1.53 -0.25 0.00 -0.60 0.00 0.00 56.93 57.61 3nix s PHE 29 Cb 0.00 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.65 3nix s PHE 29 CO 0.00 -0.53 0.88 0.21 0.70 0.00 0.00 175.22 176.49 3nix s LYS 30 N -3.69 3.79 -0.02 0.44 2.20 -1.26 -4.36 119.74 116.83 3nix s LYS 30 Ca 0.62 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.75 3nix s LYS 30 Cb -0.12 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 3nix s LYS 30 CO 0.26 -0.95 -0.21 0.54 -0.36 0.00 0.00 175.35 174.63 3nix s VAL 31 N 3.39 1.64 -0.04 4.02 0.11 -1.26 -1.01 120.40 127.26 3nix s VAL 31 Ca 0.36 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 3nix s VAL 31 Cb -0.12 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 3nix s VAL 31 CO 0.19 0.46 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.49 3nix s LYS 32 N -0.39 1.73 -0.23 1.54 2.20 -1.02 -3.54 119.74 120.03 3nix s LYS 32 Ca 0.06 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 54.96 3nix s LYS 32 Cb -0.09 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.65 3nix s LYS 32 CO -0.00 0.30 0.07 0.42 -0.36 0.00 0.00 175.35 175.77 3nix s ILE 33 N -0.11 4.40 -0.28 5.43 1.01 -0.89 -1.10 121.20 129.65 3nix s ILE 33 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 3nix s ILE 33 Cb -0.10 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3nix s ILE 33 CO 0.01 0.37 0.18 0.68 0.00 0.00 0.00 174.94 176.18 3nix s VAL 34 N 1.32 5.20 -0.14 2.92 -7.23 -0.70 -1.15 120.40 120.61 3nix s VAL 34 Ca 0.05 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.33 3nix s VAL 34 Cb -0.15 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.31 3nix s VAL 34 CO 0.03 0.23 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.15 3nix s GLU 35 N 1.74 3.07 0.14 4.82 2.56 -0.92 -1.07 118.70 129.04 3nix s GLU 35 Ca 0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 54.97 54.12 3nix s GLU 35 Cb -0.16 -2.48 -0.05 0.00 2.00 0.00 0.00 34.13 33.44 3nix s GLU 35 CO 0.10 -0.00 1.41 -0.22 -0.56 0.00 0.00 175.26 175.98 3nix h LYS 36 N 7.31 0.76 -7.54 4.30 3.64 -1.81 -0.11 116.57 123.12 3nix h LYS 36 Ca -0.32 -0.52 -0.46 0.00 -1.27 0.00 0.00 60.65 58.08 3nix h LYS 36 Cb 1.19 0.08 0.12 0.00 -0.41 0.00 0.00 32.23 33.21 3nix h LYS 36 CO 0.56 1.14 0.31 -0.65 -2.27 0.00 0.00 179.45 178.54 3nix s GLN 37 N -3.97 1.32 -0.12 1.90 -0.21 -1.26 -3.27 119.66 114.05 3nix s GLN 37 Ca -0.09 -0.48 -0.05 0.00 0.02 0.00 0.00 55.36 54.75 3nix s GLN 37 Cb 0.10 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 3nix s GLN 37 CO 0.88 -1.88 0.08 0.21 -2.12 0.00 0.00 175.29 172.46 3nix s LYS 38 N -5.56 3.41 0.08 2.91 2.20 -1.26 -2.30 119.74 119.22 3nix s LYS 38 Ca 0.68 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3nix s LYS 38 Cb -0.06 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 3nix s LYS 38 CO 0.49 0.65 0.25 -0.06 -0.36 0.00 0.00 175.35 176.33 3nix s PHE 39 N -0.70 3.51 0.71 4.03 0.40 -1.26 -3.65 117.98 121.02 3nix s PHE 39 Ca 0.12 0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.65 3nix s PHE 39 Cb -0.12 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.61 3nix s PHE 39 CO 0.03 0.55 1.13 -1.25 0.70 0.00 0.00 175.22 176.38 3nix s PRO 40 N -2.54 2.45 0.01 0.24 0.04 -1.26 -5.12 135.00 128.82 3nix s PRO 40 Ca 0.36 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 3nix s PRO 40 Cb -0.13 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 3nix s PRO 40 CO 0.27 -1.54 0.12 -0.98 0.04 0.00 0.00 177.00 174.92 3nix s ARG 41 N -4.20 0.49 0.22 4.56 3.03 -1.24 -5.03 118.95 116.77 3nix s ARG 41 Ca 0.68 -0.46 -0.30 0.00 2.03 0.00 0.00 55.73 57.68 3nix s ARG 41 Cb -0.22 0.20 -0.08 0.00 -1.03 0.00 0.00 34.95 33.82 3nix s ARG 41 CO 0.46 -0.12 1.00 0.12 -1.13 0.00 0.00 175.30 175.63 3nix s PHE 42 N -1.55 3.81 0.01 5.89 5.36 -1.26 -2.94 117.98 127.31 3nix s PHE 42 Ca -0.14 1.80 -0.16 0.00 -0.96 0.00 0.00 56.93 57.48 3nix s PHE 42 Cb -0.07 -3.10 0.03 0.00 -0.34 0.00 0.00 43.02 39.53 3nix s PHE 42 CO 0.01 0.04 0.34 0.54 -1.46 0.00 0.00 175.22 174.69 3nix s VAL 43 N -0.83 0.06 0.61 3.12 0.11 -1.26 -4.94 120.40 117.28 3nix s VAL 43 Ca 0.44 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 3nix s VAL 43 Cb -0.27 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3nix s VAL 43 CO 0.34 -0.28 0.89 -0.51 -3.33 0.00 0.00 175.10 172.21 3nix s ILE 44 N -1.92 2.82 0.00 7.04 1.10 -1.26 -4.37 121.20 124.61 3nix s ILE 44 Ca -0.09 -0.35 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 3nix s ILE 44 Cb -0.03 -3.14 0.00 0.00 0.15 0.00 0.00 42.46 39.45 3nix s ILE 44 CO 0.01 -0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.33 3nix n GLY 45 N -2.61 0.74 0.00 1.50 0.00 -1.26 -5.02 105.19 98.54 3nix n GLY 45 Ca 0.07 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.47 3nix n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nix n GLU 46 N 0.00 4.14 -3.68 1.61 1.02 -1.26 -4.82 120.64 117.65 3nix n GLU 46 Ca 0.00 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 3nix n GLU 46 Cb 0.00 -0.83 -0.12 0.00 -0.02 0.00 0.00 31.44 30.47 3nix n GLU 46 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3nix s SER 47 N -1.75 5.44 0.83 1.62 0.15 -1.26 -1.37 113.70 117.37 3nix s SER 47 Ca 0.01 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 55.99 3nix s SER 47 Cb 0.04 -1.97 0.13 0.00 -1.71 0.00 0.00 66.02 62.50 3nix s SER 47 CO 0.22 -0.19 1.17 -0.76 1.20 0.00 0.00 173.24 174.88 3nix s LEU 48 N 1.59 2.71 0.14 3.45 1.02 -1.02 -4.71 118.68 121.87 3nix s LEU 48 Ca 0.04 0.37 0.10 0.00 0.02 0.00 0.00 54.13 54.66 3nix s LEU 48 Cb -0.17 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.29 3nix s LEU 48 CO 0.05 -2.15 -0.23 -0.76 0.02 0.00 0.00 176.35 173.28 3nix s LEU 49 N -5.57 2.36 0.55 1.79 1.43 -1.26 -4.81 118.68 113.17 3nix s LEU 49 Ca 0.67 -0.78 0.27 0.00 -1.03 0.00 0.00 54.13 53.26 3nix s LEU 49 Cb -0.07 -1.06 1.45 0.00 0.03 0.00 0.00 46.19 46.54 3nix s LEU 49 CO 0.49 0.10 1.97 -0.65 0.23 0.00 0.00 176.35 178.48 3nix h PRO 50 N 3.65 0.00 -0.29 1.29 0.11 -1.75 -0.99 132.00 134.02 3nix h PRO 50 Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3nix h PRO 50 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3nix h PRO 50 CO 0.43 0.00 0.20 -0.09 -0.21 0.00 0.00 178.00 178.33 3nix h ARG 51 N 0.00 0.26 -2.97 1.05 9.65 -1.67 -3.39 114.38 117.31 3nix h ARG 51 Ca 0.26 -0.02 -0.23 0.00 -1.10 0.00 0.00 59.98 58.90 3nix h ARG 51 Cb 1.13 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3nix h ARG 51 CO -0.00 0.17 1.27 0.00 2.80 0.00 0.00 179.97 184.21 3nix n GLU 54 N 3.50 0.00 0.15 0.00 1.02 -1.26 -1.77 120.64 122.27 3nix n GLU 54 Ca 0.32 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.50 3nix n GLU 54 Cb 0.30 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.79 3nix n GLU 54 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3nix h HIS 55 N 0.00 0.00 -0.07 -0.32 3.86 -1.95 -1.90 115.15 114.76 3nix h HIS 55 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 3nix h HIS 55 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 3nix h HIS 55 CO 0.00 0.44 -0.50 -0.07 0.86 0.00 0.00 177.93 178.66 3nix h LEU 56 N 0.00 0.56 -0.17 2.43 4.07 -1.70 -1.69 115.31 118.81 3nix h LEU 56 Ca -0.00 -0.67 0.03 0.00 0.08 0.00 0.00 57.88 57.32 3nix h LEU 56 Cb 1.31 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.85 3nix h LEU 56 CO 0.06 1.15 -0.04 -0.78 -1.08 0.00 0.00 178.44 177.75 3nix h ASP 57 N 0.02 -0.15 1.29 -0.43 1.82 -1.81 0.15 116.42 117.31 3nix h ASP 57 Ca -0.04 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 3nix h ASP 57 Cb 1.16 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 3nix h ASP 57 CO 0.10 -0.05 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.40 3nix h GLU 58 N 0.01 0.00 -0.00 0.28 4.81 -1.37 -2.60 114.58 115.70 3nix h GLU 58 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3nix h GLU 58 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3nix h GLU 58 CO -0.17 0.20 -0.18 0.00 -0.73 0.00 0.00 179.01 178.13 3nix n ALA 59 N -2.18 2.79 -2.80 2.92 0.00 -0.64 -4.89 120.51 115.71 3nix n ALA 59 Ca 0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 3nix n ALA 59 Cb 0.49 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.63 3nix n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 60 N 1.47 -0.01 0.00 0.00 0.00 -0.90 -4.90 105.19 100.85 3nix n GLY 60 Ca 0.07 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3nix n GLY 60 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nix n PHE 61 N -3.99 0.00 0.12 1.61 3.72 -0.01 -4.70 117.46 114.21 3nix n PHE 61 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.21 3nix n PHE 61 Cb 0.56 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.95 3nix n PHE 61 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3nix h LEU 62 N 0.00 -0.23 -0.63 4.37 3.38 -1.87 -1.22 115.31 119.11 3nix h LEU 62 Ca 0.00 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.98 3nix h LEU 62 Cb 0.43 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 3nix h LEU 62 CO 0.00 -0.02 0.05 0.44 0.09 0.00 0.00 178.44 179.00 3nix h ASP 63 N -0.43 -0.19 0.79 -0.43 3.32 -1.92 -0.04 116.42 117.52 3nix h ASP 63 Ca -0.03 0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3nix h ASP 63 Cb 0.33 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3nix h ASP 63 CO 0.04 -0.08 -0.30 0.00 -1.72 0.00 0.00 179.24 177.18 3nix h ALA 64 N 1.55 1.06 -0.04 3.45 0.00 -1.80 -2.33 119.26 121.14 3nix h ALA 64 Ca 0.33 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3nix h ALA 64 Cb 0.54 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3nix h ALA 64 CO -0.50 0.37 -0.68 0.28 0.00 0.00 0.00 179.25 178.72 3nix h VAL 65 N 0.00 1.37 -0.94 0.00 2.07 0.05 -3.26 116.25 115.55 3nix h VAL 65 Ca -0.00 -2.04 0.12 0.00 0.82 0.00 0.00 66.70 65.60 3nix h VAL 65 Cb 0.77 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 3nix h VAL 65 CO 0.04 0.61 0.60 0.11 0.02 0.00 0.00 177.57 178.95 3nix h LYS 66 N 0.12 0.87 0.00 1.57 1.57 -0.84 -2.47 116.57 117.38 3nix h LYS 66 Ca -0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3nix h LYS 66 Cb 1.36 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3nix h LYS 66 CO 0.14 0.57 -0.07 0.00 -0.57 0.00 0.00 179.45 179.51 3nix h ALA 67 N 1.56 1.50 0.00 3.86 0.00 -1.46 -2.14 119.26 122.58 3nix h ALA 67 Ca 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3nix h ALA 67 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3nix h ALA 67 CO -0.22 0.09 0.00 1.96 0.00 0.00 0.00 179.25 181.09 3nix h GLN 68 N 0.00 0.00 -4.31 0.00 1.08 -1.55 -3.48 115.11 106.84 3nix h GLN 68 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3nix h GLN 68 Cb 0.18 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.72 3nix h GLN 68 CO 0.01 0.00 -0.49 0.41 -0.95 0.00 0.00 178.83 177.81 3nix n GLY 69 N 1.17 -0.12 3.80 3.46 0.00 -0.80 -5.00 105.19 107.69 3nix n GLY 69 Ca 0.05 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3nix n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 70 N -3.23 3.23 0.14 1.61 0.08 -1.26 -4.76 117.98 113.79 3nix s PHE 70 Ca 0.06 1.62 -0.34 0.00 0.12 0.00 0.00 56.93 58.39 3nix s PHE 70 Cb -0.01 -3.00 -0.16 0.00 -0.57 0.00 0.00 43.02 39.28 3nix s PHE 70 CO 0.45 -0.45 1.26 0.94 -0.10 0.00 0.00 175.22 177.33 3nix n GLN 71 N -0.50 1.23 -2.98 0.44 -0.06 -1.22 -4.80 117.38 109.48 3nix n GLN 71 Ca 0.07 0.44 -0.32 0.00 -2.00 0.00 0.00 57.00 55.18 3nix n GLN 71 Cb 0.52 -2.02 -0.06 0.00 -4.06 0.00 0.00 30.24 24.63 3nix n GLN 71 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3nix s GLN 72 N 0.03 4.04 -0.13 3.69 -0.21 -1.26 -0.70 119.66 125.12 3nix s GLN 72 Ca 0.78 0.79 0.01 0.00 0.02 0.00 0.00 55.36 56.96 3nix s GLN 72 Cb -0.88 -2.34 0.02 0.00 1.00 0.00 0.00 33.01 30.81 3nix s GLN 72 CO 0.49 0.06 -0.14 0.21 -2.12 0.00 0.00 175.29 173.80 3nix s LYS 73 N -3.19 2.16 0.00 2.91 2.20 0.76 -4.44 119.74 120.15 3nix s LYS 73 Ca 0.56 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3nix s LYS 73 Cb -0.10 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3nix s LYS 73 CO 0.18 -0.17 0.48 1.19 -0.36 0.00 0.00 175.35 176.67 3nix n PHE 74 N 4.55 0.00 -3.44 4.03 3.72 0.18 -1.62 117.46 124.89 3nix n PHE 74 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3nix n PHE 74 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3nix n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nix n GLY 75 N 0.53 0.63 2.98 1.37 0.00 -1.13 -0.35 105.19 109.22 3nix n GLY 75 Ca 0.02 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 3nix n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nix s ALA 76 N -1.00 0.57 -0.06 4.61 0.00 -0.36 -3.01 121.76 122.51 3nix s ALA 76 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3nix s ALA 76 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3nix s ALA 76 CO 0.00 0.14 -0.17 0.21 0.00 0.00 0.00 175.76 175.93 3nix s LYS 77 N -0.14 2.01 -0.12 0.00 2.20 -0.31 0.10 119.74 123.48 3nix s LYS 77 Ca 0.02 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 3nix s LYS 77 Cb -0.03 -1.67 -0.00 0.00 -1.51 0.00 0.00 37.83 34.62 3nix s LYS 77 CO -0.00 0.19 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.92 3nix s PHE 78 N 0.23 2.67 -0.11 4.03 0.08 -0.30 -0.29 117.98 124.28 3nix s PHE 78 Ca -0.09 -1.01 0.02 0.00 0.12 0.00 0.00 56.93 55.97 3nix s PHE 78 Cb -0.14 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3nix s PHE 78 CO 0.04 -0.41 -0.18 0.08 -0.10 0.00 0.00 175.22 174.64 3nix s VAL 79 N 0.49 2.59 -0.31 -0.44 1.01 0.35 -2.01 120.40 122.08 3nix s VAL 79 Ca -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3nix s VAL 79 Cb -0.17 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.28 3nix s VAL 79 CO 0.05 0.54 0.15 -0.60 0.00 0.00 0.00 175.10 175.24 3nix s ARG 80 N 0.30 0.36 7.81 2.72 3.52 -0.79 -0.19 118.95 132.68 3nix s ARG 80 Ca -0.14 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3nix s ARG 80 Cb -0.17 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.90 3nix s ARG 80 CO 0.07 -1.06 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 3nix n GLY 81 N 4.89 3.43 0.72 8.12 0.00 -1.26 -1.25 105.19 119.83 3nix n GLY 81 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3nix n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nix n LYS 82 N 13.44 1.90 -2.59 1.61 4.76 -1.26 -4.86 118.16 131.17 3nix n LYS 82 Ca 0.00 -1.45 -0.40 0.00 -2.87 0.00 0.00 58.31 53.59 3nix n LYS 82 Cb 0.00 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.67 3nix n LYS 82 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3nix s GLU 83 N -2.10 4.72 -0.04 1.97 2.02 -0.38 -5.05 118.70 119.84 3nix s GLU 83 Ca 0.29 1.