#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nix s VAL 8 N 0.00 2.27 -0.41 5.18 1.01 -0.68 -0.94 120.40 126.82 3nix s VAL 8 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 3nix s VAL 8 Cb 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.48 3nix s VAL 8 CO 0.00 0.53 0.29 -0.22 0.00 0.00 0.00 175.10 175.71 3nix s LEU 9 N 1.00 5.12 -0.19 3.92 2.96 0.06 -0.29 118.68 131.26 3nix s LEU 9 Ca -0.02 -1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 52.64 3nix s LEU 9 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3nix s LEU 9 CO -0.05 -0.48 0.54 -0.69 -1.32 0.00 0.00 176.35 174.35 3nix s VAL 10 N 1.62 5.09 -0.31 1.68 1.01 0.20 -1.48 120.40 128.21 3nix s VAL 10 Ca 0.04 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 3nix s VAL 10 Cb -0.20 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3nix s VAL 10 CO 0.08 0.17 0.30 -0.63 0.00 0.00 0.00 175.10 175.02 3nix s ILE 11 N 1.61 5.23 0.00 2.22 1.01 -0.68 -1.67 121.20 128.92 3nix s ILE 11 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.04 3nix s ILE 11 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3nix s ILE 11 CO 0.10 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3nix n GLY 12 N 4.95 2.83 1.96 6.18 0.00 -1.03 -0.22 105.19 119.86 3nix n GLY 12 Ca -0.11 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 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 1.37 5.45 -2.12 4.61 0.00 -1.26 -4.12 120.51 124.44 3nix n ALA 13 Ca 0.00 -3.34 -0.14 0.00 0.00 0.00 0.00 53.44 49.96 3nix n ALA 13 Cb 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.98 -0.16 0.38 0.00 0.00 -1.26 -4.69 105.19 98.48 3nix n GLY 14 Ca 0.51 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.63 -0.01 1.61 0.11 -1.94 0.55 132.00 132.96 3nix h PRO 15 Ca -0.24 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3nix h PRO 15 Cb 0.78 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3nix h PRO 15 CO 0.22 0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.41 3nix h ALA 16 N 1.61 0.01 -0.76 -0.75 0.00 -1.89 -1.82 119.26 115.67 3nix h ALA 16 Ca 0.50 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3nix h ALA 16 Cb 0.91 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3nix h ALA 16 CO -0.26 -0.23 0.43 0.78 0.00 0.00 0.00 179.25 179.97 3nix h GLY 17 N -0.47 1.15 1.35 0.00 0.00 -1.53 -1.11 103.07 102.45 3nix h GLY 17 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 47.33 46.75 3nix h GLY 17 CO 0.00 0.14 -1.27 -0.91 0.00 0.00 0.00 176.54 174.51 3nix h THR 18 N 0.75 1.33 -0.53 4.70 1.35 0.09 -1.06 112.91 119.54 3nix h THR 18 Ca 0.35 -2.62 -0.10 0.00 -0.55 0.00 0.00 66.41 63.49 3nix h THR 18 Cb 0.28 2.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 3nix h THR 18 CO -0.22 0.79 -0.05 0.58 -0.25 0.00 0.00 175.52 176.37 3nix h VAL 19 N 0.21 1.27 -0.48 6.82 2.07 -1.28 -2.21 116.25 122.66 3nix h VAL 19 Ca -0.18 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 3nix h VAL 19 Cb 1.95 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3nix h VAL 19 CO 0.23 0.42 0.00 0.00 0.02 0.00 0.00 177.57 178.24 3nix h ALA 20 N 0.93 0.64 -0.43 1.67 0.00 -1.16 -2.88 119.26 118.04 3nix h ALA 20 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3nix h ALA 20 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3nix h ALA 20 CO 0.04 0.44 -0.18 0.00 0.00 0.00 0.00 179.25 179.55 3nix h ALA 21 N 0.92 0.87 -1.00 0.00 0.00 -1.19 -2.85 119.26 116.02 3nix h ALA 21 Ca 0.13 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3nix h ALA 21 Cb 0.51 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3nix h ALA 21 CO 0.02 0.64 0.64 1.03 0.00 0.00 0.00 179.25 181.58 3nix h SER 22 N 0.74 1.01 0.60 0.00 0.87 -1.17 -0.96 113.55 114.64 3nix h SER 22 Ca 0.11 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.46 3nix h SER 22 Cb 0.70 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3nix h SER 22 CO 0.05 0.62 -1.02 -0.07 -0.53 0.00 0.00 176.83 175.89 3nix h LEU 23 N 1.13 0.33 0.12 2.23 3.38 -1.50 -2.01 115.31 118.99 3nix h LEU 23 Ca 0.45 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3nix h LEU 23 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3nix h LEU 23 CO -0.19 1.16 -0.06 0.58 0.09 0.00 0.00 178.44 180.02 3nix h VAL 24 N 0.11 1.04 -0.85 1.22 2.07 -1.22 -3.01 116.25 115.60 3nix h VAL 24 Ca -0.07 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.87 3nix h VAL 24 Cb 1.70 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 3nix h VAL 24 CO 0.16 0.16 0.49 -1.13 0.02 0.00 0.00 177.57 177.28 3nix h ASN 25 N -0.48 0.71 -0.01 0.57 -0.73 -1.24 -1.67 115.58 112.73 3nix h ASN 25 Ca -0.02 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3nix h ASN 25 Cb 0.39 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 3nix h ASN 25 CO 0.03 0.39 0.02 0.50 -0.37 0.00 0.00 177.43 178.00 3nix h LYS 26 N 0.81 0.00 -0.61 6.67 3.64 -1.30 0.45 116.57 126.23 3nix h LYS 26 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3nix h LYS 26 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3nix h LYS 26 CO -0.26 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.35 3nix n SER 27 N -3.60 1.98 0.00 4.20 7.64 -0.63 -4.89 113.62 118.32 3nix n SER 27 Ca -0.03 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.68 3nix n SER 27 Cb 0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.47 0.41 3.88 0.23 0.00 0.16 -4.99 105.19 105.35 3nix n GLY 28 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.05 1.98 -0.37 1.61 0.40 -1.23 -5.02 117.98 113.31 3nix s PHE 29 Ca 0.00 0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 56.72 3nix s PHE 29 Cb 0.00 -3.82 0.01 0.00 0.51 0.00 0.00 43.02 39.72 3nix s PHE 29 CO 0.00 -2.47 0.22 0.21 0.70 0.00 0.00 175.22 173.88 3nix s LYS 30 N -5.70 3.04 -0.01 0.44 2.20 -1.26 -4.59 119.74 113.85 3nix s LYS 30 Ca 0.69 -0.94 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 3nix s LYS 30 Cb -0.07 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 3nix s LYS 30 CO 0.52 -0.62 -0.18 0.54 -0.36 0.00 0.00 175.35 175.25 3nix s VAL 31 N 1.61 1.40 -0.05 4.02 0.11 -1.26 -1.69 120.40 124.55 3nix s VAL 31 Ca 0.04 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3nix s VAL 31 Cb -0.18 -1.17 0.02 0.00 -1.53 0.00 0.00 36.38 33.51 3nix s VAL 31 CO 0.08 0.40 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.42 3nix s LYS 32 N -0.41 1.07 -0.25 1.54 2.20 0.60 -3.29 119.74 121.21 3nix s LYS 32 Ca 0.07 -0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 3nix s LYS 32 Cb -0.07 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.22 3nix s LYS 32 CO -0.01 -0.03 0.15 0.42 -0.36 0.00 0.00 175.35 175.53 3nix s ILE 33 N 0.75 5.13 -0.38 5.43 1.01 -0.84 0.58 121.20 132.87 3nix s ILE 33 Ca -0.12 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 3nix s ILE 33 Cb -0.14 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.93 3nix s ILE 33 CO 0.01 0.32 0.40 0.68 0.00 0.00 0.00 174.94 176.36 3nix s VAL 34 N 1.34 5.12 -0.18 2.92 -7.23 -0.67 -1.23 120.40 120.47 3nix s VAL 34 Ca 0.07 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.02 3nix s VAL 34 Cb -0.15 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 32.82 3nix s VAL 34 CO 0.06 -0.27 0.03 -0.70 -0.31 0.00 0.00 175.10 173.92 3nix s GLU 35 N 2.08 3.83 0.21 4.82 2.56 0.22 -2.48 118.70 129.94 3nix s GLU 35 Ca 0.12 -0.42 0.23 0.00 0.00 0.00 0.00 54.97 54.90 3nix s GLU 35 Cb -0.17 -3.13 0.92 0.00 2.00 0.00 0.00 34.13 33.75 3nix s GLU 35 CO 0.13 0.19 1.69 1.17 -0.56 0.00 0.00 175.26 177.88 3nix n LYS 36 N 3.74 0.17 -4.16 4.30 4.81 -1.23 -0.72 118.16 125.08 3nix n LYS 36 Ca -0.17 0.37 -0.23 0.00 -0.87 0.00 0.00 58.31 57.41 3nix n LYS 36 Cb 0.52 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.70 3nix n LYS 36 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3nix s GLN 37 N -3.24 2.33 0.15 1.64 -0.21 -1.26 -4.24 119.66 114.82 3nix s GLN 37 Ca 0.06 -1.55 -0.27 0.00 0.02 0.00 0.00 55.36 53.61 3nix s GLN 37 Cb 0.10 -2.14 -0.07 0.00 1.00 0.00 0.00 33.01 31.89 3nix s GLN 37 CO 0.40 0.15 0.84 0.21 -2.12 0.00 0.00 175.29 174.77 3nix s LYS 38 N -3.81 4.64 -0.00 2.91 2.47 -1.26 -2.85 119.74 121.84 3nix s LYS 38 Ca 0.36 1.26 -0.01 0.00 -1.56 0.00 0.00 55.97 56.03 3nix s LYS 38 Cb -0.03 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 33.00 3nix s LYS 38 CO 0.22 0.43 0.11 -0.06 0.16 0.00 0.00 175.35 176.21 3nix s PHE 39 N -0.71 3.36 0.92 4.03 0.40 -1.26 -3.93 117.98 120.79 3nix s PHE 39 Ca 0.39 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.86 3nix s PHE 39 Cb -0.23 -1.76 0.15 0.00 0.51 0.00 0.00 43.02 41.68 3nix s PHE 39 CO 0.27 0.58 1.09 -1.25 0.70 0.00 0.00 175.22 176.62 3nix s PRO 40 N -1.81 1.01 -0.22 0.24 0.04 -1.26 -5.12 135.00 127.88 3nix s PRO 40 Ca 0.24 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 3nix s PRO 40 Cb -0.12 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.74 3nix s PRO 40 CO 0.15 -2.48 0.51 0.50 0.04 0.00 0.00 177.00 175.73 3nix s ARG 41 N -4.79 0.47 0.02 4.56 3.00 -1.25 -5.04 118.95 115.92 3nix s ARG 41 Ca 0.65 1.07 -0.30 0.00 -1.00 0.00 0.00 55.73 56.15 3nix s ARG 41 Cb -0.20 0.28 -0.04 0.00 0.00 0.00 0.00 34.95 34.99 3nix s ARG 41 CO 0.58 -0.19 1.07 0.12 0.00 0.00 0.00 175.30 176.88 3nix s PHE 42 N 2.09 3.56 0.01 5.12 5.36 -1.26 -3.24 117.98 129.62 3nix s PHE 42 Ca -0.07 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3nix s PHE 42 Cb -0.09 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.32 3nix s PHE 42 CO -0.15 -0.56 -0.02 0.54 -1.46 0.00 0.00 175.22 173.57 3nix s VAL 43 N 1.06 0.08 0.54 3.12 0.11 -1.26 -4.97 120.40 119.08 3nix s VAL 43 Ca 0.55 -0.56 -0.18 0.00 -2.93 0.00 0.00 61.98 58.86 3nix s VAL 43 Cb -0.25 -0.17 -0.06 0.00 -1.53 0.00 0.00 36.38 34.37 3nix s VAL 43 CO 0.28 -0.30 1.06 -0.51 -3.33 0.00 0.00 175.10 172.30 3nix s ILE 44 N -0.88 3.70 0.00 7.04 1.10 -1.26 -4.39 121.20 126.50 3nix s ILE 44 Ca -0.10 0.95 0.00 0.00 -0.51 0.00 0.00 60.65 60.99 3nix s ILE 44 Cb -0.06 -3.39 0.00 0.00 0.15 0.00 0.00 42.46 39.16 3nix s ILE 44 CO -0.01 -0.34 0.00 0.61 -2.11 0.00 0.00 174.94 173.10 3nix n GLY 45 N -0.50 0.74 0.00 1.50 0.00 -1.26 -5.03 105.19 100.65 3nix n GLY 45 Ca 0.09 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 0.78 -3.53 1.61 1.02 -1.26 -4.82 120.64 114.43 3nix n GLU 46 Ca 0.00 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.67 3nix n GLU 46 Cb 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.74 6.06 0.54 1.62 0.15 -1.26 -1.13 113.70 116.94 3nix s SER 47 Ca -0.02 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.21 3nix s SER 47 Cb 0.05 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.25 3nix s SER 47 CO 0.32 -0.24 0.77 -0.76 1.20 0.00 0.00 173.24 174.53 3nix s LEU 48 N 1.73 3.31 0.03 3.45 1.02 -1.06 -4.66 118.68 122.50 3nix s LEU 48 Ca 0.06 0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.35 