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.94 3nix s GLU 83 Cb 0.20 -3.23 0.03 0.00 0.10 0.00 0.00 34.13 31.23 3nix s GLU 83 CO 0.36 0.32 0.08 0.42 0.02 0.00 0.00 175.26 176.46 3nix s ILE 84 N -1.11 -0.05 -0.31 -1.63 1.01 -1.26 -1.89 121.20 115.96 3nix s ILE 84 Ca 0.43 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.29 3nix s ILE 84 Cb -0.29 -0.15 0.07 0.00 0.01 0.00 0.00 42.46 42.10 3nix s ILE 84 CO 0.37 0.08 -0.01 0.00 0.00 0.00 0.00 174.94 175.38 3nix s ALA 85 N 1.08 2.78 -0.17 9.38 0.00 -0.85 -4.97 121.76 129.00 3nix s ALA 85 Ca -0.09 -2.03 -0.08 0.00 0.00 0.00 0.00 51.96 49.77 3nix s ALA 85 Cb -0.12 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3nix s ALA 85 CO -0.04 -1.40 0.10 0.34 0.00 0.00 0.00 175.76 174.76 3nix s ASP 86 N 1.18 6.00 -0.24 0.00 2.15 -1.26 -1.15 116.67 123.34 3nix s ASP 86 Ca -0.01 0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.20 3nix s ASP 86 Cb -0.20 -2.00 0.04 0.00 -0.30 0.00 0.00 42.92 40.46 3nix s ASP 86 CO -0.04 0.24 -0.11 -0.36 -0.17 0.00 0.00 175.17 174.73 3nix s PHE 87 N -0.04 3.09 -0.30 -5.34 0.40 0.11 -5.00 117.98 110.91 3nix s PHE 87 Ca 0.08 -1.88 -0.18 0.00 -0.60 0.00 0.00 56.93 54.36 3nix s PHE 87 Cb -0.12 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 3nix s PHE 87 CO 0.00 -0.81 0.52 1.21 0.70 0.00 0.00 175.22 176.84 3nix s ASN 88 N 1.23 6.39 0.26 1.36 3.84 -1.26 -1.22 114.94 125.53 3nix s ASN 88 Ca -0.02 0.31 0.19 0.00 0.21 0.00 0.00 52.86 53.55 3nix s ASN 88 Cb -0.17 -2.28 0.98 0.00 -0.55 0.00 0.00 41.25 39.23 3nix s ASN 88 CO -0.06 -0.37 1.58 0.49 -2.79 0.00 0.00 177.10 175.95 3nix n PHE 89 N 5.64 0.63 1.39 0.43 3.72 0.53 -1.15 117.46 128.65 3nix n PHE 89 Ca -0.04 0.31 0.14 0.00 -0.05 0.00 0.00 57.45 57.81 3nix n PHE 89 Cb 0.49 -1.00 0.58 0.00 -0.94 0.00 0.00 39.48 38.61 3nix n PHE 89 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 90 N -2.14 0.55 -3.64 4.37 7.64 -1.26 -4.25 113.62 114.90 3nix n SER 90 Ca -0.01 -0.62 -0.29 0.00 1.01 0.00 0.00 58.87 58.97 3nix n SER 90 Cb 0.06 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 3nix n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3nix s ASP 91 N -2.47 3.21 0.20 6.43 2.15 -0.30 -5.10 116.67 120.79 3nix s ASP 91 Ca 0.28 -2.92 0.04 0.00 0.43 0.00 0.00 52.55 50.38 3nix s ASP 91 Cb 0.20 -0.92 -0.01 0.00 -0.30 0.00 0.00 42.92 41.89 3nix s ASP 91 CO 0.48 -0.21 0.14 0.00 -0.17 0.00 0.00 175.17 175.41 3nix n GLN 92 N 3.12 0.37 -0.08 4.34 10.64 -1.26 -4.58 117.38 129.94 3nix n GLN 92 Ca 0.17 -1.95 -0.20 0.00 -1.83 0.00 0.00 57.00 53.19 3nix n GLN 92 Cb 0.38 1.44 -0.12 0.00 -0.86 0.00 0.00 30.24 31.08 3nix n GLN 92 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 3nix h PHE 93 N 1.56 0.09 -3.28 2.61 3.57 -1.81 -3.48 116.94 116.19 3nix h PHE 93 Ca -0.15 -0.06 -0.45 0.00 3.53 0.00 0.00 57.97 60.83 3nix h PHE 93 Cb 0.70 -0.00 0.13 0.00 2.79 0.00 0.00 35.95 39.57 3nix h PHE 93 CO 0.00 1.41 0.31 -1.12 -2.23 0.00 0.00 178.31 176.68 3nix s SER 94 N -6.76 3.54 0.00 0.41 0.01 -1.26 -5.10 113.70 104.55 3nix s SER 94 Ca -0.25 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3nix s SER 94 Cb 0.04 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3nix s SER 94 CO 0.65 -2.43 0.00 0.59 0.41 0.00 0.00 173.24 172.45 3nix n ASN 95 N -3.43 0.00 0.00 2.44 3.02 -1.26 -5.02 115.26 111.01 3nix n ASN 95 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3nix n ASN 95 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3nix n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nix n GLY 96 N 5.00 -2.89 3.80 7.41 0.00 -1.26 -4.90 105.19 112.35 3nix n GLY 96 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3nix n GLY 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nix s TRP 97 N -0.76 2.93 -0.12 1.61 0.52 -1.26 -4.98 118.94 116.88 3nix s TRP 97 Ca 0.00 1.50 0.05 0.00 0.02 0.00 0.00 56.10 57.67 3nix s TRP 97 Cb 0.00 -3.00 0.10 0.00 -1.15 0.00 0.00 33.47 29.42 3nix s TRP 97 CO 0.00 -1.30 1.07 0.27 0.02 0.00 0.00 176.95 177.01 3nix n ASN 98 N -2.53 2.21 -3.68 2.95 2.04 -1.26 -4.79 115.26 110.20 3nix n ASN 98 Ca 0.09 -2.24 -0.10 0.00 -0.44 0.00 0.00 54.58 51.89 3nix n ASN 98 Cb 0.53 -0.12 -0.03 0.00 -2.53 0.00 0.00 39.78 37.63 3nix n ASN 98 CO 0.00 0.00 0.00 -1.66 -0.44 0.00 0.00 177.26 175.16 3nix s TRP 99 N -1.42 -0.23 0.00 -2.53 1.48 -1.26 -4.21 118.94 110.77 3nix s TRP 99 Ca 0.10 -0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.04 3nix s TRP 99 Cb 0.08 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.87 3nix s TRP 99 CO 0.02 -0.95 0.00 -2.37 -4.06 0.00 0.00 176.95 169.60 3nix n THR 100 N -0.37 0.00 -4.48 0.66 5.66 -0.64 -4.39 114.28 110.72 3nix n THR 100 Ca -0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 3nix n THR 100 Cb 0.63 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.30 3nix n THR 100 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3nix s TRP 101 N -2.58 2.17 -0.10 1.09 0.51 -1.26 -0.17 118.94 118.59 3nix s TRP 101 Ca 0.00 -0.58 0.02 0.00 -2.12 0.00 0.00 56.10 53.42 3nix s TRP 101 Cb 0.00 -1.22 -0.01 0.00 -0.81 0.00 0.00 33.47 31.43 3nix s TRP 101 CO 0.00 0.45 -0.16 -0.65 -0.51 0.00 0.00 176.95 176.07 3nix s GLN 102 N -3.66 3.10 -0.11 4.98 -0.21 0.12 -2.44 119.66 121.45 3nix s GLN 102 Ca 0.31 -0.74 -0.04 0.00 0.02 0.00 0.00 55.36 54.90 3nix s GLN 102 Cb 0.02 -2.48 0.05 0.00 1.00 0.00 0.00 33.01 31.60 3nix s GLN 102 CO 0.14 0.29 0.23 0.14 -2.12 0.00 0.00 175.29 173.97 3nix s VAL 103 N 0.12 -0.26 0.23 1.09 -7.23 -0.47 -3.43 120.40 110.45 3nix s VAL 103 Ca -0.08 0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 60.03 3nix s VAL 103 Cb -0.15 -0.38 -0.12 0.00 0.56 0.00 0.00 36.38 36.29 3nix s VAL 103 CO 0.05 0.11 1.69 -2.84 -0.31 0.00 0.00 175.10 173.80 3nix s PRO 104 N 2.01 4.12 0.23 4.82 0.02 -1.26 -4.63 135.00 140.31 3nix s PRO 104 Ca -0.02 2.60 0.06 0.00 0.02 0.00 0.00 61.00 63.66 3nix s PRO 104 Cb -0.12 -3.06 0.22 0.00 0.02 0.00 0.00 34.50 31.56 3nix s PRO 104 CO -0.08 -0.72 1.53 0.00 -0.33 0.00 0.00 177.00 177.40 3nix h ARG 105 N 6.35 0.16 0.34 5.54 2.47 -1.89 -1.23 114.38 126.11 3nix h ARG 105 Ca -0.44 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.16 3nix h ARG 105 Cb 1.20 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 3nix h ARG 105 CO 0.92 0.77 -0.39 0.78 0.56 0.00 0.00 179.97 182.61 3nix h GLY 106 N 1.69 -0.89 0.98 0.04 0.00 -1.81 0.62 103.07 103.71 3nix h GLY 106 Ca -0.01 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3nix h GLY 106 CO 0.10 -0.31 -0.20 3.43 0.00 0.00 0.00 176.54 179.56 3nix h ASN 107 N -0.76 -0.48 -0.44 0.19 2.35 -1.83 -2.42 115.58 112.19 3nix h ASN 107 Ca -0.02 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3nix h ASN 107 Cb 0.70 0.12 -0.08 0.00 0.05 0.00 0.00 38.32 39.12 3nix h ASN 107 CO -0.09 -0.32 -0.05 0.15 -1.65 0.00 0.00 177.43 175.46 3nix h PHE 108 N -0.59 -0.12 -0.42 1.19 3.57 -1.13 0.66 116.94 120.10 3nix h PHE 108 Ca -0.06 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3nix h PHE 108 Cb 0.45 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3nix h PHE 108 CO -0.04 -0.14 -0.25 -0.44 -2.23 0.00 0.00 178.31 175.21 3nix h ASP 109 N 0.06 0.91 -0.71 0.41 5.19 -0.82 -0.71 116.42 120.75 3nix h ASP 109 Ca 0.22 -0.35 -0.07 0.00 -0.62 0.00 0.00 57.03 56.21 3nix h ASP 109 Cb 0.33 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 3nix h ASP 109 CO -0.41 1.11 0.19 0.50 -3.12 0.00 0.00 179.24 177.51 3nix h LYS 110 N 0.76 1.13 -0.79 3.56 3.64 -1.07 0.40 116.57 124.20 3nix h LYS 110 Ca 0.09 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3nix h LYS 110 Cb 0.80 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 3nix h LYS 110 CO 0.07 0.98 0.48 1.15 -2.27 0.00 0.00 179.45 179.86 3nix h THR 111 N 1.07 1.04 0.12 1.00 2.02 -0.15 0.15 112.91 118.17 3nix h THR 111 Ca 0.23 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3nix h THR 111 Cb 0.35 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3nix h THR 111 CO -0.00 0.16 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 3nix h LEU 112 N 0.89 -0.14 -1.03 2.58 4.07 -0.37 -2.72 115.31 118.58 3nix h LEU 112 Ca 0.34 -0.24 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 3nix h LEU 112 Cb 0.14 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3nix h LEU 112 CO -0.16 0.17 0.02 0.00 -1.08 0.00 0.00 178.44 177.39 3nix h ALA 113 N 0.38 1.20 -0.55 1.53 0.00 0.15 -1.08 119.26 120.89 3nix h ALA 113 Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3nix h ALA 113 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3nix h ALA 113 CO 0.03 0.53 -0.05 -0.44 0.00 0.00 0.00 179.25 179.31 3nix h ASP 114 N 0.68 1.00 0.21 0.00 3.32 -0.77 -0.90 116.42 119.96 3nix h ASP 114 Ca 0.14 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3nix h ASP 114 Cb 0.39 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3nix h ASP 114 CO 0.01 1.09 -0.28 -0.08 -1.72 0.00 0.00 179.24 178.27 3nix h GLU 115 N 0.89 0.12 -0.30 3.56 4.57 -1.12 -0.83 114.58 121.47 3nix h GLU 115 Ca 0.15 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3nix h GLU 115 Cb 0.61 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3nix h GLU 115 CO 0.04 0.39 -0.01 0.00 -1.18 0.00 0.00 179.01 178.25 3nix h ALA 116 N 1.61 0.40 0.24 2.92 0.00 -0.72 -2.07 119.26 121.64 3nix h ALA 116 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3nix h ALA 116 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3nix h ALA 116 CO 0.04 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.34 3nix h ALA 117 N 0.83 -0.32 -0.80 0.00 0.00 -0.89 -1.28 119.26 116.80 3nix h ALA 117 Ca 0.08 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.16 3nix h ALA 117 Cb 0.45 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3nix h ALA 117 CO 0.02 -0.67 0.65 -0.09 0.00 0.00 0.00 179.25 179.16 3nix h ARG 118 N -0.32 0.00 0.00 0.00 2.43 -1.15 0.13 114.38 115.47 3nix h ARG 118 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3nix h ARG 118 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3nix h ARG 118 CO 0.05 0.00 -0.22 1.04 -1.51 0.00 0.00 179.97 179.33 3nix n GLN 119 N -4.03 0.10 0.00 0.20 6.02 -0.55 -4.90 117.38 114.23 3nix n GLN 119 Ca 0.17 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3nix n GLN 119 Cb 0.94 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3nix n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nix n GLY 120 N 1.44 1.16 3.69 1.08 0.00 0.46 -4.99 105.19 108.03 3nix n GLY 120 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3nix n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nix s VAL 121 N -2.00 4.12 -0.30 1.61 1.01 -0.80 -4.93 120.40 119.11 3nix s VAL 121 Ca 0.00 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 3nix s VAL 121 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3nix s VAL 121 CO 0.00 -0.00 0.67 1.51 0.00 0.00 0.00 175.10 177.28 3nix s ASP 122 N 1.57 6.54 -0.23 3.32 3.84 -1.23 -3.65 116.67 126.84 3nix s ASP 122 Ca 0.58 0.50 -0.08 0.00 -0.00 0.00 0.00 52.55 53.55 3nix s ASP 122 Cb -0.26 -2.35 -0.04 0.00 -1.38 0.00 0.00 42.92 38.89 3nix s ASP 122 CO 0.23 -0.51 0.08 -0.69 -0.00 0.00 0.00 175.17 174.28 3nix s VAL 123 N 2.70 4.58 -0.33 2.11 1.01 -1.26 -2.09 120.40 127.12 3nix s VAL 123 Ca 0.27 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3nix s VAL 123 Cb -0.15 