3nix s LEU 48 Cb -0.17 -2.94 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 3nix s LEU 48 CO 0.11 -1.09 -0.14 -0.76 0.02 0.00 0.00 176.35 174.48 3nix s LEU 49 N -4.76 2.81 0.39 1.79 1.43 -1.26 -4.74 118.68 114.35 3nix s LEU 49 Ca 0.56 -0.33 0.19 0.00 -1.03 0.00 0.00 54.13 53.52 3nix s LEU 49 Cb -0.10 -1.63 1.12 0.00 0.03 0.00 0.00 46.19 45.61 3nix s LEU 49 CO 0.39 0.26 1.74 -0.65 0.23 0.00 0.00 176.35 178.32 3nix h PRO 50 N 4.50 0.36 -0.88 1.29 0.11 -1.82 -1.46 132.00 134.11 3nix h PRO 50 Ca -0.48 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.81 3nix h PRO 50 Cb 1.16 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 3nix h PRO 50 CO 0.50 0.24 0.40 -0.09 -0.21 0.00 0.00 178.00 178.83 3nix h ARG 51 N 0.37 0.45 -3.64 1.05 9.65 -1.36 -3.37 114.38 117.53 3nix h ARG 51 Ca 0.64 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 59.41 3nix h ARG 51 Cb 1.64 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 3nix h ARG 51 CO -0.35 0.30 1.21 0.00 2.80 0.00 0.00 179.97 183.92 3nix n GLU 54 N 4.39 0.00 0.08 0.00 1.02 -1.26 -1.85 120.64 123.03 3nix n GLU 54 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 3nix n GLU 54 Cb 0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.37 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 0.26 -0.21 -0.32 3.86 -1.94 -0.82 115.15 115.97 3nix h HIS 55 Ca 0.00 -0.18 -0.14 0.00 -1.16 0.00 0.00 60.37 58.89 3nix h HIS 55 Cb 0.00 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3nix h HIS 55 CO 0.00 1.12 -0.45 1.25 0.86 0.00 0.00 177.93 180.71 3nix h LEU 56 N 0.05 0.56 -0.02 2.43 5.85 -1.72 -0.52 115.31 121.95 3nix h LEU 56 Ca -0.07 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3nix h LEU 56 Cb 1.82 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 3nix h LEU 56 CO 0.16 0.93 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.41 3nix h ASP 57 N 0.43 0.04 -0.85 1.25 3.58 -1.78 -1.01 116.42 118.08 3nix h ASP 57 Ca 0.03 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 3nix h ASP 57 Cb 0.95 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 3nix h ASP 57 CO 0.08 0.41 0.49 -0.08 -2.88 0.00 0.00 179.24 177.26 3nix h GLU 58 N -0.32 1.18 0.00 0.28 4.81 -1.04 -2.10 114.58 117.38 3nix h GLU 58 Ca 0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3nix h GLU 58 Cb 0.39 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3nix h GLU 58 CO 0.00 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 3nix n ALA 59 N -2.41 2.32 -2.78 2.92 0.00 -0.21 -4.88 120.51 115.47 3nix n ALA 59 Ca 0.09 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 3nix n ALA 59 Cb 0.08 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 0.78 -0.51 0.63 0.00 0.00 -0.79 -4.91 105.19 100.39 3nix n GLY 60 Ca 0.14 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.33 0.00 0.06 1.61 3.72 -0.40 -4.56 117.46 113.56 3nix n PHE 61 Ca -0.17 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.29 3nix n PHE 61 Cb 0.65 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.14 3nix n PHE 61 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3nix n LEU 62 N 0.46 0.86 0.08 4.37 7.94 -1.19 -2.02 117.00 127.49 3nix n LEU 62 Ca 0.10 0.36 -0.07 0.00 -1.11 0.00 0.00 56.01 55.29 3nix n LEU 62 Cb 0.48 0.01 0.06 0.00 0.53 0.00 0.00 43.42 44.50 3nix n LEU 62 CO 0.21 -0.01 0.38 0.44 -1.11 0.00 0.00 177.39 177.30 3nix h ASP 63 N 0.00 0.31 -0.11 1.96 3.32 -1.90 -2.06 116.42 117.94 3nix h ASP 63 Ca -0.09 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 3nix h ASP 63 Cb 1.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3nix h ASP 63 CO 0.02 0.93 -0.24 0.00 -1.72 0.00 0.00 179.24 178.23 3nix h ALA 64 N 1.06 1.05 -0.27 3.45 0.00 -1.82 -2.82 119.26 119.92 3nix h ALA 64 Ca -0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3nix h ALA 64 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3nix h ALA 64 CO 0.11 0.57 -0.17 0.28 0.00 0.00 0.00 179.25 180.05 3nix h VAL 65 N 0.48 1.30 -0.96 0.00 2.07 -1.31 -3.15 116.25 114.68 3nix h VAL 65 Ca 0.07 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3nix h VAL 65 Cb 0.68 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3nix h VAL 65 CO 0.05 0.40 0.63 0.11 0.02 0.00 0.00 177.57 178.78 3nix h LYS 66 N 0.32 1.13 -0.23 1.57 1.57 -1.31 -1.48 116.57 118.13 3nix h LYS 66 Ca 0.06 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3nix h LYS 66 Cb 0.70 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3nix h LYS 66 CO 0.05 0.74 0.19 0.00 -0.57 0.00 0.00 179.45 179.86 3nix h ALA 67 N 1.46 2.10 0.00 3.86 0.00 -1.46 -1.57 119.26 123.65 3nix h ALA 67 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3nix h ALA 67 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3nix h ALA 67 CO -0.14 -0.31 0.00 1.96 0.00 0.00 0.00 179.25 180.76 3nix h GLN 68 N 0.00 0.00 -1.65 0.00 1.08 -1.30 -3.47 115.11 109.77 3nix h GLN 68 Ca 0.11 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.04 3nix h GLN 68 Cb 0.48 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 3nix h GLN 68 CO -0.00 0.00 -0.33 0.41 -0.95 0.00 0.00 178.83 177.96 3nix n GLY 69 N 0.48 0.18 3.47 3.46 0.00 -0.59 -4.98 105.19 107.22 3nix n GLY 69 Ca 0.03 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3nix n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nix n PHE 70 N -3.68 -0.83 -1.84 1.61 3.72 -1.26 -4.82 117.46 110.35 3nix n PHE 70 Ca -0.16 0.30 