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.21 3nix s VAL 123 CO 0.12 0.37 0.03 -0.70 0.00 0.00 0.00 175.10 174.92 3nix s GLU 124 N 1.20 1.69 0.91 2.72 2.12 -0.30 -5.00 118.70 122.04 3nix s GLU 124 Ca 0.05 -1.76 -0.14 0.00 0.36 0.00 0.00 54.97 53.48 3nix s GLU 124 Cb -0.14 -3.18 0.15 0.00 0.26 0.00 0.00 34.13 31.22 3nix s GLU 124 CO 0.04 -0.87 1.21 0.71 -0.54 0.00 0.00 175.26 175.81 3nix s TYR 125 N 0.97 2.23 -1.59 5.30 2.02 -1.26 -2.16 117.35 122.86 3nix s TYR 125 Ca 0.06 0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 57.24 3nix s TYR 125 Cb -0.19 -3.68 0.11 0.00 -0.40 0.00 0.00 41.96 37.79 3nix s TYR 125 CO -0.07 -2.35 0.84 0.39 -1.57 0.00 0.00 175.55 172.79 3nix n GLU 126 N -3.67 -4.29 -3.73 -0.62 1.02 -0.10 -4.84 120.64 104.40 3nix n GLU 126 Ca 0.10 0.48 -0.21 0.00 -0.02 0.00 0.00 57.16 57.52 3nix n GLU 126 Cb 0.60 -5.22 -0.18 0.00 -0.02 0.00 0.00 31.44 26.62 3nix n GLU 126 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3nix s VAL 127 N -3.37 0.09 -0.22 2.62 1.01 -0.90 -3.22 120.40 116.42 3nix s VAL 127 Ca 0.61 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 3nix s VAL 127 Cb -0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3nix s VAL 127 CO 0.88 0.20 0.01 -0.83 0.00 0.00 0.00 175.10 175.36 3nix s GLY 128 N 1.95 1.71 0.20 4.51 0.00 -1.01 -2.72 107.32 111.97 3nix s GLY 128 Ca 0.03 -1.08 -0.32 0.00 0.00 0.00 0.00 44.72 43.35 3nix s GLY 128 CO -0.04 0.39 1.30 -0.62 0.00 0.00 0.00 173.10 174.13 3nix n VAL 129 N 4.62 0.84 0.00 1.40 0.31 -1.26 -1.82 118.33 122.42 3nix n VAL 129 Ca -0.17 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3nix n VAL 129 Cb 0.51 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3nix n VAL 129 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3nix n THR 130 N 1.81 0.00 -3.57 2.52 5.66 0.88 -4.92 114.28 116.66 3nix n THR 130 Ca 0.14 -0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 3nix n THR 130 Cb 0.28 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.64 3nix n THR 130 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3nix s ASP 131 N -0.78 -0.51 -0.05 1.09 2.15 -1.21 -4.98 116.67 112.38 3nix s ASP 131 Ca 0.00 0.64 -0.00 0.00 0.43 0.00 0.00 52.55 53.62 3nix s ASP 131 Cb 0.00 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 3nix s ASP 131 CO 0.00 -0.41 -0.00 -0.63 -0.17 0.00 0.00 175.17 173.96 3nix s ILE 132 N -0.87 0.29 -0.17 4.11 1.01 -1.26 -1.40 121.20 122.91 3nix s ILE 132 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3nix s ILE 132 Cb -0.01 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 3nix s ILE 132 CO 0.04 0.21 -0.12 -0.75 0.00 0.00 0.00 174.94 174.31 3nix s LYS 133 N 1.51 3.27 -0.09 2.79 2.47 -0.87 -5.02 119.74 123.80 3nix s LYS 133 Ca -0.02 -0.71 -0.10 0.00 -1.56 0.00 0.00 55.97 53.57 3nix s LYS 133 Cb -0.13 -2.73 -0.05 0.00 -1.46 0.00 0.00 37.83 33.47 3nix s LYS 133 CO -0.03 -0.03 0.24 -0.06 0.16 0.00 0.00 175.35 175.62 3nix s PHE 134 N 0.97 3.62 -0.21 4.03 0.08 -1.26 -2.10 117.98 123.10 3nix s PHE 134 Ca -0.02 0.67 -0.02 0.00 0.12 0.00 0.00 56.93 57.68 3nix s PHE 134 Cb -0.15 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.27 3nix s PHE 134 CO -0.02 0.64 0.02 0.12 -0.10 0.00 0.00 175.22 175.89 3nix s PHE 135 N -0.83 1.38 0.00 0.36 5.36 -0.06 -5.01 117.98 119.18 3nix s PHE 135 Ca 0.17 -1.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 3nix s PHE 135 Cb -0.13 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 3nix s PHE 135 CO 0.07 -0.67 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 3nix n GLY 136 N 4.95 3.73 0.04 13.12 0.00 -1.26 -0.86 105.19 124.91 3nix n GLY 136 Ca -0.09 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3nix n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nix n THR 137 N 0.00 0.22 -1.66 2.61 -2.24 -1.26 -4.55 114.28 107.40 3nix n THR 137 Ca 0.00 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 3nix n THR 137 Cb 0.00 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.34 3nix n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3nix s ASP 138 N -4.35 5.48 -0.08 3.42 1.01 -0.04 -4.05 116.67 118.06 3nix s ASP 138 Ca -0.00 1.64 -0.14 0.00 0.71 0.00 0.00 52.55 54.76 3nix s ASP 138 Cb 0.13 -2.50 0.03 0.00 1.01 0.00 0.00 42.92 41.59 3nix s ASP 138 CO 0.83 -1.38 0.35 -0.94 0.21 0.00 0.00 175.17 174.24 3nix s SER 139 N -3.64 -0.30 -0.19 0.27 1.04 -0.40 -0.88 113.70 109.61 3nix s SER 139 Ca 0.59 0.44 -0.00 0.00 0.48 0.00 0.00 55.95 57.46 3nix s SER 139 Cb -0.14 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.53 3nix s SER 139 CO 0.52 -0.28 -0.16 -0.69 0.98 0.00 0.00 173.24 173.61 3nix s VAL 140 N -0.52 2.43 -0.16 5.02 1.01 -0.89 0.71 120.40 128.00 3nix s VAL 140 Ca -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3nix s VAL 140 Cb -0.04 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3nix s VAL 140 CO 0.02 0.51 -0.04 -0.89 0.00 0.00 0.00 175.10 174.70 3nix s THR 141 N 1.28 3.79 -0.21 3.92 2.01 0.78 -2.04 115.64 125.16 3nix s THR 141 Ca 0.04 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 3nix s THR 141 Cb -0.14 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 3nix s THR 141 CO -0.09 0.49 0.51 -0.89 -0.69 0.00 0.00 174.62 173.95 3nix s THR 142 N 0.44 5.10 0.25 -0.82 2.01 -0.49 -0.49 115.64 121.65 3nix s THR 142 Ca -0.04 0.93 0.07 0.00 0.31 0.00 0.00 61.69 62.96 3nix s THR 142 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3nix s THR 142 CO 0.03 0.16 0.17 0.27 -0.69 0.00 0.00 174.62 174.57 3nix s ILE 143 N 1.74 4.31 -0.10 1.82 -4.36 -0.20 -0.08 121.20 124.33 3nix s ILE 143 Ca 0.23 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 3nix s ILE 143 Cb -0.15 -3.33 0.03 0.00 1.25 0.00 0.00 42.46 40.25 3nix s ILE 143 CO 0.09 -0.35 -0.04 -0.70 0.24 0.00 0.00 174.94 174.18 3nix s GLU 144 N -3.82 1.15 0.92 0.37 2.12 -0.76 -2.34 118.70 116.35 3nix s GLU 144 Ca 0.33 -0.12 -0.16 0.00 0.36 0.00 0.00 54.97 55.38 3nix s GLU 144 Cb -0.08 -1.36 0.23 0.00 0.26 0.00 0.00 34.13 33.18 3nix s GLU 144 CO 0.24 -0.29 0.91 -0.40 -0.54 0.00 0.00 175.26 175.19 3nix n ASP 145 N 5.02 -1.39 0.21 -1.70 5.68 -0.65 -2.39 116.55 121.34 3nix n ASP 145 Ca -0.10 -1.12 0.07 0.00 -0.50 0.00 0.00 54.79 53.14 3nix n ASP 145 Cb 0.50 -0.80 0.59 0.00 -1.14 0.00 0.00 41.12 40.27 3nix n ASP 145 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3nix h ILE 146 N -2.26 1.03 -0.02 2.12 2.04 -1.89 -2.81 117.51 115.72 3nix h ILE 146 Ca -0.33 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3nix h ILE 146 Cb 0.98 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3nix h ILE 146 CO 0.22 0.04 -0.10 0.59 0.00 0.00 0.00 178.15 178.90 3nix n ASN 147 N -4.50 1.67 0.00 1.72 3.02 -1.26 -4.93 115.26 110.97 3nix n ASN 147 Ca -0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 3nix n ASN 147 Cb 0.10 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3nix n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nix n GLY 148 N 1.26 0.84 3.81 7.41 0.00 -1.06 -5.08 105.19 112.37 3nix n GLY 148 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3nix n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nix s ASN 149 N -2.20 6.89 -0.07 1.61 0.02 -1.26 -4.86 114.94 115.06 3nix s ASN 149 Ca 0.00 1.06 -0.02 0.00 -1.02 0.00 0.00 52.86 52.88 3nix s ASN 149 Cb 0.00 -2.30 -0.03 0.00 0.02 0.00 0.00 41.25 38.94 3nix s ASN 149 CO 0.00 0.24 0.01 -0.54 0.02 0.00 0.00 177.10 176.84 3nix s LYS 150 N -0.77 2.98 0.06 -0.60 1.02 -1.26 -1.64 119.74 119.52 3nix s LYS 150 Ca 0.26 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 3nix s LYS 150 Cb -0.18 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3nix s LYS 150 CO 0.15 0.69 -0.03 -0.98 -0.92 0.00 0.00 175.35 174.26 3nix s ARG 151 N -1.02 0.64 0.02 1.68 1.70 -0.99 -5.00 118.95 115.98 3nix s ARG 151 Ca 0.15 -1.24 -0.02 0.00 -0.47 0.00 0.00 55.73 54.15 3nix s ARG 151 Cb -0.11 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3nix s ARG 151 CO 0.04 -0.11 0.20 -1.21 -1.08 0.00 0.00 175.30 173.15 3nix s GLU 152 N -3.92 3.45 -0.14 3.89 2.02 -1.26 -1.03 118.70 121.71 3nix s GLU 152 Ca 0.08 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 54.70 3nix s GLU 152 Cb 0.08 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.28 3nix s GLU 152 CO -0.09 0.64 -0.02 0.42 0.02 0.00 0.00 175.26 176.23 3nix s ILE 153 N -1.41 0.75 -0.02 -1.63 1.01 0.36 -4.96 121.20 115.30 3nix s ILE 153 Ca 0.31 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 3nix s ILE 153 Cb -0.13 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3nix s ILE 153 CO 0.23 0.12 0.40 -0.70 0.00 0.00 0.00 174.94 174.99 3nix s GLU 154 N 1.80 3.94 0.04 2.79 2.12 -1.26 -0.16 118.70 127.97 3nix s GLU 154 Ca 0.02 0.38 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 3nix s GLU 154 Cb -0.14 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3nix s GLU 154 CO -0.07 0.64 -0.04 0.00 -0.54 0.00 0.00 175.26 175.25 3nix s ALA 155 N -0.89 0.42 -0.06 6.30 0.00 0.22 -0.30 121.76 127.46 3nix s ALA 155 Ca 0.23 -0.95 0.13 0.00 0.00 0.00 0.00 51.96 51.37 3nix s ALA 155 Cb -0.16 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 23.02 3nix s ALA 155 CO 0.12 -0.24 1.03 0.00 0.00 0.00 0.00 175.76 176.67 3nix h ARG 156 N 3.82 0.00 -2.63 0.00 3.08 -0.83 -1.05 114.38 116.78 3nix h ARG 156 Ca -0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 3nix h ARG 156 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.98 3nix h ARG 156 CO 0.54 0.54 -0.21 0.12 -1.07 0.00 0.00 179.97 179.89 3nix s PHE 157 N -2.81 -0.54 -0.21 3.04 5.36 -0.51 -4.45 117.98 117.86 3nix s PHE 157 Ca -0.01 1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 57.18 3nix s PHE 157 Cb 0.09 0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.96 3nix s PHE 157 CO 0.80 -0.28 -0.03 0.42 -1.46 0.00 0.00 175.22 174.67 3nix s ILE 158 N 0.59 3.52 -0.44 3.12 1.01 0.69 -0.15 121.20 129.54 3nix s ILE 158 Ca -0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 3nix s ILE 158 Cb -0.05 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.87 3nix s ILE 158 CO -0.04 0.43 0.44 -0.63 0.00 0.00 0.00 174.94 175.14 3nix s ILE 159 N 1.29 5.11 -0.78 2.92 1.01 -0.73 -2.37 121.20 127.65 3nix s ILE 159 Ca 0.04 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3nix s ILE 159 Cb -0.14 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.27 3nix s ILE 159 CO -0.01 -0.50 1.34 -0.62 0.00 0.00 0.00 174.94 175.15 3nix s ASP 160 N 2.10 6.17 -0.52 3.58 -1.08 -0.87 -1.92 116.67 124.12 3nix s ASP 160 Ca 0.10 -0.59 0.02 0.00 -0.52 0.00 0.00 52.55 51.56 3nix s ASP 160 Cb -0.19 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.14 3nix s ASP 160 CO 0.11 -1.82 1.59 0.00 0.52 0.00 0.00 175.17 175.58 3nix n ALA 161 N 9.51 5.71 1.46 3.66 0.00 -0.09 -2.21 120.51 138.54 3nix n ALA 161 Ca 0.09 -3.81 0.13 0.00 0.00 0.00 0.00 53.44 49.85 3nix n ALA 161 Cb 0.49 -1.10 0.50 0.00 0.00 0.00 0.00 19.45 19.35 3nix n ALA 161 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nix n SER 162 N -0.72 1.39 0.00 0.00 3.41 -1.04 -4.27 113.62 112.38 3nix n SER 162 Ca 0.51 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3nix n SER 162 Cb 0.71 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3nix n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nix n GLY 163 N 1.13 2.47 0.24 5.00 0.00 -1.26 -1.05 105.19 111.72 3nix n GLY 163 Ca 0.18 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3nix n GLY 163 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3nix h TYR 164 N 0.00 0.00 -0.14 1.61 -1.99 -1.94 0.52 116.97 115.03 3nix h TYR 164 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 3nix h TYR 164 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3nix h TYR 164 CO 0.00 0.00 -0.38 0.78 -0.00 0.00 0.00 178.16 178.56 3nix h GLY 165 N 0.00 0.32 -6.78 3.88 0.00 -1.43 -3.47 103.07 95.60 3nix h GLY 165 Ca 0.00 -0.30 -0.56 0.00 0.00 0.00 0.00 47.33 46.48 3nix h GLY 165 CO 0.00 0.27 -0.93 0.54 0.00 0.00 0.00 176.54 176.41 3nix n ARG 166 N -4.05 -1.95 0.18 4.80 5.12 0.17 -4.86 116.66 116.06 3nix n ARG 166 Ca -0.01 0.25 -0.14 0.00 -1.93 0.00 0.00 57.85 56.01 3nix n ARG 166 Cb 0.46 -3.95 -0.07 0.00 -1.16 0.00 0.00 32.46 27.73 3nix n ARG 166 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3nix h VAL 167 N -1.87 0.66 -0.01 1.55 2.07 -1.88 0.98 116.25 117.75 3nix h VAL 167 Ca -0.65 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3nix h VAL 167 Cb 1.39 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3nix h VAL 167 CO 0.65 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 178.53 3nix h ILE 168 N -0.41 1.53 -1.16 4.57 2.04 -1.96 -3.21 117.51 118.91 3nix h ILE 168 Ca -0.03 -1.72 0.33 0.00 1.00 0.00 0.00 64.86 64.44 3nix h ILE 168 Cb 0.34 2.63 -0.07 0.00 -0.74 0.00 0.00 36.82 38.98 3nix h ILE 168 CO 0.03 0.46 0.80 -0.65 0.00 0.00 0.00 178.15 178.79 3nix h PRO 169 N -0.56 0.15 -0.95 2.37 0.11 -1.86 0.64 132.00 131.90 3nix h PRO 169 Ca -0.01 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.88 3nix h PRO 169 Cb 0.81 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 31.76 3nix h PRO 169 CO 0.02 0.10 0.27 0.54 -0.21 0.00 0.00 178.00 178.72 3nix n ARG 170 N -4.39 1.95 0.00 1.05 1.74 0.33 0.17 116.66 117.52 3nix n ARG 170 Ca 0.27 -1.59 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 3nix n ARG 170 Cb 1.15 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 3nix n ARG 170 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3nix n PHE 172 N -0.22 0.00 -3.07 -1.55 3.01 0.22 -4.90 117.46 110.95 3nix n PHE 172 Ca 0.28 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.51 3nix n PHE 172 Cb 1.04 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.55 3nix n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nix n GLY 173 N 0.00 -0.53 0.63 1.37 0.00 -0.74 -4.88 105.19 101.04 3nix n GLY 173 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3nix n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nix n LEU 174 N -4.10 1.77 -4.75 0.99 4.77 0.13 -4.88 117.00 110.92 3nix n LEU 174 Ca -0.10 -0.89 -0.41 0.00 -0.03 0.00 0.00 56.01 54.58 3nix n LEU 174 Cb 0.62 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3nix n LEU 174 CO 0.49 0.37 0.90 -1.81 -1.33 0.00 0.00 177.39 176.00 3nix s ASP 175 N -0.82 7.03 -0.03 -1.43 1.01 -1.17 0.17 116.67 121.43 3nix s ASP 175 Ca 0.19 2.39 -0.01 0.00 0.71 0.00 0.00 52.55 55.83 3nix s ASP 175 Cb 0.11 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.45 3nix s ASP 175 CO 0.11 -0.37 0.05 -0.75 0.21 0.00 0.00 175.17 174.42 3nix s LYS 176 N -0.98 -0.05 0.51 8.23 2.20 0.17 -4.57 119.74 125.25 3nix s LYS 176 Ca 0.50 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 56.16 3nix s LYS 176 Cb -0.35 -0.35 -0.07 0.00 -1.51 0.00 0.00 37.83 35.55 3nix s LYS 176 CO 0.42 -0.24 1.13 -2.30 -0.36 0.00 0.00 175.35 174.01 3nix n PRO 177 N 4.65 1.41 -3.19 4.03 -0.02 -1.26 0.11 135.00 140.72 3nix n PRO 177 Ca -0.18 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 3nix n PRO 177 Cb 0.50 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3nix n PRO 177 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3nix s SER 178 N -0.90 6.49 0.23 2.55 0.15 -1.26 -4.49 113.70 116.47 3nix s SER 178 Ca 0.69 0.87 -0.00 0.00 0.70 0.00 0.00 55.95 58.20 3nix s SER 178 Cb -0.47 -2.21 0.25 0.00 -1.71 0.00 0.00 66.02 61.89 3nix s SER 178 CO 0.52 -0.25 1.61 1.23 1.20 0.00 0.00 173.24 177.55 3nix h GLY 179 N 1.61 0.55 -4.04 9.45 0.00 -1.95 -3.45 103.07 105.25 3nix h GLY 179 Ca -0.47 -0.55 -0.55 0.00 0.00 0.00 0.00 47.33 45.75 3nix h GLY 179 CO 0.66 0.50 0.65 0.69 0.00 0.00 0.00 176.54 179.04 3nix n PHE 180 N -4.03 2.67 -1.19 5.60 3.72 -1.26 -4.98 117.46 118.00 3nix n PHE 180 Ca -0.02 0.49 -0.30 0.00 -0.05 0.00 0.00 57.45 57.58 3nix n PHE 180 Cb 0.51 -2.48 0.13 0.00 -0.94 0.00 0.00 39.48 36.70 3nix n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3nix s GLU 181 N -2.02 1.47 0.19 -1.08 -1.05 -1.26 -4.96 118.70 109.99 3nix s GLU 181 Ca 0.54 0.94 -0.32 0.00 -0.15 0.00 0.00 54.97 55.99 3nix s GLU 181 Cb -0.52 -1.82 -0.11 0.00 -0.44 0.00 0.00 34.13 31.24 3nix s GLU 181 CO 0.63 -2.13 1.69 0.45 0.95 0.00 0.00 175.26 176.86 3nix s SER 182 N -3.37 6.44 0.12 0.83 0.15 -1.26 -4.96 113.70 111.65 3nix s SER 182 Ca 0.63 2.79 0.10 0.00 0.70 0.00 0.00 55.95 60.17 3nix s SER 182 Cb -0.18 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 3nix s SER 182 CO 0.57 -0.94 -0.24 -0.13 1.20 0.00 0.00 173.24 173.70 3nix s ARG 183 N 1.35 1.29 0.09 5.44 0.52 -1.26 -4.68 118.95 121.70 3nix s ARG 183 Ca 0.74 -1.28 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 3nix s ARG 183 Cb -0.48 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3nix s ARG 183 CO 0.32 0.40 -0.16 0.50 0.02 0.00 0.00 175.30 176.37 3nix s ARG 184 N -2.02 1.95 0.05 3.54 3.52 0.57 -1.93 118.95 124.63 3nix s ARG 184 Ca 0.11 -1.08 0.04 0.00 -0.13 0.00 0.00 55.73 54.67 3nix s ARG 184 Cb -0.10 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 3nix s ARG 184 CO 0.05 0.51 -0.11 -0.08 -0.81 0.00 0.00 175.30 174.86 3nix s THR 185 N -1.08 0.87 -0.03 4.11 -1.32 0.65 -1.16 115.64 117.66 3nix s THR 185 Ca 0.17 -1.11 -0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3nix s THR 185 Cb -0.11 -0.85 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3nix s THR 185 CO 0.09 -0.22 0.01 -0.22 -2.21 0.00 0.00 174.62 172.07 3nix s LEU 186 N -1.49 0.91 0.07 9.08 0.20 -0.45 -2.39 118.68 124.61 3nix s LEU 186 Ca -0.04 -0.01 -0.17 0.00 0.69 0.00 0.00 54.13 54.60 3nix s LEU 186 Cb -0.09 -0.21 0.04 0.00 -0.43 0.00 0.00 46.19 45.49 3nix s LEU 186 CO 0.01 -0.14 0.41 0.72 -0.29 0.00 0.00 176.35 177.06 3nix s PHE 187 N 1.34 -0.24 0.37 5.38 -0.12 -0.90 -1.04 117.98 122.76 3nix s PHE 187 Ca -0.05 0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.81 3nix s PHE 187 Cb -0.13 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3nix s PHE 187 CO -0.03 -0.62 0.68 -0.08 -0.05 0.00 0.00 175.22 175.12 3nix s THR 188 N -2.96 0.00 -0.14 -4.49 -1.32 -0.69 -0.58 115.64 105.45 3nix s THR 188 Ca -0.02 -1.21 -0.07 0.00 -1.21 0.00 0.00 61.69 59.18 3nix s THR 188 Cb 0.00 -2.76 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 3nix s THR 188 CO -0.06 0.00 0.10 -1.00 -2.21 0.00 0.00 174.62 171.45 3nix s HIS 189 N -2.64 3.43 -0.08 9.09 3.76 -1.26 -1.02 115.29 126.57 3nix s HIS 189 Ca 0.21 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.51 3nix s HIS 189 Cb -0.03 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 3nix s HIS 189 CO 0.14 0.49 -0.24 0.42 -0.85 0.00 0.00 174.74 174.71 3nix s ILE 190 N -0.44 2.00 -0.60 0.60 1.01 0.49 -0.47 121.20 123.79 3nix s ILE 190 Ca 0.11 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 3nix s ILE 190 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3nix s ILE 190 CO 0.02 0.55 1.99 -0.75 0.00 0.00 0.00 174.94 176.74 3nix s LYS 191 N 0.11 2.50 -0.50 2.79 2.20 -0.80 -0.16 119.74 125.87 3nix s LYS 191 Ca -0.11 0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 56.17 3nix s LYS 191 Cb -0.16 -4.46 -0.19 0.00 -1.51 0.00 0.00 37.83 31.52 3nix s LYS 191 CO 0.06 -2.89 3.36 -3.47 -0.36 0.00 0.00 175.35 172.05 3nix n ASP 192 N 13.54 6.35 -0.34 1.43 2.03 -0.21 -4.49 116.55 134.86 3nix n ASP 192 Ca 0.25 -2.57 0.17 0.00 0.52 0.00 0.00 54.79 53.16 3nix n ASP 192 Cb 0.52 -1.44 0.33 0.00 -0.72 0.00 0.00 41.12 39.81 3nix n ASP 192 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3nix h VAL 193 N 2.28 0.03 -0.85 5.18 2.07 -1.89 -0.82 116.25 122.26 3nix h VAL 193 Ca 0.40 -0.01 -0.50 0.00 0.82 0.00 0.00 66.70 67.42 3nix h VAL 193 Cb 1.10 0.01 -0.26 0.00 -1.52 0.00 0.00 31.29 30.63 3nix h VAL 193 CO 0.72 0.00 0.63 0.29 0.02 0.00 0.00 177.57 179.24 3nix n LYS 194 N -5.44 2.21 -2.04 1.57 5.02 -1.26 -4.98 118.16 113.24 3nix n LYS 194 Ca 0.25 -2.66 -0.42 0.00 -2.02 0.00 0.00 58.31 53.46 3nix n LYS 194 Cb 0.83 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3nix n LYS 194 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3nix s ARG 195 N -2.99 4.27 0.70 1.97 3.52 -0.31 -4.92 118.95 121.19 3nix s ARG 195 Ca 0.51 2.24 -0.16 0.00 -0.13 0.00 0.00 55.73 58.19 3nix s ARG 195 Cb 0.42 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 3nix s ARG 195 CO 0.06 -0.48 0.58 -2.30 -0.81 0.00 0.00 175.30 172.35 3nix n PRO 196 N 3.34 0.36 0.00 5.12 -0.02 -1.26 -5.16 135.00 137.37 3nix n PRO 196 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3nix n PRO 196 Cb 0.40 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3nix n PRO 196 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3nix n VAL 197 N -2.30 0.08 0.00 -1.45 0.31 -1.26 -5.14 118.33 108.57 3nix n VAL 197 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3nix n VAL 197 Cb 0.49 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3nix n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nix n GLY 203 N 0.44 0.95 0.98 2.92 0.00 -1.26 -5.25 105.19 103.96 3nix n GLY 203 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3nix n GLY 203 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3nix n ASN 204 N 0.00 3.81 -4.32 1.61 0.23 -1.26 -4.79 115.26 110.53 3nix n ASN 204 Ca 0.00 -2.57 -0.20 0.00 -0.53 0.00 0.00 54.58 51.28 3nix n ASN 204 Cb 0.00 -0.45 -0.11 0.00 -2.08 0.00 0.00 39.78 37.14 3nix n ASN 204 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3nix s ARG 205 N -2.04 1.25 -0.15 -3.83 1.81 -1.26 0.51 118.95 115.24 3nix s ARG 205 Ca 0.38 -1.43 -0.10 0.00 -1.72 0.00 0.00 55.73 52.85 3nix s ARG 205 Cb 0.27 -1.20 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 3nix s ARG 205 CO 0.14 0.23 0.19 -1.50 -0.68 0.00 0.00 175.30 173.68 3nix s ILE 206 N -2.33 5.39 -0.15 1.52 2.07 -1.16 -4.61 121.20 121.92 3nix s ILE 206 Ca 0.17 0.33 -0.07 0.00 -1.41 0.00 0.00 60.65 59.66 3nix s ILE 206 Cb -0.04 -3.50 -0.04 0.00 0.13 0.00 0.00 42.46 39.01 3nix s ILE 206 CO 0.06 0.50 0.10 -0.89 -1.91 0.00 0.00 174.94 172.81 3nix s THR 207 N -0.21 5.19 -0.21 4.00 2.01 -1.00 -1.16 115.64 124.26 3nix s THR 207 Ca 0.13 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3nix s THR 207 Cb -0.12 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3nix s THR 207 CO 0.03 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.48 3nix s ALA 208 N -0.35 2.96 -0.36 7.40 0.00 0.60 -1.04 121.76 130.96 3nix s ALA 208 Ca 0.10 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 3nix s ALA 208 Cb -0.12 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.25 3nix s ALA 208 CO 0.01 -0.28 0.19 0.08 0.00 0.00 0.00 175.76 175.76 3nix s VAL 209 N 1.24 4.50 -0.38 0.00 1.01 0.32 -0.50 120.40 126.60 3nix s VAL 209 Ca 0.03 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 3nix s VAL 209 Cb -0.15 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 3nix s VAL 209 CO 0.00 -0.18 2.32 0.52 0.00 0.00 0.00 175.10 177.76 3nix n VAL 210 N 4.98 0.14 -0.13 2.92 0.31 0.74 -1.44 118.33 125.84 3nix n VAL 210 Ca -0.12 -0.55 -0.27 0.00 -0.01 0.00 0.00 64.34 63.39 3nix n VAL 210 Cb 0.46 -2.46 -0.11 0.00 -0.91 0.00 0.00 33.84 30.83 3nix n VAL 210 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3nix n HIS 211 N 13.12 0.05 -4.31 3.52 -0.00 -0.56 -4.47 115.22 122.57 3nix n HIS 211 Ca 0.36 0.02 -0.16 0.00 -0.00 0.00 0.00 57.72 57.93 3nix n HIS 211 Cb 0.44 -1.01 -0.10 0.00 -0.00 0.00 0.00 29.99 29.32 3nix n HIS 211 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3nix s LYS 212 N -2.51 1.39 0.25 1.57 -0.14 -0.30 -4.98 119.74 115.02 3nix s LYS 212 Ca -0.37 -1.75 -0.03 0.00 -1.36 0.00 0.00 55.97 52.46 3nix s LYS 212 Cb 0.13 -0.25 0.46 0.00 -1.68 0.00 0.00 37.83 36.49 3nix s LYS 212 CO 0.52 -0.29 1.77 -1.00 -0.76 0.00 0.00 175.35 175.60 3nix h PRO 213 N 2.41 0.63 -0.25 -1.68 0.13 -2.01 -2.61 132.00 128.61 3nix h PRO 213 Ca -0.38 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 3nix h PRO 213 Cb 1.24 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 3nix h PRO 213 CO 0.61 0.41 -0.06 1.63 -0.23 0.00 0.00 178.00 180.36 3nix n LYS 214 N -4.85 2.14 -3.92 0.86 5.02 -1.26 -4.96 118.16 111.19 3nix n LYS 214 Ca 0.15 -2.99 -0.18 0.00 -2.02 0.00 0.00 58.31 53.28 3nix n LYS 214 Cb 0.37 -1.77 -0.16 0.00 -0.02 0.00 0.00 35.03 33.44 3nix n LYS 214 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nix s VAL 215 N -3.05 0.19 0.37 -0.18 1.01 -0.98 -2.21 120.40 115.55 3nix s VAL 215 Ca 0.42 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.53 3nix s VAL 215 Cb 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.40 3nix s VAL 215 CO 0.03 0.16 0.08 -1.66 0.00 0.00 0.00 175.10 173.71 3nix s TRP 216 N 1.14 1.89 -0.04 5.22 1.48 0.37 -1.15 118.94 127.84 3nix s TRP 216 Ca -0.08 -1.08 -0.02 0.00 -1.06 0.00 0.00 56.10 53.86 3nix s TRP 216 Cb -0.13 -1.26 0.03 0.00 -1.16 0.00 0.00 33.47 30.95 3nix s TRP 216 CO -0.02 -0.09 0.10 0.42 -4.06 0.00 0.00 176.95 173.30 3nix s ILE 217 N -3.24 -0.04 0.01 0.66 1.01 -0.52 0.41 121.20 119.50 3nix s ILE 217 Ca 0.30 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.09 3nix s ILE 217 Cb 0.06 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3nix s ILE 217 CO 0.14 0.06 0.12 -1.66 0.00 0.00 0.00 174.94 173.60 3nix s TRP 218 N 0.87 3.36 -0.28 3.97 -2.14 0.44 0.12 118.94 125.29 3nix s TRP 218 Ca -0.07 0.23 -0.03 0.00 2.66 0.00 0.00 56.10 58.90 3nix s TRP 218 Cb -0.09 -1.75 0.09 0.00 -3.10 0.00 0.00 33.47 28.62 3nix s TRP 218 CO -0.04 0.58 0.10 0.08 -2.66 0.00 0.00 176.95 175.01 3nix s VAL 219 N -1.29 0.38 -0.36 -0.66 1.01 -0.21 -2.38 120.40 116.89 3nix s VAL 219 Ca 0.26 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3nix s VAL 219 Cb -0.12 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.10 3nix s VAL 219 CO 0.18 -0.60 0.13 -0.63 0.00 0.00 0.00 175.10 174.18 3nix s ILE 220 N 1.88 3.57 -0.16 2.22 1.01 -0.12 -2.38 121.20 127.23 3nix s ILE 220 Ca 0.07 -1.