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 3nix n PHE 70 Cb 0.58 -1.88 -0.03 0.00 -0.94 0.00 0.00 39.48 37.21 3nix n PHE 70 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3nix s GLN 71 N -3.35 4.17 0.59 -1.08 2.00 -1.23 -4.87 119.66 115.88 3nix s GLN 71 Ca 0.62 2.43 -0.17 0.00 -2.00 0.00 0.00 55.36 56.25 3nix s GLN 71 Cb -0.28 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 3nix s GLN 71 CO 0.61 -0.80 1.09 -0.65 -0.50 0.00 0.00 175.29 175.05 3nix s GLN 72 N 2.91 3.23 -0.14 1.67 -0.21 -1.26 -0.12 119.66 125.74 3nix s GLN 72 Ca 0.77 1.38 -0.00 0.00 0.02 0.00 0.00 55.36 57.53 3nix s GLN 72 Cb -0.42 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 31.61 3nix s GLN 72 CO 0.34 -0.90 -0.10 0.21 -2.12 0.00 0.00 175.29 172.72 3nix s LYS 73 N -3.78 1.88 0.00 2.91 2.20 0.94 -4.59 119.74 119.31 3nix s LYS 73 Ca 0.67 -0.45 0.10 0.00 -0.36 0.00 0.00 55.97 55.93 3nix s LYS 73 Cb -0.19 -1.91 0.04 0.00 -1.51 0.00 0.00 37.83 34.26 3nix s LYS 73 CO 0.34 -0.28 0.72 1.19 -0.36 0.00 0.00 175.35 176.96 3nix n PHE 74 N 4.85 0.00 -3.85 4.03 3.72 -0.91 -0.63 117.46 124.67 3nix n PHE 74 Ca -0.14 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.30 3nix n PHE 74 Cb 0.50 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.04 3nix n PHE 74 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3nix s GLY 75 N -1.14 -0.33 0.02 1.37 0.00 -1.17 -1.25 107.32 104.81 3nix s GLY 75 Ca 0.10 0.48 0.08 0.00 0.00 0.00 0.00 44.72 45.39 3nix s GLY 75 CO 0.20 4.25 -0.25 0.00 0.00 0.00 0.00 173.10 177.30 3nix s ALA 76 N -2.01 2.26 -0.08 3.20 0.00 -0.61 -3.03 121.76 121.49 3nix s ALA 76 Ca 0.26 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3nix s ALA 76 Cb 0.03 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3nix s ALA 76 CO -0.04 0.54 -0.02 0.21 0.00 0.00 0.00 175.76 176.45 3nix s LYS 77 N -1.00 0.82 -0.09 0.00 2.20 -0.79 -0.55 119.74 120.34 3nix s LYS 77 Ca 0.11 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 3nix s LYS 77 Cb -0.10 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.08 3nix s LYS 77 CO 0.01 -0.29 0.01 -0.06 -0.36 0.00 0.00 175.35 174.66 3nix s PHE 78 N 1.90 3.19 -0.07 4.03 0.08 -0.72 -1.03 117.98 125.35 3nix s PHE 78 Ca 0.05 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.33 3nix s PHE 78 Cb -0.12 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3nix s PHE 78 CO -0.06 0.49 -0.09 0.08 -0.10 0.00 0.00 175.22 175.54 3nix s VAL 79 N -0.89 0.93 -0.37 -0.44 1.01 0.24 -1.55 120.40 119.32 3nix s VAL 79 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3nix s VAL 79 Cb -0.11 -0.89 0.12 0.00 0.00 0.00 0.00 36.38 35.50 3nix s VAL 79 CO 0.02 0.32 0.18 -0.60 0.00 0.00 0.00 175.10 175.02 3nix s ARG 80 N 0.93 0.89 5.47 2.72 3.52 -0.83 0.12 118.95 131.77 3nix s ARG 80 Ca -0.10 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.03 3nix s ARG 80 Cb -0.15 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 3nix s ARG 80 CO 0.01 -1.10 0.00 0.41 -0.81 0.00 0.00 175.30 173.81 3nix n GLY 81 N 4.19 1.26 0.06 8.12 0.00 -1.26 -1.88 105.19 115.69 3nix n GLY 81 Ca 0.05 0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 3.34 -2.23 1.61 4.76 -1.26 -4.91 118.16 119.47 3nix n LYS 82 Ca 0.00 -0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 3nix n LYS 82 Cb 0.00 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.80 4.40 -0.05 1.97 2.02 -0.79 -5.03 118.70 119.44 3nix s GLU 83 Ca 0.05 2.05 0.02 0.00 0.02 0.00 0.00 54.97 57.11 3nix s GLU 83 Cb 0.08 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 31.13 3nix s GLU 83 CO 0.37 -0.21 -0.11 0.42 0.02 0.00 0.00 175.26 175.75 3nix s ILE 84 N -0.11 1.00 -0.43 -1.63 1.01 -1.26 -1.97 121.20 117.81 3nix s ILE 84 Ca 0.55 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.79 3nix s ILE 84 Cb -0.36 -0.91 0.12 0.00 0.01 0.00 0.00 42.46 41.32 3nix s ILE 84 CO 0.40 0.32 0.18 0.00 0.00 0.00 0.00 174.94 175.83 3nix s ALA 85 N 0.46 2.79 -0.12 9.38 0.00 -0.60 -4.99 121.76 128.69 3nix s ALA 85 Ca -0.09 -2.77 -0.21 0.00 0.00 0.00 0.00 51.96 48.89 3nix s ALA 85 Cb -0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3nix s ALA 85 CO 0.02 -1.89 0.63 0.34 0.00 0.00 0.00 175.76 174.85 3nix s ASP 86 N 0.38 6.83 -0.25 0.00 2.15 -1.26 -1.76 116.67 122.76 3nix s ASP 86 Ca 0.15 1.00 -0.04 0.00 0.43 0.00 0.00 52.55 54.08 3nix s ASP 86 Cb -0.23 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3nix s ASP 86 CO -0.05 -0.13 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.45 3nix s PHE 87 N 1.07 3.04 -0.30 -5.34 0.40 0.29 -5.02 117.98 112.12 3nix s PHE 87 Ca 0.32 -1.07 -0.14 0.00 -0.60 0.00 0.00 56.93 55.44 3nix s PHE 87 Cb -0.16 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 3nix s PHE 87 CO 0.14 -0.59 0.33 1.21 0.70 0.00 0.00 175.22 177.01 3nix s ASN 88 N 1.45 6.17 0.46 1.36 3.84 -1.26 -1.58 114.94 125.39 3nix s ASN 88 Ca 0.04 0.01 0.25 0.00 0.21 0.00 0.00 52.86 53.36 3nix s ASN 88 Cb -0.16 -2.19 1.36 0.00 -0.55 0.00 0.00 41.25 39.71 3nix s ASN 88 CO -0.02 -0.22 1.73 -0.26 -2.79 0.00 0.00 177.10 175.55 3nix h PHE 89 N 8.34 0.00 0.00 0.43 0.04 -1.43 0.26 116.94 124.58 3nix h PHE 89 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3nix h PHE 89 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 3nix h PHE 89 CO 0.73 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.87 3nix n SER 90 N -2.48 0.27 -3.87 2.17 7.64 -1.26 -4.34 113.62 111.75 3nix n SER 90 Ca -0.02 0.53 -0.29 0.00 1.01 0.00 0.00 58.87 60.10 3nix n SER 90 Cb 0.20 -0.60 -0.13 0.00 -1.01 0.00 0.00 64.21 62.68 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 -3.51 4.33 0.33 6.43 2.15 0.08 -5.08 116.67 121.41 3nix s ASP 91 Ca 0.13 -3.38 0.04 0.00 0.43 0.00 0.00 52.55 49.77 3nix s ASP 91 Cb 0.17 -1.51 -0.03 0.00 -0.30 0.00 0.00 42.92 41.24 3nix s ASP 91 CO 0.55 -0.16 0.18 0.00 -0.17 0.00 0.00 175.17 175.57 3nix s GLN 92 N -0.77 1.70 -0.15 4.34 -2.07 -1.26 -4.45 119.66 116.99 3nix s GLN 92 Ca 0.22 -1.99 -0.27 0.00 -1.82 0.00 0.00 55.36 51.50 3nix s GLN 92 Cb -0.14 -0.12 -0.24 0.00 -1.09 0.00 0.00 33.01 31.42 3nix s GLN 92 CO -0.09 -0.50 0.65 0.35 -1.32 0.00 0.00 175.29 174.38 3nix h PHE 93 N 2.11 0.00 -3.82 9.60 3.57 -1.83 -3.48 116.94 123.09 3nix h PHE 93 Ca -0.32 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.69 3nix h PHE 93 Cb 1.25 0.00 0.05 0.00 2.79 0.00 0.00 35.95 40.04 3nix h PHE 93 CO 1.27 1.05 0.21 -1.12 -2.23 0.00 0.00 178.31 177.49 3nix s SER 94 N -6.31 6.01 0.58 0.41 0.01 -1.26 -5.06 113.70 108.08 3nix s SER 94 Ca -0.20 0.98 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 3nix s SER 94 Cb -0.01 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 3nix s SER 94 CO 0.65 -0.83 1.08 0.20 0.41 0.00 0.00 173.24 174.75 3nix s ASN 95 N -4.19 5.71 0.00 2.44 0.01 -1.26 -4.97 114.94 112.67 3nix s ASN 95 Ca 0.51 1.94 0.00 0.00 -0.71 0.00 0.00 52.86 54.60 3nix s ASN 95 Cb -0.11 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.00 3nix s ASN 95 CO 0.47 -1.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 3nix n GLY 96 N -0.56 1.47 3.73 0.66 0.00 -1.26 -5.03 105.19 104.20 3nix n GLY 96 Ca 0.10 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.25 2.06 -0.02 1.61 0.52 -1.26 -4.96 118.94 115.64 3nix s TRP 97 Ca 0.00 1.54 0.03 0.00 0.02 0.00 0.00 56.10 57.69 3nix s TRP 97 Cb 0.00 -3.59 0.05 0.00 -1.15 0.00 0.00 33.47 28.78 3nix s TRP 97 CO 0.00 -2.77 0.95 0.27 0.02 0.00 0.00 176.95 175.42 3nix n ASN 98 N -2.27 1.68 -3.53 2.95 0.23 -1.26 -4.80 115.26 108.25 3nix n ASN 98 Ca 0.15 -2.02 -0.13 0.00 -0.53 0.00 0.00 54.58 52.05 3nix n ASN 98 Cb 0.49 -0.07 -0.04 0.00 -2.08 0.00 0.00 39.78 38.07 3nix n ASN 98 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 3nix s TRP 99 N -1.11 -0.48 0.00 -2.53 1.48 -1.26 -4.28 118.94 110.77 3nix s TRP 99 Ca 0.05 0.68 0.00 0.00 -1.06 0.00 0.00 56.10 55.77 3nix s TRP 99 Cb 0.04 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 3nix s TRP 99 CO 0.00 -0.52 0.00 -2.37 -4.06 0.00 0.00 176.95 170.00 3nix n THR 100 N 0.48 0.00 -4.34 0.66 5.66 0.20 -4.67 114.28 112.27 3nix n THR 100 Ca -0.13 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.65 3nix n THR 100 Cb 0.59 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.71 1.81 -0.14 1.09 0.51 -1.26 0.32 118.94 118.56 3nix s TRP 101 Ca 0.00 -0.48 -0.09 0.00 -2.12 0.00 0.00 56.10 53.40 3nix s TRP 101 Cb 0.00 -0.88 -0.04 0.00 -0.81 0.00 0.00 33.47 31.73 3nix s TRP 101 CO 0.00 0.35 0.17 -0.65 -0.51 0.00 0.00 176.95 176.31 3nix s GLN 102 N -2.99 3.76 -0.10 4.98 -1.52 0.83 -2.57 119.66 122.04 3nix s GLN 102 Ca 0.18 -0.10 -0.05 0.00 -1.95 0.00 0.00 55.36 53.44 3nix s GLN 102 Cb -0.05 -3.28 0.05 0.00 -0.22 0.00 0.00 33.01 29.51 3nix s GLN 102 CO 0.07 0.59 0.22 0.14 -0.25 0.00 0.00 175.29 176.06 3nix s VAL 103 N -0.51 -0.08 0.03 1.09 -7.23 -0.29 -3.51 120.40 109.90 3nix s VAL 103 Ca 0.14 0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 3nix s VAL 103 Cb -0.12 -0.35 -0.06 0.00 0.56 0.00 0.00 36.38 36.41 3nix s VAL 103 CO 0.03 0.07 1.47 -2.84 -0.31 0.00 0.00 175.10 173.52 3nix s PRO 104 N 1.38 4.26 0.45 4.82 0.02 -1.26 -4.51 135.00 140.16 3nix s PRO 104 Ca -0.08 2.08 0.16 0.00 0.02 0.00 0.00 61.00 63.18 3nix s PRO 104 Cb -0.11 -3.56 1.04 0.00 0.02 0.00 0.00 34.50 31.89 3nix s PRO 104 CO -0.08 -0.61 1.99 0.00 -0.33 0.00 0.00 177.00 177.97 3nix h ARG 105 N 7.91 0.00 0.17 5.54 2.47 -1.88 -1.24 114.38 127.35 3nix h ARG 105 Ca -0.39 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.34 3nix h ARG 105 Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 3nix h ARG 105 CO 0.91 0.19 -0.31 0.78 0.56 0.00 0.00 179.97 182.10 3nix h GLY 106 N 0.64 -0.63 1.30 0.04 0.00 -1.83 0.55 103.07 103.13 3nix h GLY 106 Ca -0.00 0.37 -0.20 0.00 0.00 0.00 0.00 47.33 47.50 3nix h GLY 106 CO 0.02 -0.25 -0.71 3.43 0.00 0.00 0.00 176.54 179.04 3nix h ASN 107 N -0.57 0.82 0.02 0.19 2.35 -1.81 -2.40 115.58 114.18 3nix h ASN 107 Ca 0.02 -0.51 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3nix h ASN 107 Cb 0.58 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3nix h ASN 107 CO -0.15 1.29 -0.01 0.15 -1.65 0.00 0.00 177.43 177.06 3nix h PHE 108 N 0.50 -0.03 0.00 1.19 3.57 -1.12 0.77 116.94 121.82 3nix h PHE 108 Ca -0.03 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3nix h PHE 108 Cb 1.31 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 3nix h PHE 108 CO 0.07 -0.01 -0.45 -0.44 -2.23 0.00 0.00 178.31 175.25 3nix h ASP 109 N -0.04 0.00 0.01 0.41 3.32 0.13 -2.33 116.42 117.91 3nix h ASP 109 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nix h ASP 109 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3nix h ASP 109 CO 0.00 0.45 -0.00 0.50 -1.72 0.00 0.00 179.24 178.47 3nix h LYS 110 N 0.00 -0.01 -0.79 3.56 3.64 -1.36 -0.50 116.57 121.11 3nix h LYS 110 Ca -0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 