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.04 3nix s ILE 220 Cb -0.17 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3nix s ILE 220 CO -0.26 -0.33 0.82 -2.16 0.00 0.00 0.00 174.94 173.01 3nix s PRO 221 N 1.32 4.31 0.44 2.79 0.04 -1.26 0.77 135.00 143.40 3nix s PRO 221 Ca 0.00 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.08 3nix s PRO 221 Cb -0.21 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.77 3nix s PRO 221 CO 0.00 -0.30 0.62 -0.06 0.04 0.00 0.00 177.00 177.30 3nix s PHE 222 N 2.06 3.06 -1.29 0.56 0.08 0.16 -4.77 117.98 117.85 3nix s PHE 222 Ca 0.38 -0.03 0.30 0.00 0.12 0.00 0.00 56.93 57.69 3nix s PHE 222 Cb -0.17 -2.33 1.36 0.00 -0.57 0.00 0.00 43.02 41.32 3nix s PHE 222 CO 0.13 -0.38 1.97 -1.13 -0.10 0.00 0.00 175.22 175.71 3nix n SER 223 N -1.98 0.06 -1.60 1.36 3.41 -1.26 -3.75 113.62 109.86 3nix n SER 223 Ca 0.03 0.03 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 3nix n SER 223 Cb 0.58 -0.32 0.26 0.00 -0.26 0.00 0.00 64.21 64.48 3nix n SER 223 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3nix n ASN 224 N -1.33 4.29 0.00 4.04 0.23 -1.26 -4.87 115.26 116.35 3nix n ASN 224 Ca 0.12 -2.78 0.00 0.00 -0.53 0.00 0.00 54.58 51.38 3nix n ASN 224 Cb 0.28 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 3nix n ASN 224 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3nix n GLY 225 N 0.22 3.11 3.93 4.83 0.00 -1.25 -5.01 105.19 111.03 3nix n GLY 225 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 3nix n GLY 225 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nix s ASN 226 N -0.95 6.33 -0.03 1.61 0.02 -1.26 -1.04 114.94 119.61 3nix s ASN 226 Ca 0.00 0.51 0.01 0.00 -1.02 0.00 0.00 52.86 52.36 3nix s ASN 226 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 41.25 39.23 3nix s ASN 226 CO 0.00 -0.27 -0.04 -0.89 0.02 0.00 0.00 177.10 175.92 3nix s THR 227 N -2.26 0.43 -0.06 1.60 2.01 0.78 -0.66 115.64 117.49 3nix s THR 227 Ca 0.41 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.07 3nix s THR 227 Cb -0.10 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3nix s THR 227 CO 0.35 0.18 0.68 -0.55 -0.69 0.00 0.00 174.62 174.59 3nix s SER 228 N 0.64 6.98 -0.05 3.53 0.15 0.23 -0.38 113.70 124.80 3nix s SER 228 Ca -0.08 1.18 0.02 0.00 0.70 0.00 0.00 55.95 57.77 3nix s SER 228 Cb -0.11 -2.40 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 3nix s SER 228 CO -0.00 -0.08 -0.09 -0.69 1.20 0.00 0.00 173.24 173.58 3nix s VAL 229 N 0.65 0.86 -0.04 4.45 1.01 -0.19 -0.94 120.40 126.20 3nix s VAL 229 Ca 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 3nix s VAL 229 Cb -0.18 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3nix s VAL 229 CO 0.18 0.29 0.09 -0.83 0.00 0.00 0.00 175.10 174.83 3nix s GLY 230 N 0.71 0.03 -0.02 4.51 0.00 -1.00 -1.70 107.32 109.85 3nix s GLY 230 Ca -0.12 0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 3nix s GLY 230 CO 0.02 0.83 0.63 -1.36 0.00 0.00 0.00 173.10 173.22 3nix s PHE 231 N 1.10 3.66 0.02 1.90 0.40 -0.21 -0.42 117.98 124.44 3nix s PHE 231 Ca -0.09 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.49 3nix s PHE 231 Cb -0.12 -2.66 -0.02 0.00 0.51 0.00 0.00 43.02 40.73 3nix s PHE 231 CO -0.04 0.29 -0.10 0.08 0.70 0.00 0.00 175.22 176.15 3nix s VAL 232 N 0.04 0.73 -5.00 -0.44 1.01 0.17 -1.34 120.40 115.57 3nix s VAL 232 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3nix s VAL 232 Cb -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3nix s VAL 232 CO 0.18 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3nix n GLY 233 N 2.21 0.53 3.40 4.51 0.00 -0.31 -0.48 105.19 115.05 3nix n GLY 233 Ca -0.17 -1.46 -0.61 0.00 0.00 0.00 0.00 46.02 43.78 3nix n GLY 233 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nix n GLU 234 N 0.00 0.15 -0.22 1.61 1.02 -0.94 -0.32 120.64 121.95 3nix n GLU 234 Ca 0.00 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 3nix n GLU 234 Cb 0.00 -1.62 0.06 0.00 -0.02 0.00 0.00 31.44 29.86 3nix n GLU 234 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3nix h PRO 235 N 8.37 -0.05 -1.12 3.49 0.11 -1.88 -0.85 132.00 140.07 3nix h PRO 235 Ca -0.21 0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.22 3nix h PRO 235 Cb 1.40 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.43 3nix h PRO 235 CO 1.05 -0.03 0.74 0.66 -0.21 0.00 0.00 178.00 180.22 3nix h SER 236 N -0.05 0.31 0.15 -2.05 4.64 -1.98 -1.23 113.55 113.34 3nix h SER 236 Ca 0.30 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3nix h SER 236 Cb 0.52 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3nix h SER 236 CO -0.70 0.02 -0.07 0.22 -0.87 0.00 0.00 176.83 175.44 3nix h TYR 237 N 0.26 -0.18 -0.86 4.77 3.20 -1.52 -2.68 116.97 119.96 3nix h TYR 237 Ca 0.63 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.66 3nix h TYR 237 Cb 1.86 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 40.12 3nix h TYR 237 CO -0.00 -0.03 0.57 0.74 -1.64 0.00 0.00 178.16 177.79 3nix h PHE 238 N -0.29 0.62 0.00 -3.82 -1.00 -1.27 -1.00 116.94 110.17 3nix h PHE 238 Ca -0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3nix h PHE 238 Cb 0.23 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3nix h PHE 238 CO -0.04 0.20 0.00 -0.25 -1.61 0.00 0.00 178.31 176.61 3nix n ASP 239 N -4.53 0.00 0.17 2.17 8.00 -1.01 -2.17 116.55 119.18 3nix n ASP 239 Ca 0.18 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.46 3nix n ASP 239 Cb 0.59 -0.14 0.23 0.00 -0.02 0.00 0.00 41.12 41.78 3nix n ASP 239 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3nix h GLU 240 N 0.00 0.00 -5.65 -1.24 5.08 -1.16 -3.44 114.58 108.16 3nix h GLU 240 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3nix h GLU 240 Cb 0.09 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.19 3nix h GLU 240 CO 0.00 0.00 -0.59 0.71 -1.00 0.00 0.00 179.01 178.13 3nix s TYR 241 N -3.18 3.23 0.25 4.33 1.51 -0.92 -5.12 117.35 117.44 3nix s TYR 241 Ca 0.08 0.14 0.10 0.00 -1.01 0.00 0.00 57.07 56.38 3nix s TYR 241 Cb 0.08 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3nix s TYR 241 CO 0.66 0.35 -0.11 0.95 -1.11 0.00 0.00 175.55 176.29 3nix s THR 242 N -0.40 2.98 0.00 -0.71 -4.23 -1.26 -5.01 115.64 107.00 3nix s THR 242 Ca 0.08 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3nix s THR 242 Cb -0.12 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3nix s THR 242 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3nix n GLY 243 N -0.51 0.27 3.69 3.99 0.00 -1.26 -4.61 105.19 106.76 3nix n GLY 243 Ca -0.07 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 3nix n GLY 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nix s THR 244 N -0.15 2.20 0.20 2.61 -4.23 -1.26 -4.72 115.64 110.29 3nix s THR 244 Ca 0.00 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 3nix s THR 244 Cb 0.00 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.78 3nix s THR 244 CO 0.00 -0.08 1.63 -0.65 -0.54 0.00 0.00 174.62 174.98 3nix h PRO 245 N -1.51 -0.03 -0.35 3.99 0.11 -1.97 -0.21 132.00 132.03 3nix h PRO 245 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3nix h PRO 245 Cb 1.27 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3nix h PRO 245 CO 0.44 -0.02 0.12 1.49 -0.21 0.00 0.00 178.00 179.81 3nix h GLU 246 N -0.03 0.50 -0.41 1.05 4.81 -1.91 -2.63 114.58 115.95 3nix h GLU 246 Ca 0.27 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3nix h GLU 246 Cb 0.44 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3nix h GLU 246 CO -0.59 0.43 -0.26 0.93 -0.73 0.00 0.00 179.01 178.79 3nix h GLU 247 N 0.49 0.86 -1.04 1.92 5.08 -1.44 -2.39 114.58 118.07 3nix h GLU 247 Ca 0.12 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3nix h GLU 247 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3nix h GLU 247 CO -0.01 1.02 0.00 0.54 -1.00 0.00 0.00 179.01 179.56 3nix n ARG 248 N -4.09 0.94 0.00 2.33 1.74 -0.35 -1.46 116.66 115.76 3nix n ARG 248 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3nix n ARG 248 Cb 0.47 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3nix n ARG 248 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nix n ARG 250 N 0.44 0.00 0.00 5.56 1.74 -0.90 -4.53 116.66 118.97 3nix n ARG 250 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3nix n ARG 250 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 3nix n ARG 250 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nix n ALA 251 N 0.00 2.48 0.00 7.54 0.00 -0.54 -2.13 120.51 127.86 3nix n ALA 251 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nix n ALA 251 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3nix n ALA 251 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3nix n ILE 253 N 0.46 0.00 0.20 0.00 5.41 -1.26 -2.98 119.36 121.18 3nix n ILE 253 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3nix n ILE 253 Cb 0.46 0.00 0.65 0.00 -0.71 0.00 0.00 39.64 40.04 3nix n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3nix h ALA 254 N 0.00 1.00 -0.50 -1.39 0.00 -1.75 -0.33 119.26 116.29 3nix h ALA 254 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nix h ALA 254 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nix h ALA 254 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3nix n ASN 255 N -2.35 3.05 -3.99 0.00 4.13 -1.16 -4.79 115.26 110.15 3nix n ASN 255 Ca -0.01 -2.11 -0.30 0.00 1.68 0.00 0.00 54.58 53.83 3nix n ASN 255 Cb 0.05 -0.40 -0.16 0.00 -1.54 0.00 0.00 39.78 37.74 3nix n ASN 255 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3nix s GLU 256 N -1.46 1.97 0.37 3.52 2.56 -0.13 -5.01 118.70 120.53 3nix s GLU 256 Ca 0.35 -0.86 0.07 0.00 0.00 0.00 0.00 54.97 54.53 3nix s GLU 256 Cb 0.20 -2.43 0.78 0.00 2.00 0.00 0.00 34.13 34.68 3nix s GLU 256 CO 0.22 -0.45 1.96 0.78 -0.56 0.00 0.00 175.26 177.21 3nix h GLY 257 N 7.97 0.90 2.00 -1.50 0.00 -1.87 0.57 103.07 111.15 3nix h GLY 257 Ca -0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 3nix h GLY 257 CO 0.47 0.21 -0.13 0.84 0.00 0.00 0.00 176.54 177.92 3nix h HIS 258 N 0.71 0.00 0.00 5.60 6.17 -1.94 -3.29 115.15 122.41 3nix h HIS 258 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.38 3nix h HIS 258 Cb 0.29 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3nix h HIS 258 CO -0.00 0.13 -0.17 0.44 0.71 0.00 0.00 177.93 179.04 3nix n ILE 259 N -4.26 0.00 -0.17 6.26 -5.35 -0.70 -4.84 119.36 110.30 3nix n ILE 259 Ca -0.03 -0.30 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 3nix n ILE 259 Cb 0.21 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 38.91 3nix n ILE 259 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nix h ALA 260 N 0.00 -0.50 -0.10 -1.28 0.00 0.04 -1.18 119.26 116.24 3nix h ALA 260 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3nix h ALA 260 Cb 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3nix h ALA 260 CO 0.00 -0.72 -0.32 1.49 0.00 0.00 0.00 179.25 179.71 3nix h GLU 261 N -0.14 0.20 -0.45 0.00 4.57 -1.84 -1.41 114.58 115.50 3nix h GLU 261 Ca 0.07 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3nix h GLU 261 Cb 0.33 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3nix h GLU 261 CO -0.49 0.50 0.23 -0.09 -1.18 0.00 0.00 179.01 177.99 3nix h ARG 262 N 0.17 0.45 0.00 1.92 2.43 -1.56 -3.26 114.38 114.55 3nix h ARG 262 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3nix h ARG 262 Cb 0.65 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3nix h ARG 262 CO 0.05 0.30 -0.82 1.19 -1.51 0.00 0.00 179.97 179.18 3nix n PHE 263 N -4.89 0.00 -1.64 2.20 3.72 -0.93 -4.51 117.46 111.41 3nix n PHE 263 Ca 0.03 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.95 3nix n PHE 263 Cb 0.11 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 3nix n PHE 263 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3nix n LYS 264 N -1.41 1.78 -0.89 -1.08 4.81 -0.55 -0.91 118.16 119.91 3nix n LYS 264 Ca 0.03 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3nix n LYS 264 Cb 0.27 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3nix n LYS 264 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3nix n SER 265 N 3.10 -3.06 -4.85 3.14 7.64 -1.26 -4.98 113.62 113.35 3nix n SER 265 Ca 0.17 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.73 3nix n SER 265 Cb 0.25 -2.03 -0.06 0.00 -1.01 0.00 0.00 64.21 61.36 3nix n SER 265 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3nix s GLU 266 N -1.00 3.97 0.48 1.43 0.41 -0.09 -5.04 118.70 118.86 3nix s GLU 266 Ca 0.00 0.61 -0.20 0.00 -0.41 0.00 0.00 54.97 54.97 3nix s GLU 266 Cb 0.00 -2.47 -0.09 0.00 -1.78 0.00 0.00 34.13 29.80 3nix s GLU 266 CO 0.00 0.18 1.02 -2.00 -0.49 0.00 0.00 175.26 173.98 3nix s GLU 267 N -2.95 3.87 -0.08 1.61 2.56 -1.26 -4.90 118.70 117.55 3nix s GLU 267 Ca 0.53 1.32 -0.05 0.00 0.00 0.00 0.00 54.97 56.77 3nix s GLU 267 Cb -0.10 -2.11 -0.04 0.00 2.00 0.00 0.00 34.13 33.88 3nix s GLU 267 CO 0.18 -0.37 0.15 -0.06 -0.56 0.00 0.00 175.26 174.60 3nix s PHE 268 N -2.01 3.55 0.00 5.30 0.08 -1.26 -1.91 117.98 121.73 3nix s PHE 268 Ca 0.66 0.44 0.16 0.00 0.12 0.00 0.00 56.93 58.32 3nix s PHE 268 Cb -0.15 -1.89 0.28 0.00 -0.57 0.00 0.00 43.02 40.69 3nix s PHE 268 CO 0.19 0.69 1.54 -0.07 -0.10 0.00 0.00 175.22 177.47 3nix h LEU 269 N 4.55 0.00 -7.30 -0.37 -0.00 -1.15 -3.46 115.31 107.57 3nix h LEU 269 Ca -0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.28 3nix h LEU 269 Cb 1.21 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.70 3nix h LEU 269 CO 0.62 0.50 -0.05 0.72 -0.00 0.00 0.00 178.44 180.23 3nix s PHE 270 N -3.19 -0.34 -0.14 1.13 -0.71 -1.26 -5.02 117.98 108.45 3nix s PHE 270 Ca 0.02 0.36 -0.35 0.00 -1.04 0.00 0.00 56.93 55.92 3nix s PHE 270 Cb 0.09 0.27 -0.12 0.00 -1.21 0.00 0.00 43.02 42.05 3nix s PHE 270 CO 0.73 -0.59 1.91 -1.91 -1.34 0.00 0.00 175.22 174.02 3nix n GLU 271 N 0.53 1.95 -1.30 1.99 2.13 -1.26 -4.65 120.64 120.04 3nix n GLU 271 Ca -0.19 0.70 -0.41 0.00 0.66 0.00 0.00 57.16 57.93 3nix n GLU 271 Cb 0.60 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3nix n GLU 271 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3nix n PRO 272 N 6.72 0.06 -4.28 5.31 -0.02 -1.26 -4.95 135.00 136.59 3nix n PRO 272 Ca 0.25 0.02 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 3nix n PRO 272 Cb 0.27 -1.07 -0.12 0.00 -0.02 0.00 0.00 33.50 32.56 3nix n PRO 272 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3nix s ARG 273 N -1.09 1.08 -0.17 -0.52 0.52 0.25 -4.78 118.95 114.24 3nix s ARG 273 Ca 0.59 -1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3nix s ARG 273 Cb -0.58 -1.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.56 3nix s ARG 273 CO 0.63 0.30 -0.03 0.99 0.02 0.00 0.00 175.30 177.21 3nix s THR 274 N -1.17 3.88 -0.08 0.02 2.01 -1.26 -2.12 115.64 116.92 3nix s THR 274 Ca 0.05 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.74 3nix s THR 274 Cb -0.10 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3nix s THR 274 CO 0.04 0.48 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.61 3nix s ILE 275 N 0.52 1.82 -0.01 1.82 1.01 -1.01 -5.00 121.20 120.36 3nix s ILE 275 Ca -0.03 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3nix s ILE 275 Cb -0.14 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 3nix s ILE 275 CO 0.03 0.51 -0.17 -0.70 0.00 0.00 0.00 174.94 174.60 3nix s GLU 276 N 0.30 1.37 -0.98 2.79 2.12 -1.26 -0.25 118.70 122.79 3nix s GLU 276 Ca -0.14 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 3nix s GLU 276 Cb -0.16 -1.34 0.00 0.00 0.26 0.00 0.00 34.13 32.89 3nix s GLU 276 CO 0.07 0.37 0.84 0.41 -0.54 0.00 0.00 175.26 176.40 3nix n GLY 277 N 2.56 -0.17 0.10 -1.50 0.00 -0.81 -4.91 105.19 100.47 3nix n GLY 277 Ca -0.15 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 3nix n GLY 277 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3nix n TYR 278 N -4.01 0.64 -2.78 1.61 0.18 -1.26 -4.77 117.16 106.76 3nix n TYR 278 Ca -0.07 0.25 -0.42 0.00 1.88 0.00 0.00 57.90 59.54 3nix n TYR 278 Cb 0.57 -0.91 -0.03 0.00 -0.38 0.00 0.00 39.34 38.59 3nix n TYR 278 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3nix s ALA 279 N -3.26 3.57 -0.09 -3.48 0.00 -1.26 -4.76 121.76 112.47 3nix s ALA 279 Ca 0.05 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 3nix s ALA 279 Cb 0.09 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.90 3nix s ALA 279 CO 0.36 -0.80 0.59 -1.50 0.00 0.00 0.00 175.76 174.41 3nix s ILE 280 N 2.54 0.01 0.38 0.00 1.10 -1.14 -4.30 121.20 119.79 3nix s ILE 280 Ca 0.41 -0.09 0.02 0.00 -0.51 0.00 0.00 60.65 60.48 3nix s ILE 280 Cb -0.16 -0.89 -0.01 0.00 0.15 0.00 0.00 42.46 41.56 3nix s ILE 280 CO 0.11 -0.05 0.06 -0.24 -2.11 0.00 0.00 174.94 172.70 3nix n SER 281 N 1.48 2.22 -4.23 4.50 2.88 0.30 -1.28 113.62 119.49 3nix n SER 281 Ca -0.18 -2.80 -0.21 0.00 -1.33 0.00 0.00 58.87 54.35 3nix n SER 281 Cb 0.56 0.55 -0.12 0.00 -0.75 0.00 0.00 64.21 64.45 3nix n SER 281 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nix s ALA 282 N -2.80 1.51 0.06 -1.46 0.00 -1.17 0.42 121.76 118.31 3nix s ALA 282 Ca 0.08 -1.12 -0.33 0.00 0.00 0.00 0.00 51.96 50.59 3nix s ALA 282 Cb 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 23.12 22.75 3nix s ALA 282 CO 0.06 0.27 1.56 0.66 0.00 0.00 0.00 175.76 178.31 3nix h SER 283 N 4.22 -0.81 -3.36 0.00 4.64 0.15 -3.44 113.55 114.95 3nix h SER 283 Ca -0.43 0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.46 3nix h SER 283 Cb 1.18 0.21 -0.15 0.00 -0.31 0.00 0.00 62.40 63.33 3nix h SER 283 CO 0.40 -0.56 -0.74 -1.59 -0.87 0.00 0.00 176.83 173.47 3nix s LYS 284 N -5.87 1.28 0.00 4.77 -2.85 -1.26 -5.05 119.74 110.76 3nix s LYS 284 Ca -0.18 -1.53 0.20 0.00 -1.00 0.00 0.00 55.97 53.46 3nix s LYS 284 Cb 0.03 -1.09 -0.09 0.00 -2.06 0.00 0.00 37.83 34.62 3nix s LYS 284 CO 0.60 0.19 0.92 1.28 0.10 0.00 0.00 175.35 178.44 3nix n LEU 285 N -0.22 1.49 -3.96 2.77 4.32 -1.26 -4.96 117.00 115.18 3nix n LEU 285 Ca -0.09 -0.66 -0.10 0.00 -0.02 0.00 0.00 56.01 55.14 3nix n LEU 285 Cb 0.60 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 3nix n LEU 285 CO 0.33 0.30 0.29 -0.72 -1.22 0.00 0.00 177.39 176.37 3nix s TYR 286 N -2.48 0.38 -0.25 -1.77 1.13 -1.26 0.30 117.35 113.40 3nix s TYR 286 Ca 0.13 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 3nix s TYR 286 Cb 0.15 0.35 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 3nix s TYR 286 CO 0.62 -1.18 0.00 0.41 -2.51 0.00 0.00 175.55 172.89 3nix n GLY 287 N -0.46 -1.20 3.64 5.49 0.00 -0.94 -4.99 105.19 106.72 3nix n GLY 287 Ca -0.03 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 3nix n GLY 287 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nix n ASP 288 N 0.15 3.75 0.00 1.61 8.00 -1.26 -2.20 116.55 126.60 3nix n ASP 288 Ca 0.00 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.19 3nix n ASP 288 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 3nix n ASP 288 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nix n GLY 289 N 4.97 0.78 3.28 0.44 0.00 -1.26 -4.76 105.19 108.64 3nix n GLY 289 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 3nix n GLY 289 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3nix s PHE 290 N -3.04 -0.13 0.04 1.61 -0.71 -0.94 -0.22 117.98 114.60 3nix s PHE 290 Ca 0.00 -0.10 0.02 0.00 -1.04 0.00 0.00 56.93 55.81 3nix s PHE 290 Cb 0.00 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 3nix s PHE 290 CO 0.00 -0.59 -0.07 0.54 -1.34 0.00 0.00 175.22 173.76 3nix s VAL 291 N -3.19 0.48 0.16 -2.49 0.11 -1.00 -2.21 120.40 112.25 3nix s VAL 291 Ca -0.01 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 3nix s VAL 291 Cb 0.01 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 3nix s VAL 291 CO -0.07 -0.36 0.32 -0.76 -3.33 0.00 0.00 175.10 170.89 3nix s LEU 292 N -1.47 4.30 0.13 2.54 1.43 0.15 -2.05 118.68 123.71 3nix s LEU 292 Ca -0.10 0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.17 3nix s LEU 292 Cb -0.09 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3nix s LEU 292 CO 0.00 0.03 0.27 0.42 0.23 0.00 0.00 176.35 177.30 3nix s THR 293 N -1.77 0.09 0.00 5.49 -4.23 -0.94 -4.86 115.64 109.43 3nix s THR 293 Ca 0.36 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3nix s THR 293 Cb -0.11 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3nix s THR 293 CO 0.29 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3nix n GLY 294 N -0.16 2.93 0.00 3.99 0.00 -1.26 -2.10 105.19 108.59 3nix n GLY 294 Ca -0.11 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3nix n GLY 294 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nix n ASN 295 N 2.00 0.00 0.03 1.61 5.03 -1.26 -1.37 115.26 121.29 3nix n ASN 295 Ca 0.00 -1.11 0.13 0.00 0.87 0.00 0.00 54.58 54.47 3nix n ASN 295 Cb 0.00 0.00 0.48 0.00 -1.02 0.00 0.00 39.78 39.24 3nix n ASN 295 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nix n ALA 296 N -0.92 2.55 -1.43 5.41 0.00 -0.89 -4.38 120.51 120.85 3nix n ALA 296 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3nix n ALA 296 Cb 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3nix n ALA 296 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3nix n THR 297 N -1.73 0.00 -4.12 0.00 -1.04 -0.47 -4.76 114.28 102.15 3nix n THR 297 Ca 0.06 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 3nix n THR 297 Cb 0.37 -0.10 -0.15 0.00 -1.82 0.00 0.00 70.33 68.64 3nix n THR 297 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3nix s GLU 298 N 0.24 0.40 -0.05 -2.82 2.12 -1.23 -3.07 118.70 114.28 3nix s GLU 298 Ca 0.00 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.24 3nix s GLU 298 Cb 0.00 -0.40 -0.01 0.00 0.26 0.00 0.00 34.13 33.98 3nix s GLU 298 CO 0.00 0.08 -0.24 0.12 -0.54 0.00 0.00 175.26 174.68 3nix s PHE 299 N 0.01 2.31 0.00 5.30 5.36 -0.40 -4.69 117.98 125.86 3nix s PHE 299 Ca 0.00 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 3nix s PHE 299 Cb -0.03 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.13 3nix s PHE 299 CO -0.00 -0.19 0.00 1.28 -1.46 0.00 0.00 175.22 174.85 3nix n LEU 300 N 2.92 0.00 -3.65 6.12 4.77 -1.26 -2.88 117.00 123.01 3nix n LEU 300 Ca -0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 3nix n LEU 300 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3nix n LEU 300 CO 0.25 0.00 0.17 -0.62 -1.33 0.00 0.00 177.39 175.86 3nix s ASP 301 N -1.00 -0.30 0.00 -1.43 2.15 -1.26 -4.54 116.67 110.29 3nix s ASP 301 Ca 0.00 -0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.03 3nix s ASP 301 Cb 0.00 0.44 0.19 0.00 -0.30 0.00 0.00 42.92 43.25 3nix s ASP 301 CO 0.00 -0.68 1.15 -0.81 -0.17 0.00 0.00 175.17 174.66 3nix n PRO 302 N 0.44 1.38 0.06 4.34 -0.04 -1.26 -4.38 135.00 135.55 3nix n PRO 302 Ca -0.18 -0.60 0.04 0.00 -0.04 0.00 0.00 63.50 62.73 3nix n PRO 302 Cb 0.60 -1.14 0.46 0.00 -0.04 0.00 0.00 33.50 33.38 3nix n PRO 302 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3nix h ILE 303 N 0.98 1.09 -0.24 0.52 2.04 -2.01 -2.68 117.51 117.21 3nix h ILE 303 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3nix h ILE 303 Cb 0.22 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3nix h ILE 303 CO 0.00 0.10 0.00 0.49 0.00 0.00 0.00 178.15 178.74 3nix n PHE 304 N -4.47 0.86 -4.06 1.37 3.72 -1.26 -4.99 117.46 108.63 3nix n PHE 304 Ca 0.02 -0.88 -0.30 0.00 -0.05 0.00 0.00 57.45 56.24 3nix n PHE 304 Cb 0.09 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 3nix n PHE 304 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 305 N -0.57 -0.65 -0.75 4.37 7.64 -1.01 -4.88 113.62 117.78 3nix n SER 305 Ca 0.21 -1.12 0.10 0.00 1.01 0.00 0.00 58.87 59.06 3nix n SER 305 Cb 0.86 -2.48 0.07 0.00 -1.01 0.00 0.00 64.21 61.65 3nix n SER 305 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3nix n SER 306 N -2.86 2.55 0.33 6.43 3.41 -1.26 -4.43 113.62 117.79 3nix n SER 306 Ca -0.28 -1.77 -0.17 0.00 -0.26 0.00 0.00 58.87 56.39 3nix n SER 306 Cb 0.67 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.58 3nix n SER 306 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3nix h GLY 307 N 3.85 -0.85 1.42 5.00 0.00 -1.90 0.88 103.07 111.46 3nix h GLY 307 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.68 3nix h GLY 307 CO 0.00 -0.31 0.32 0.00 0.00 0.00 0.00 176.54 176.55 3nix h ALA 308 N -0.53 1.79 -0.19 3.60 0.00 -1.87 -0.32 119.26 121.73 3nix h ALA 308 Ca -0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3nix h ALA 308 Cb 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3nix h ALA 308 CO 0.14 0.16 -0.61 1.15 0.00 0.00 0.00 179.25 180.09 3nix h THR 309 N 0.53 1.31 0.26 0.00 2.02 -1.74 -3.23 112.91 112.06 3nix h THR 309 Ca 0.19 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 3nix h THR 309 Cb 0.11 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3nix h THR 309 CO -0.05 0.58 -0.12 -0.26 0.37 0.00 0.00 175.52 176.04 3nix h PHE 310 N 0.48 -0.32 0.00 3.16 0.04 -0.52 0.20 116.94 119.98 3nix h PHE 310 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3nix h PHE 310 Cb 1.18 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3nix h PHE 310 CO 0.06 -0.03 0.00 0.00 -0.60 0.00 0.00 178.31 177.73 3nix n ALA 311 N -2.39 0.26 0.00 2.45 0.00 -0.16 -0.08 120.51 120.59 3nix n ALA 311 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3nix n ALA 311 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3nix n ALA 311 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3nix n GLU 313 N -0.02 0.00 0.14 0.00 4.07 0.71 -0.48 120.64 125.06 3nix n GLU 313 Ca 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.13 3nix n GLU 313 Cb 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.40 3nix n GLU 313 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3nix h SER 314 N 0.00 0.00 -0.19 4.31 4.64 -0.75 -2.69 113.55 118.88 3nix h SER 314 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3nix h SER 314 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3nix h SER 314 CO 0.00 0.49 -0.38 1.23 -0.87 0.00 0.00 176.83 177.30 3nix h GLY 315 N 3.52 0.78 0.81 -0.77 0.00 -0.99 -0.53 103.07 105.90 3nix h GLY 315 Ca -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3nix h GLY 315 CO 0.06 0.70 -0.22 0.23 0.00 0.00 0.00 176.54 177.31 3nix h SER 316 N 0.59 -0.53 0.00 0.19 0.87 -1.78 0.15 113.55 113.04 3nix h SER 316 Ca 0.05 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3nix h SER 316 Cb 0.92 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 3nix h SER 316 CO 0.08 -0.24 -0.10 0.11 -0.53 0.00 0.00 176.83 176.16 3nix h LYS 317 N -0.82 -0.16 -0.34 2.24 1.79 -1.50 0.11 116.57 117.90 3nix h LYS 317 Ca -0.06 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3nix h LYS 317 Cb 0.56 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 3nix h LYS 317 CO 0.10 -0.11 0.14 0.78 -1.08 0.00 0.00 179.45 179.28 3nix h GLY 318 N -0.17 0.44 0.11 3.86 0.00 -1.08 0.40 103.07 106.64 3nix h GLY 318 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3nix h GLY 318 CO -0.10 0.05 -0.38 -1.33 0.00 0.00 0.00 176.54 174.78 3nix h GLY 319 N 0.29 -1.18 1.76 4.60 0.00 -0.51 0.30 103.07 108.34 3nix h GLY 319 Ca 0.15 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 3nix h GLY 319 CO -0.13 -0.32 0.08 0.50 0.00 0.00 0.00 176.54 176.66 3nix h LYS 320 N -0.57 0.31 -0.02 4.80 1.57 -0.28 -1.53 116.57 120.86 3nix h LYS 320 Ca -0.01 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 3nix h LYS 320 Cb 0.56 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.82 3nix h LYS 320 CO -0.19 0.28 -0.67 -0.07 -0.57 0.00 0.00 179.45 178.22 3nix h LEU 321 N 0.31 0.62 -0.93 2.94 3.38 0.01 -2.81 115.31 118.84 3nix h LEU 321 Ca 0.08 -0.73 0.18 0.00 0.09 0.00 0.00 57.88 57.49 3nix h LEU 321 Cb 0.09 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 3nix h LEU 321 CO -0.01 1.27 0.52 0.00 0.09 0.00 0.00 178.44 180.31 3nix h ALA 322 N 0.36 1.49 -0.64 1.53 0.00 0.32 -0.33 119.26 122.00 3nix h ALA 322 Ca -0.08 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3nix h ALA 322 Cb 1.