3nix h LYS 110 Cb 0.95 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.67 3nix h LYS 110 CO 0.06 0.50 0.28 1.15 -2.27 0.00 0.00 179.45 179.17 3nix h THR 111 N -0.52 0.56 -0.15 1.00 2.02 -0.55 0.32 112.91 115.58 3nix h THR 111 Ca -0.00 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3nix h THR 111 Cb 0.51 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3nix h THR 111 CO 0.00 0.07 -0.05 -0.07 0.37 0.00 0.00 175.52 175.84 3nix h LEU 112 N 0.37 0.31 -0.49 2.58 4.07 -1.40 -1.46 115.31 119.31 3nix h LEU 112 Ca 0.45 -0.39 -0.05 0.00 0.08 0.00 0.00 57.88 57.98 3nix h LEU 112 Cb 0.77 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 3nix h LEU 112 CO -0.48 0.63 0.12 0.00 -1.08 0.00 0.00 178.44 177.64 3nix h ALA 113 N 0.69 0.65 -0.64 1.53 0.00 -0.18 0.11 119.26 121.42 3nix h ALA 113 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3nix h ALA 113 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3nix h ALA 113 CO 0.02 0.34 0.34 -0.44 0.00 0.00 0.00 179.25 179.51 3nix h ASP 114 N 0.67 0.78 -0.24 0.00 5.19 -0.44 -1.61 116.42 120.78 3nix h ASP 114 Ca 0.15 -0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 3nix h ASP 114 Cb 0.33 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3nix h ASP 114 CO 0.00 0.64 -0.03 -0.08 -3.12 0.00 0.00 179.24 176.65 3nix h GLU 115 N 0.89 0.44 -0.48 3.56 4.57 -0.55 -2.48 114.58 120.52 3nix h GLU 115 Ca 0.23 -0.15 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 3nix h GLU 115 Cb 0.04 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3nix h GLU 115 CO -0.04 0.64 0.08 0.00 -1.18 0.00 0.00 179.01 178.52 3nix h ALA 116 N 0.78 0.53 0.35 2.92 0.00 -0.42 -0.66 119.26 122.75 3nix h ALA 116 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3nix h ALA 116 Cb 0.46 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3nix h ALA 116 CO 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 179.25 178.78 3nix h ALA 117 N 1.38 -0.47 -1.40 0.00 0.00 -1.29 0.91 119.26 118.40 3nix h ALA 117 Ca 0.24 -0.16 0.41 0.00 0.00 0.00 0.00 54.91 55.40 3nix h ALA 117 Cb 0.33 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3nix h ALA 117 CO -0.33 -0.67 0.97 -0.09 0.00 0.00 0.00 179.25 179.14 3nix h ARG 118 N -0.67 0.07 0.00 0.00 2.43 -1.43 0.30 114.38 115.09 3nix h ARG 118 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3nix h ARG 118 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3nix h ARG 118 CO 0.08 0.05 0.00 0.37 -1.51 0.00 0.00 179.97 178.96 3nix h GLN 119 N 0.07 0.00 0.00 0.20 4.15 0.72 -3.46 115.11 116.80 3nix h GLN 119 Ca 0.72 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.14 3nix h GLN 119 Cb 2.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.30 3nix h GLN 119 CO -0.13 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.18 3nix n GLY 120 N 1.03 1.20 3.77 2.39 0.00 0.10 -4.99 105.19 108.70 3nix n GLY 120 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.51 2.59 -0.69 1.61 1.01 -0.20 -4.92 120.40 118.28 3nix s VAL 121 Ca 0.00 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 3nix s VAL 121 Cb 0.00 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 33.10 3nix s VAL 121 CO 0.00 0.14 0.91 -0.62 0.00 0.00 0.00 175.10 175.52 3nix s ASP 122 N -0.45 6.27 -0.22 3.32 2.15 -1.21 -4.07 116.67 122.46 3nix s ASP 122 Ca 0.50 -1.36 -0.14 0.00 0.43 0.00 0.00 52.55 51.98 3nix s ASP 122 Cb -0.41 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 3nix s ASP 122 CO 0.54 -1.25 0.33 -0.69 -0.17 0.00 0.00 175.17 173.93 3nix s VAL 123 N 3.29 5.24 -0.17 1.11 1.01 -1.26 -1.99 120.40 127.63 3nix s VAL 123 Ca 0.20 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 3nix s VAL 123 Cb -0.17 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.58 3nix s VAL 123 CO 0.05 0.27 -0.08 -0.70 0.00 0.00 0.00 175.10 174.64 3nix s GLU 124 N 1.32 1.67 0.51 2.72 2.12 -0.36 -5.01 118.70 121.68 3nix s GLU 124 Ca 0.16 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.94 3nix s GLU 124 Cb -0.14 -2.08 0.03 0.00 0.26 0.00 0.00 34.13 32.19 3nix s GLU 124 CO 0.07 -0.40 0.72 0.71 -0.54 0.00 0.00 175.26 175.82 3nix s TYR 125 N 1.56 2.76 -1.49 5.30 2.02 -1.26 -0.61 117.35 125.63 3nix s TYR 125 Ca 0.01 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.45 3nix s TYR 125 Cb -0.15 -2.63 0.06 0.00 -0.40 0.00 0.00 41.96 38.85 3nix s TYR 125 CO -0.08 -0.76 0.80 0.39 -1.57 0.00 0.00 175.55 174.32 3nix n GLU 126 N -2.20 -4.69 -3.44 -0.62 1.02 0.11 -4.85 120.64 105.97 3nix n GLU 126 Ca 0.08 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.57 3nix n GLU 126 Cb 0.60 -5.21 -0.11 0.00 -0.02 0.00 0.00 31.44 26.70 3nix n GLU 126 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3nix s VAL 127 N -3.49 -0.34 -0.11 2.62 -7.23 -0.79 -3.56 120.40 107.49 3nix s VAL 127 Ca 0.41 -0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 3nix s VAL 127 Cb -0.21 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 3nix s VAL 127 CO 0.85 -0.45 0.26 -0.83 -0.31 0.00 0.00 175.10 174.62 3nix s GLY 128 N 2.32 2.24 0.34 2.32 0.00 -1.01 -3.47 107.32 110.06 3nix s GLY 128 Ca 0.09 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 3nix s GLY 128 CO -0.29 0.10 1.32 -0.62 0.00 0.00 0.00 173.10 173.61 3nix n VAL 129 N 2.69 1.94 0.00 1.40 0.31 -1.26 -1.83 118.33 121.57 3nix n VAL 129 Ca -0.15 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 3nix n VAL 129 Cb 0.53 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 