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3nix h ALA 322 CO 0.13 -0.10 0.17 0.28 0.00 0.00 0.00 179.25 179.73 3nix h VAL 323 N 0.66 1.25 -0.70 0.00 2.07 -1.23 -0.27 116.25 118.03 3nix h VAL 323 Ca 0.53 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3nix h VAL 323 Cb 0.83 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3nix h VAL 323 CO -0.40 0.34 0.40 1.56 0.02 0.00 0.00 177.57 179.50 3nix h GLN 324 N 0.93 0.72 0.49 1.57 1.08 -0.91 -2.01 115.11 116.98 3nix h GLN 324 Ca 0.20 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 3nix h GLN 324 Cb 0.33 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3nix h GLN 324 CO -0.00 0.48 -0.24 0.35 -0.95 0.00 0.00 178.83 178.47 3nix h PHE 325 N 0.74 -0.61 -0.65 2.96 3.57 0.04 -1.46 116.94 121.53 3nix h PHE 325 Ca 0.31 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.94 3nix h PHE 325 Cb 0.17 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3nix h PHE 325 CO -0.07 -0.36 0.44 -0.07 -2.23 0.00 0.00 178.31 176.03 3nix h LEU 326 N -0.71 0.24 -0.42 0.59 3.38 -1.00 0.23 115.31 117.62 3nix h LEU 326 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3nix h LEU 326 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3nix h LEU 326 CO 0.11 0.13 0.00 0.29 0.09 0.00 0.00 178.44 179.06 3nix n LYS 327 N -4.44 0.20 0.00 1.13 5.02 -0.76 -4.87 118.16 114.44 3nix n LYS 327 Ca 0.12 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3nix n LYS 327 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3nix n LYS 327 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nix n GLY 328 N 0.46 0.34 3.64 0.72 0.00 0.07 -5.09 105.19 105.34 3nix n GLY 328 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3nix n GLY 328 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nix s GLU 329 N -0.85 0.61 0.08 1.61 0.41 -0.58 -5.00 118.70 114.99 3nix s GLU 329 Ca 0.00 1.05 -0.10 0.00 -0.41 0.00 0.00 54.97 55.52 3nix s GLU 329 Cb 0.00 -1.72 -0.06 0.00 -1.78 0.00 0.00 34.13 30.58 3nix s GLU 329 CO 0.00 -2.75 0.40 -2.00 -0.49 0.00 0.00 175.26 170.42 3nix s GLU 330 N -4.72 3.75 -0.11 1.61 2.12 -1.26 -4.46 118.70 115.63 3nix s GLU 330 Ca 0.66 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 56.15 3nix s GLU 330 Cb -0.21 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.21 3nix s GLU 330 CO 0.59 0.55 -0.09 0.08 -0.54 0.00 0.00 175.26 175.86 3nix s VAL 331 N -1.41 1.12 -1.02 3.70 1.01 -1.26 -4.93 120.40 117.60 3nix s VAL 331 Ca 0.33 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3nix s VAL 331 Cb -0.14 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.26 3nix s VAL 331 CO 0.18 0.38 1.26 0.21 0.00 0.00 0.00 175.10 177.13 3nix s ASN 332 N 1.56 6.73 0.24 3.32 3.84 -1.26 -4.84 114.94 124.53 3nix s ASN 332 Ca 0.03 -2.23 -0.06 0.00 0.21 0.00 0.00 52.86 50.81 3nix s ASN 332 Cb -0.13 -2.42 0.31 0.00 -0.55 0.00 0.00 41.25 38.46 3nix s ASN 332 CO -0.07 -1.03 1.86 -0.50 -2.79 0.00 0.00 177.10 174.56 3nix h TRP 333 N 8.47 1.01 -1.01 0.43 4.06 -1.96 0.37 115.95 127.33 3nix h TRP 333 Ca 0.21 0.03 0.12 0.00 2.06 0.00 0.00 58.89 61.31 3nix h TRP 333 Cb 0.98 -0.33 -0.08 0.00 -1.00 0.00 0.00 29.16 28.73 3nix h TRP 333 CO 1.17 0.54 0.63 1.49 -3.56 0.00 0.00 178.44 178.72 3nix h GLU 334 N 1.02 0.97 0.00 0.49 4.57 -1.96 -1.04 114.58 118.62 3nix h GLU 334 Ca 0.37 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.33 3nix h GLU 334 Cb 0.11 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3nix h GLU 334 CO -0.15 0.64 -1.10 1.17 -1.18 0.00 0.00 179.01 178.39 3nix n LYS 335 N -4.61 0.52 0.20 1.92 4.81 -0.40 -1.47 118.16 119.12 3nix n LYS 335 Ca 0.19 0.50 0.09 0.00 -0.87 0.00 0.00 58.31 58.21 3nix n LYS 335 Cb 0.35 -1.68 0.32 0.00 0.02 0.00 0.00 35.03 34.05 3nix n LYS 335 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3nix h ASP 336 N -1.00 0.00 0.00 3.14 5.19 -0.41 -3.34 116.42 120.00 3nix h ASP 336 Ca -0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 3nix h ASP 336 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 3nix h ASP 336 CO -0.14 0.25 -0.10 0.33 -3.12 0.00 0.00 179.24 176.46 3nix n PHE 337 N -3.28 0.00 -0.10 4.55 7.35 -0.83 -4.57 117.46 120.57 3nix n PHE 337 Ca 0.01 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.61 3nix n PHE 337 Cb 0.51 -0.05 -0.02 0.00 0.35 0.00 0.00 39.48 40.28 3nix n PHE 337 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3nix h VAL 338 N -0.10 1.14 -0.38 -2.13 2.07 -1.26 -2.01 116.25 113.59 3nix h VAL 338 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3nix h VAL 338 Cb 0.10 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3nix h VAL 338 CO 0.00 0.15 0.03 -0.33 0.02 0.00 0.00 177.57 177.44 3nix h GLU 339 N 0.41 0.58 -4.72 1.57 5.08 -1.40 -3.41 114.58 112.68 3nix h GLU 339 Ca 0.12 -0.12 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3nix h GLU 339 Cb 0.08 -0.09 0.11 0.00 0.50 0.00 0.00 28.75 29.35 3nix h GLU 339 CO -0.02 0.58 1.37 1.58 -1.00 0.00 0.00 179.01 181.52 3nix n HIS 340 N -4.28 0.13 0.00 4.33 -0.00 -0.76 -4.71 115.22 109.93 3nix n HIS 340 Ca 0.02 -0.60 0.00 0.00 0.46 0.00 0.00 57.72 57.60 3nix n HIS 340 Cb 0.24 -0.79 0.00 0.00 -0.12 0.00 0.00 29.99 29.32 3nix n HIS 340 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3nix n GLN 343 N 7.21 0.00 0.09 1.57 -0.06 -1.26 -4.71 117.38 120.22 3nix n GLN 343 Ca 0.37 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 55.14 3nix n GLN 343 Cb 0.32 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.35 3nix n GLN 343 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3nix h GLY 344 N 0.00 0.47 1.03 1.69 0.00 -1.84 -3.15 103.07 101.27 3nix h GLY 344 Ca 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.06 3nix h GLY 344 CO 0.00 1.06 0.19 -2.22 0.00 0.00 0.00 176.54 175.57 3nix h ILE 345 N 0.02 1.25 -0.68 2.60 1.08 -1.93 -2.78 117.51 117.08 3nix h ILE 345 Ca -0.30 -0.88 -0.06 0.00 -0.39 0.00 0.00 64.86 63.23 3nix h ILE 345 Cb 2.04 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 3nix h ILE 345 CO 0.19 0.34 0.18 0.44 -0.69 0.00 0.00 178.15 178.61 3nix h ASP 346 N 0.95 1.01 -0.19 1.72 3.32 -1.97 -2.35 116.42 118.91 3nix h ASP 346 Ca 0.21 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.09 3nix h ASP 346 Cb 0.31 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3nix h ASP 346 CO -0.00 0.97 -0.21 0.74 -1.72 0.00 0.00 179.24 179.02 3nix h THR 347 N 1.00 0.46 -0.70 0.35 2.02 -1.49 -2.46 112.91 112.10 3nix h THR 347 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 3nix h THR 347 Cb 0.34 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3nix h THR 347 CO -0.00 0.00 0.41 -0.26 0.37 0.00 0.00 175.52 176.03 3nix h PHE 348 N -0.24 0.93 -0.22 3.16 0.04 -1.37 -2.89 116.94 116.36 3nix h PHE 348 Ca 0.12 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.94 3nix h PHE 348 Cb 0.42 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 3nix h PHE 348 CO -0.35 0.64 -0.22 -0.09 -0.60 0.00 0.00 178.31 177.70 3nix h ARG 349 N 0.95 -0.22 -1.13 1.51 2.43 -1.13 0.47 114.38 117.25 3nix h ARG 349 Ca 0.25 0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.76 3nix h ARG 349 Cb -0.00 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 3nix h ARG 349 CO -0.04 -0.15 0.72 0.77 -1.51 0.00 0.00 179.97 179.76 3nix h SER 350 N -0.23 0.38 0.42 -3.80 0.02 -1.32 0.76 113.55 109.78 3nix h SER 350 Ca 0.13 0.11 -0.31 0.00 -0.84 0.00 0.00 61.79 60.87 3nix h SER 350 Cb 0.43 0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.04 3nix h SER 350 CO -0.35 -0.01 -1.40 -0.26 -1.14 0.00 0.00 176.83 173.66 3nix h PHE 351 N 0.29 0.76 0.49 3.45 -1.00 -0.09 -1.33 116.94 119.50 3nix h PHE 351 Ca 0.67 -0.55 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 3nix h PHE 351 Cb 1.86 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.38 3nix h PHE 351 CO -0.00 1.45 -0.38 0.28 -1.61 0.00 0.00 178.31 178.04 3nix h VAL 352 N 0.11 0.23 -0.76 -0.55 2.07 0.37 0.63 116.25 118.36 3nix h VAL 352 Ca -0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.48 3nix h VAL 352 Cb 2.08 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 3nix h VAL 352 CO 0.24 0.00 0.15 0.74 0.02 0.00 0.00 177.57 178.72 3nix h THR 353 N -0.85 0.45 -0.53 2.57 2.02 -0.96 0.25 112.91 115.86 3nix h THR 353 Ca -0.05 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3nix h THR 353 Cb 0.73 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3nix h THR 353 CO 0.00 0.04 0.35 1.23 0.37 0.00 0.00 175.52 177.51 3nix h GLY 354 N 0.23 0.74 0.82 2.16 0.00 -0.49 -1.98 103.07 104.55 3nix h GLY 354 Ca 0.43 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3nix h GLY 354 CO -0.56 0.27 0.41 -0.25 0.00 0.00 0.00 176.54 176.41 3nix h TRP 355 N 0.71 0.77 0.00 5.60 2.91 0.35 -2.61 115.95 123.68 3nix h TRP 355 Ca 0.19 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 3nix h TRP 355 Cb -0.08 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.32 3nix h TRP 355 CO -0.04 0.42 -0.16 0.66 -1.03 0.00 0.00 178.44 178.30 3nix n TYR 356 N -4.71 0.02 -0.78 2.65 4.01 -0.20 -3.95 117.16 114.21 3nix n TYR 356 Ca 0.07 0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.89 3nix n TYR 356 Cb 0.11 -0.43 0.15 0.00 -0.31 0.00 0.00 39.34 38.85 3nix n TYR 356 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3nix n ASP 357 N -1.52 2.75 0.00 7.72 5.68 -0.80 -4.97 116.55 125.41 3nix n ASP 357 Ca 0.06 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.57 3nix n ASP 357 Cb 0.34 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3nix n ASP 357 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nix n GLY 358 N -0.85 3.12 0.10 6.12 0.00 -1.22 -4.89 105.19 107.57 3nix n GLY 358 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3nix n GLY 358 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3nix h THR 359 N 0.00 1.13 -0.59 2.61 1.35 -1.88 -1.81 112.91 113.73 3nix h THR 359 Ca 0.00 -0.36 -0.10 0.00 -0.55 0.00 0.00 66.41 65.39 3nix h THR 359 Cb 0.00 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 3nix h THR 359 CO 0.00 0.12 -0.03 0.25 -0.25 0.00 0.00 175.52 175.61 3nix h LEU 360 N 0.13 1.04 -0.45 3.87 5.85 -1.78 -1.47 115.31 122.50 3nix h LEU 360 Ca 0.06 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3nix h LEU 360 Cb 0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3nix h LEU 360 CO -0.01 1.10 0.27 0.45 -0.34 0.00 0.00 178.44 179.91 3nix h HIS 361 N 0.95 0.60 -0.62 1.25 3.86 -1.77 0.28 115.15 119.70 3nix h HIS 361 Ca 0.16 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3nix h HIS 361 Cb 0.59 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3nix h HIS 361 CO 0.04 0.42 0.41 0.00 0.86 0.00 0.00 177.93 179.66 3nix h ALA 362 N 1.13 1.62 -0.13 2.45 0.00 -0.93 0.12 119.26 123.53 3nix h ALA 362 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3nix h ALA 362 Cb -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3nix h ALA 362 CO -0.03 0.32 -0.19 0.28 0.00 0.00 0.00 179.25 179.63 3nix h VAL 363 N 0.78 1.37 -0.78 0.00 2.07 -0.58 -3.03 116.25 116.07 3nix h VAL 363 Ca 0.24 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 3nix h VAL 363 Cb 0.02 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3nix