0.45 0.00 -3.55 2.52 5.66 0.34 -4.90 114.28 114.80 3nix n THR 130 Ca 0.05 -0.01 -0.15 0.00 -3.05 0.00 0.00 64.05 60.88 3nix n THR 130 Cb 0.36 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.03 -0.57 -0.04 1.09 2.15 -1.22 -4.99 116.67 112.06 3nix s ASP 131 Ca 0.00 0.67 0.01 0.00 0.43 0.00 0.00 52.55 53.66 3nix s ASP 131 Cb 0.00 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 3nix s ASP 131 CO 0.00 -0.48 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.84 3nix s ILE 132 N -1.01 0.53 -0.16 4.11 1.01 -1.26 -1.23 121.20 123.18 3nix s ILE 132 Ca -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 3nix s ILE 132 Cb -0.01 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 3nix s ILE 132 CO 0.06 0.22 -0.14 -0.75 0.00 0.00 0.00 174.94 174.33 3nix s LYS 133 N 0.94 3.22 -0.19 2.79 2.47 -0.31 -5.00 119.74 123.66 3nix s LYS 133 Ca -0.11 -0.74 -0.12 0.00 -1.56 0.00 0.00 55.97 53.44 3nix s LYS 133 Cb -0.14 -2.66 -0.05 0.00 -1.46 0.00 0.00 37.83 33.52 3nix s LYS 133 CO -0.00 -0.02 0.21 -0.06 0.16 0.00 0.00 175.35 175.64 3nix s PHE 134 N 0.91 3.42 -0.36 4.03 0.08 -1.26 -1.44 117.98 123.36 3nix s PHE 134 Ca -0.03 0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.49 3nix s PHE 134 Cb -0.15 -2.26 0.11 0.00 -0.57 0.00 0.00 43.02 40.14 3nix s PHE 134 CO -0.01 0.23 0.09 0.12 -0.10 0.00 0.00 175.22 175.55 3nix s PHE 135 N 0.52 3.21 0.00 0.36 5.36 0.70 -5.00 117.98 123.12 3nix s PHE 135 Ca 0.12 -2.75 0.00 0.00 -0.96 0.00 0.00 56.93 53.34 3nix s PHE 135 Cb -0.12 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.93 3nix s PHE 135 CO 0.01 -0.90 0.00 0.41 -1.46 0.00 0.00 175.22 173.28 3nix n GLY 136 N 4.19 4.00 0.89 13.12 0.00 -1.26 -1.90 105.19 124.22 3nix n GLY 136 Ca 0.03 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -3.22 2.61 -2.24 -1.26 -4.56 114.28 105.61 3nix n THR 137 Ca 0.00 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 3nix n THR 137 Cb 0.00 1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.01 6.40 -0.03 3.42 1.01 -0.80 -4.18 116.67 120.48 3nix s ASP 138 Ca 0.26 0.73 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 3nix s ASP 138 Cb 0.19 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.99 3nix s ASP 138 CO 0.32 -0.28 0.24 -0.94 0.21 0.00 0.00 175.17 174.72 3nix s SER 139 N -3.43 -0.14 -0.21 0.27 1.04 -0.69 -0.21 113.70 110.31 3nix s SER 139 Ca 0.44 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 3nix s SER 139 Cb -0.10 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.37 3nix s SER 139 CO 0.33 -0.31 -0.09 -0.69 0.98 0.00 0.00 173.24 173.45 3nix s VAL 140 N -0.91 2.87 -0.13 5.02 1.01 -0.52 -1.37 120.40 126.38 3nix s VAL 140 Ca -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3nix s VAL 140 Cb -0.05 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3nix s VAL 140 CO 0.02 0.41 -0.02 -0.89 0.00 0.00 0.00 175.10 174.62 3nix s THR 141 N 1.39 4.06 -0.09 3.92 2.01 -0.05 -1.16 115.64 125.72 3nix s THR 141 Ca 0.04 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 3nix s THR 141 Cb -0.14 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3nix s THR 141 CO -0.06 0.53 0.24 -0.89 -0.69 0.00 0.00 174.62 173.75 3nix s THR 142 N -0.08 5.32 0.40 -0.82 2.01 -0.37 0.10 115.64 122.21 3nix s THR 142 Ca 0.03 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.55 3nix s THR 142 Cb -0.13 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 3nix s THR 142 CO 0.02 0.57 0.02 0.27 -0.69 0.00 0.00 174.62 174.82 3nix s ILE 143 N -0.80 2.11 -0.05 1.82 -4.36 -0.45 -0.50 121.20 118.97 3nix s ILE 143 Ca 0.18 -1.98 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3nix s ILE 143 Cb -0.14 -2.94 0.03 0.00 1.25 0.00 0.00 42.46 40.66 3nix s ILE 143 CO 0.07 -0.04 0.00 -0.70 0.24 0.00 0.00 174.94 174.51 3nix s GLU 144 N -3.73 0.45 0.98 0.37 2.12 -0.76 -2.64 118.70 115.49 3nix s GLU 144 Ca 0.36 0.10 -0.16 0.00 0.36 0.00 0.00 54.97 55.62 3nix s GLU 144 Cb 0.07 -0.73 0.21 0.00 0.26 0.00 0.00 34.13 33.95 3nix s GLU 144 CO 0.19 -0.21 1.33 0.16 -0.54 0.00 0.00 175.26 176.18 3nix s ASP 145 N 1.51 3.00 0.42 -1.70 1.47 -1.21 -2.41 116.67 117.74 3nix s ASP 145 Ca -0.03 0.25 0.29 0.00 1.18 0.00 0.00 52.55 54.24 3nix s ASP 145 Cb -0.13 -0.27 1.50 0.00 -0.34 0.00 0.00 42.92 43.68 3nix s ASP 145 CO -0.03 -2.81 1.87 0.40 0.68 0.00 0.00 175.17 175.28 3nix h ILE 146 N -1.69 0.00 0.00 2.11 2.04 -1.94 -2.17 117.51 115.85 3nix h ILE 146 Ca -0.44 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 3nix h ILE 146 Cb 1.23 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3nix h ILE 146 CO 0.36 0.00 -1.97 0.59 0.00 0.00 0.00 178.15 177.13 3nix n ASN 147 N -2.51 0.09 0.00 1.72 3.02 -1.26 -4.99 115.26 111.32 3nix n ASN 147 Ca -0.01 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3nix n ASN 147 Cb 0.08 1.