h VAL 363 CO -0.06 0.42 0.35 -0.26 0.02 0.00 0.00 177.57 178.03 3nix h PHE 364 N -0.05 1.14 -0.44 1.57 -1.00 0.55 -3.25 116.94 115.45 3nix h PHE 364 Ca 0.01 -0.06 -0.27 0.00 2.81 0.00 0.00 57.97 60.46 3nix h PHE 364 Cb 0.76 -0.35 -0.17 0.00 3.61 0.00 0.00 35.95 39.80 3nix h PHE 364 CO 0.10 0.84 -0.19 1.19 -1.61 0.00 0.00 178.31 178.64 3nix n PHE 365 N -4.30 1.46 -2.53 -0.55 3.72 0.33 -4.50 117.46 111.08 3nix n PHE 365 Ca 0.07 -1.84 -0.38 0.00 -0.05 0.00 0.00 57.45 55.25 3nix n PHE 365 Cb 0.16 -0.52 -0.04 0.00 -0.94 0.00 0.00 39.48 38.13 3nix n PHE 365 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nix s ALA 366 N -3.37 3.24 0.22 4.37 0.00 -1.15 -4.98 121.76 120.11 3nix s ALA 366 Ca 0.47 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3nix s ALA 366 Cb 0.41 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 3nix s ALA 366 CO -0.00 -0.16 1.32 0.21 0.00 0.00 0.00 175.76 177.12 3nix s LYS 367 N -1.94 4.38 -0.72 0.00 2.20 -1.26 -3.43 119.74 118.96 3nix s LYS 367 Ca 0.51 2.09 -0.04 0.00 -0.36 0.00 0.00 55.97 58.16 3nix s LYS 367 Cb -0.27 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 3nix s LYS 367 CO 0.34 -0.25 0.65 0.09 -0.36 0.00 0.00 175.35 175.82 3nix n ASN 368 N 2.33 -6.50 -4.76 1.43 3.02 -1.26 -4.91 115.26 104.60 3nix n ASN 368 Ca 0.05 -0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 53.85 3nix n ASN 368 Cb 0.42 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 3nix n ASN 368 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3nix s PRO 369 N -3.68 3.73 -0.01 3.52 0.04 -1.22 -4.93 135.00 132.46 3nix s PRO 369 Ca 0.05 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 3nix s PRO 369 Cb -0.01 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 3nix s PRO 369 CO 0.82 -0.66 1.67 0.34 0.04 0.00 0.00 177.00 179.21 3nix s ASP 370 N -0.97 6.64 0.46 6.66 -1.08 -1.26 -4.88 116.67 122.24 3nix s ASP 370 Ca 0.62 2.34 0.13 0.00 -0.52 0.00 0.00 52.55 55.12 3nix s ASP 370 Cb -0.36 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.60 3nix s ASP 370 CO 0.44 -0.91 2.05 1.55 0.52 0.00 0.00 175.17 178.82 3nix h PRO 371 N 9.18 0.13 -0.23 4.34 0.13 -2.00 -2.03 132.00 141.51 3nix h PRO 371 Ca -0.41 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 3nix h PRO 371 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3nix h PRO 371 CO 0.94 0.17 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.39 3nix h ASP 372 N 0.13 0.45 0.19 1.44 3.32 -2.00 -2.68 116.42 117.26 3nix h ASP 372 Ca 0.03 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.72 3nix h ASP 372 Cb 0.15 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3nix h ASP 372 CO 0.01 0.71 -0.22 0.45 -1.72 0.00 0.00 179.24 178.47 3nix h HIS 373 N 0.18 -0.57 -0.94 4.55 3.86 -1.78 -2.62 115.15 117.84 3nix h HIS 373 Ca 0.06 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.47 3nix h HIS 373 Cb 0.51 0.23 -0.18 0.00 1.06 0.00 0.00 27.41 29.03 3nix h HIS 373 CO 0.05 -0.32 -0.20 -0.22 0.86 0.00 0.00 177.93 178.11 3nix h LYS 374 N -0.45 0.00 -0.51 2.45 1.63 -1.45 -0.33 116.57 117.92 3nix h LYS 374 Ca 0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3nix h LYS 374 Cb 0.43 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3nix h LYS 374 CO -0.07 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.47 3nix n ARG 375 N -5.58 0.17 0.00 1.90 1.74 -0.99 -0.02 116.66 113.88 3nix n ARG 375 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3nix n ARG 375 Cb 0.50 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 3nix n ARG 375 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3nix n ILE 377 N 0.52 0.00 -0.21 0.55 5.41 -0.13 -1.33 119.36 124.17 3nix n ILE 377 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3nix n ILE 377 Cb 0.05 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.24 3nix n ILE 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3nix h SER 379 N 0.98 0.00 0.00 0.00 0.02 -1.45 -1.44 113.55 111.66 3nix h SER 379 Ca 0.28 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3nix h SER 379 Cb -0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.48 3nix h SER 379 CO -0.07 0.28 -0.28 0.58 -1.14 0.00 0.00 176.83 176.21 3nix h VAL 380 N 0.00 1.54 -0.17 2.27 2.07 -0.87 -1.35 116.25 119.74 3nix h VAL 380 Ca -0.00 -1.97 0.05 0.00 0.82 0.00 0.00 66.70 65.60 3nix h VAL 380 Cb 0.62 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3nix h VAL 380 CO 0.04 0.54 0.13 -0.07 0.02 0.00 0.00 177.57 178.23 3nix h LEU 381 N -0.48 0.00 0.00 2.57 3.38 -0.81 0.13 115.31 120.10 3nix h LEU 381 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3nix h LEU 381 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3nix h LEU 381 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3nix n ALA 382 N -2.56 2.31 -0.43 1.53 0.00 -0.55 -4.85 120.51 115.96 3nix n ALA 382 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3nix n ALA 382 Cb 0.26 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3nix n ALA 382 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 383 N 0.70 0.75 2.39 0.00 0.00 0.03 -1.85 105.19 107.21 3nix n GLY 383 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3nix n GLY 383 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nix n TYR 384 N -2.23 2.24 -0.09 1.61 4.01 -0.51 -4.66 117.16 117.54 3nix n TYR 384 Ca 0.00 -2.73 0.06 0.00 -0.16 0.00 0.00 57.90 55.07 3nix n TYR 384 Cb 0.00 -1.99 0.26 0.00 -0.31 0.00 0.00 39.34 37.30 3nix n TYR 384 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3nix n VAL 385 N 2.32 1.51 0.25 -0.72 0.24 -1.26 -3.40 118.33 117.27 3nix n VAL 385 Ca 0.65 -0.87 0.04 0.00 -2.04 0.00 0.00 64.34 62.12 3nix n VAL 385 Cb 0.32 -0.13 0.04 0.00 -1.47 0.00 0.00 33.84 32.61 3nix n VAL 385 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3nix n TRP 386 N 0.62 0.04 -2.69 6.34 8.01 -1.26 -4.27 117.44 124.23 3nix n TRP 386 Ca 0.19 -0.07 -0.42 0.00 -1.31 0.00 0.00 57.50 55.89 3nix n TRP 386 Cb 0.75 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.02 3nix n TRP 386 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3nix s ASP 387 N -0.67 6.25 0.12 -0.99 -1.08 -1.22 -4.87 116.67 114.21 3nix s ASP 387 Ca 0.10 -0.92 0.20 0.00 -0.52 0.00 0.00 52.55 51.41 3nix s ASP 387 Cb 0.06 -2.50 0.83 0.00 -1.46 0.00 0.00 42.92 39.86 3nix s ASP 387 CO 0.09 -1.59 1.63 0.29 0.52 0.00 0.00 175.17 176.11 3nix n LYS 388 N 8.48 0.10 0.20 4.34 4.76 -1.26 -2.34 118.16 132.44 3nix n LYS 388 Ca 0.07 0.30 0.09 0.00 -2.87 0.00 0.00 58.31 55.89 3nix n LYS 388 Cb 0.48 -1.68 0.27 0.00 -1.84 0.00 0.00 35.03 32.27 3nix n LYS 388 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3nix h ASN 389 N 0.00 0.00 -3.12 4.39 2.35 -2.00 -3.39 115.58 113.81 3nix h ASN 389 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3nix h ASN 389 Cb 0.35 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 3nix h ASN 389 CO 0.00 0.23 1.03 0.21 -1.65 0.00 0.00 177.43 177.25 3nix s ASN 390 N -6.23 6.52 0.56 5.81 2.47 -0.99 -4.89 114.94 118.20 3nix s ASN 390 Ca 0.03 1.16 0.25 0.00 0.42 0.00 0.00 52.86 54.73 3nix s ASN 390 Cb 0.08 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 38.90 3nix s ASN 390 CO 0.67 -1.22 2.14 -0.65 -3.72 0.00 0.00 177.10 174.32 3nix h PRO 391 N 9.97 0.00 0.00 0.43 0.11 -1.88 0.91 132.00 141.54 3nix h PRO 391 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3nix h PRO 391 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3nix h PRO 391 CO 1.04 0.00 -0.31 0.74 -0.21 0.00 0.00 178.00 179.26 3nix h PHE 392 N 0.00 0.00 0.05 0.65 -1.00 -1.91 0.23 116.94 114.96 3nix h PHE 392 Ca 0.07 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 3nix h PHE 392 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3nix h PHE 392 CO 0.00 0.31 -0.03 0.28 -1.61 0.00 0.00 178.31 177.26 3nix h VAL 393 N 0.00 0.71 -0.52 -0.55 2.07 -1.19 -3.15 116.25 113.61 3nix h VAL 393 Ca -0.00 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.21 3nix h VAL 393 Cb 0.87 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3nix h VAL 393 CO 0.04 0.23 0.01 0.50 0.02 0.00 0.00 177.57 178.37 3nix h LYS 394 N -0.98 0.12 -0.74 1.57 1.63 -0.80 -2.76 116.57 114.61 3nix h LYS 394 Ca -0.01 -0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.30 3nix h LYS 394 Cb 0.43 -0.03 -0.29 0.00 -0.60 0.00 0.00 32.23 31.74 3nix h LYS 394 CO 0.01 0.08 0.04 1.63 -3.45 0.00 0.00 179.45 177.76 3nix n LYS 395 N -5.23 2.72 -0.27 1.90 5.02 0.78 -4.84 118.16 118.24 3nix n LYS 395 Ca 0.06 -3.53 0.01 0.00 -2.02 0.00 0.00 58.31 52.82 3nix n LYS 395 Cb 0.28 -2.15 0.22 0.00 -0.02 0.00 0.00 35.03 33.36 3nix n LYS 395 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3nix h HIS 396 N 1.71 1.04 -0.01 2.13 2.07 -1.44 0.12 115.15 120.76 3nix h HIS 396 Ca 0.43 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3nix h HIS 396 Cb 1.44 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 31.07 3nix h HIS 396 CO 1.15 0.63 0.00 0.27 -3.07 0.00 0.00 177.93 176.91 3nix n ASN 397 N -4.43 0.39 -0.03 3.10 0.23 -1.26 -4.04 115.26 109.22 3nix n ASN 397 Ca 0.10 -1.22 -0.04 0.00 -0.53 0.00 0.00 54.58 52.89 3nix n ASN 397 Cb 0.06 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 3nix n ASN 397 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3nix n THR 398 N -0.65 0.30 0.25 5.53 -1.04 -0.22 -4.86 114.28 113.59 3nix n THR 398 Ca 0.21 -0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.23 3nix n THR 398 Cb 0.16 -0.98 0.66 0.00 -1.82 0.00 0.00 70.33 68.36 3nix n THR 398 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3nix h ILE 399 N -0.07 0.56 -0.05 12.58 2.10 -0.98 -2.75 117.51 128.91 3nix h ILE 399 Ca -0.12 -0.68 -0.12 0.00 1.08 0.00 0.00 64.86 65.02 3nix h ILE 399 Cb 1.16 1.45 0.01 0.00 -1.09 0.00 0.00 36.82 38.35 3nix h ILE 399 CO -0.04 0.14 -0.42 -0.07 -1.08 0.00 0.00 178.15 176.68 3nix h LEU 400 N 0.00 0.45 0.05 2.19 3.38 -1.84 0.42 115.31 119.97 3nix h LEU 400 Ca -0.00 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 3nix h LEU 400 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3nix h LEU 400 CO 0.02 1.08 -0.03 0.11 0.09 0.00 0.00 178.44 179.71 3nix h LYS 401 N -0.13 -0.07 -0.43 1.13 1.57 -1.88 -0.40 116.57 116.36 3nix h LYS 401 Ca -0.04 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3nix h LYS 401 Cb 1.10 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.34 3nix h LYS 401 CO 0.09 0.06 -0.10 1.15 -0.57 0.00 0.00 179.45 180.07 3nix h THR 402 N -0.19 0.58 -0.00 -0.16 2.02 -1.56 -2.19 112.91 111.42 3nix h THR 402 Ca -0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3nix h THR 402 Cb 0.16 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3nix h THR 402 CO 0.01 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.82 3nix h LEU 403 N 0.01 0.01 -1.02 2.58 4.07 -0.76 -0.36 115.31 119.85 3nix h LEU 403 Ca 0.21 -0.65 0.18 0.00 0.08 0.00 0.00 57.88 57.69 3nix h LEU 403 Cb 0.31 -0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.95 3nix h LEU 403 CO -0.43 0.67 0.62 0.00 -1.08 0.00 0.00 178.44 178.21 3nix h ALA 404 N 0.35 1.66 -0.38 1.53 0.00 -1.15 0.23 119.26 121.50 3nix h ALA 404 Ca -0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3nix h ALA 404 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3nix h ALA 404 CO 0.00 -0.01 -0.18 -0.22 0.00 0.00 0.00 179.25 178.84 3nix h LYS 405 N 0.80 0.71 -0.83 0.00 1.63 -1.20 -0.67 116.57 117.00 3nix h LYS 405 Ca 0.56 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 3nix h LYS 405 Cb 0.83 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 3nix h LYS 405 CO -0.36 0.85 0.47 0.28 -3.45 0.00 0.00 179.45 177.24 3nix h VAL 406 N 0.63 1.24 -0.26 2.00 2.07 0.23 -3.15 116.25 119.01 3nix h VAL 406 Ca 0.10 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3nix h VAL 406 Cb 0.66 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3nix h VAL 406 CO 0.05 0.26 0.13 0.40 0.02 0.00 0.00 177.57 178.43 3nix h ILE 407 N 1.16 1.14 0.00 4.57 2.04 0.19 -2.34 117.51 124.26 3nix h ILE 407 Ca 0.30 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3nix h ILE 407 Cb -0.00 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3nix h ILE 407 CO -0.05 0.14 0.00 1.67 0.00 0.00 0.00 178.15 179.91 3nix n GLN 408 N -4.82 0.04 0.00 2.37 0.00 -0.38 -1.60 117.38 112.99 3nix n GLN 408 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 3nix n GLN 408 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.02 3nix n GLN 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nix n GLY 410 N 0.80 0.00 0.17 1.69 0.00 -0.88 -1.57 105.19 105.40 3nix n GLY 410 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3nix n GLY 410 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3nix h GLU 411 N 0.00 0.37 0.00 1.61 5.08 -1.59 -3.55 114.58 116.51 3nix h GLU 411 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3nix h GLU 411 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3nix h GLU 411 CO 0.00 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.36