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 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 1.34 1.24 3.55 7.41 0.00 -0.82 -5.08 105.19 112.83 3nix n GLY 148 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 6.43 0.41 1.61 -0.87 -1.26 -4.82 114.94 114.43 3nix s ASN 149 Ca 0.00 -0.05 -0.24 0.00 -1.57 0.00 0.00 52.86 50.99 3nix s ASN 149 Cb 0.00 -2.39 -0.08 0.00 -0.02 0.00 0.00 41.25 38.76 3nix s ASN 149 CO 0.00 -0.89 1.10 -0.54 -2.57 0.00 0.00 177.10 174.20 3nix s LYS 150 N 3.26 4.07 0.04 -0.60 1.02 -1.26 -3.35 119.74 122.93 3nix s LYS 150 Ca 0.30 1.64 -0.16 0.00 0.02 0.00 0.00 55.97 57.78 3nix s LYS 150 Cb -0.12 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 3nix s LYS 150 CO 0.22 -0.26 0.35 -0.98 -0.92 0.00 0.00 175.35 173.76 3nix s ARG 151 N -2.47 0.85 0.08 1.68 1.70 -1.08 -4.98 118.95 114.73 3nix s ARG 151 Ca 0.58 -0.43 0.03 0.00 -0.47 0.00 0.00 55.73 55.45 3nix s ARG 151 Cb -0.25 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 3nix s ARG 151 CO 0.32 -0.28 0.05 -1.21 -1.08 0.00 0.00 175.30 173.10 3nix s GLU 152 N -2.46 2.78 -0.05 3.89 2.02 -1.26 -1.34 118.70 122.28 3nix s GLU 152 Ca -0.05 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.24 3nix s GLU 152 Cb -0.01 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.55 3nix s GLU 152 CO -0.03 0.56 -0.13 0.42 0.02 0.00 0.00 175.26 176.11 3nix s ILE 153 N -1.35 1.11 -0.15 -1.63 1.01 0.12 -4.94 121.20 115.36 3nix s ILE 153 Ca 0.28 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3nix s ILE 153 Cb -0.12 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3nix s ILE 153 CO 0.20 0.34 0.04 -0.70 0.00 0.00 0.00 174.94 174.82 3nix s GLU 154 N 0.34 3.68 -0.01 2.79 2.12 -1.26 -0.87 118.70 125.50 3nix s GLU 154 Ca -0.08 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 3nix s GLU 154 Cb -0.12 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.20 3nix s GLU 154 CO 0.02 0.39 0.02 0.00 -0.54 0.00 0.00 175.26 175.15 3nix s ALA 155 N 0.01 -0.02 0.11 6.30 0.00 -0.47 -3.88 121.76 123.80 3nix s ALA 155 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3nix s ALA 155 Cb -0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 23.12 22.79 3nix s ALA 155 CO 0.01 -0.02 1.30 0.00 0.00 0.00 0.00 175.76 177.05 3nix h ARG 156 N 6.32 0.74 -4.54 0.00 3.08 -1.61 -1.84 114.38 116.52 3nix h ARG 156 Ca -0.28 -0.64 -0.32 0.00 0.07 0.00 0.00 59.98 58.82 3nix h ARG 156 Cb 1.20 0.14 -0.25 0.00 0.08 0.00 0.00 29.97 31.14 3nix h ARG 156 CO 0.50 1.24 -0.75 0.12 -1.07 0.00 0.00 179.97 180.01 3nix s PHE 157 N -3.66 0.65 -0.22 3.04 5.36 -0.12 -4.43 117.98 118.60 3nix s PHE 157 Ca -0.10 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.55 3nix s PHE 157 Cb 0.09 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.37 3nix s PHE 157 CO 0.90 -0.04 -0.09 0.42 -1.46 0.00 0.00 175.22 174.96 3nix s ILE 158 N -0.75 2.91 -0.41 3.12 1.01 0.39 -0.76 121.20 126.71 3nix s ILE 158 Ca -0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 3nix s ILE 158 Cb -0.06 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3nix s ILE 158 CO 0.00 0.40 0.49 -0.63 0.00 0.00 0.00 174.94 175.20 3nix s ILE 159 N 1.39 5.03 -0.68 2.92 1.01 -0.55 -2.46 121.20 127.86 3nix s ILE 159 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 3nix s ILE 159 Cb -0.14 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.31 3nix s ILE 159 CO -0.06 -0.42 1.15 -0.62 0.00 0.00 0.00 174.94 174.99 3nix s ASP 160 N 1.84 6.21 -0.34 3.58 -1.08 -0.17 -1.69 116.67 125.03 3nix s ASP 160 Ca 0.15 -0.52 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 3nix s ASP 160 Cb -0.16 -2.51 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 3nix s ASP 160 CO 0.15 -1.63 1.43 0.00 0.52 0.00 0.00 175.17 175.63 3nix n ALA 161 N 8.63 4.82 1.65 3.66 0.00 0.70 -1.84 120.51 138.12 3nix n ALA 161 Ca 0.02 -3.45 0.09 0.00 0.00 0.00 0.00 53.44 50.09 3nix n ALA 161 Cb 0.48 -0.70 0.50 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.95 0.00 0.00 0.00 3.41 -0.38 -4.13 113.62 111.57 3nix n SER 162 Ca 0.40 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 3nix n SER 162 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.54 3.15 0.33 5.00 0.00 -1.26 -0.60 105.19 112.35 3nix n GLY 163 Ca 0.13 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 1.61 -1.99 -1.93 0.58 116.97 115.24 3nix h TYR 164 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 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 -0.39 0.78 -0.00 0.00 0.00 178.16 178.55 3nix h GLY 165 N 0.00 0.00 -6.64 3.88 0.00 -1.19 -3.47 103.07 95.65 3nix h GLY 165 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3nix h GLY 165 CO 0.00 0.00 -0.95 0.54 0.00 0.00 0.00 176.54 176.13 3nix n ARG 166 N -4.04 -1.47 0.19 4.80 5.12 0.19 -4.83 116.66 116.62 3nix n ARG 166 Ca -0.02 0.27 -0.14 0.00 -1.93 0.00 0.00 57.85 56.03 3nix n ARG 166 Cb 0.43 -3.70 -0.07 0.00 -1.16 0.00 0.00 32.46 27.95 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 -2.07 0.57 -0.01 1.55 2.07 -1.85 -1.53 116.25 114.97 3nix h VAL 167 Ca -0.67 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.64 3nix h VAL 167 Cb 1.38 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3nix h VAL 167 CO 0.57 0.00 -0.82 0.40 0.02 0.00 0.00 177.57 177.74 3nix h ILE 168 N -0.49 1.35 -0.25 4.57 2.04 -1.94 -3.04 117.51 119.75 3nix h ILE 168 Ca -0.02 -2.14 0.07 0.00 1.00 0.00 0.00 64.86 63.77 3nix h ILE 168 Cb 0.42 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3nix h ILE 168 CO 0.01 0.65 0.24 -0.65 0.00 0.00 0.00 178.15 178.39 3nix h PRO 169 N 0.17 0.00 -0.97 2.37 0.11 -1.84 -2.16 132.00 129.68 3nix h PRO 169 Ca -0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.89 3nix h PRO 169 Cb 1.49 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.53 3nix h PRO 169 CO 0.16 0.00 0.15 0.54 -0.21 0.00 0.00 178.00 178.64 3nix n ARG 170 N -3.96 1.52 0.00 1.05 1.74 -0.58 0.06 116.66 116.49 3nix n ARG 170 Ca 0.03 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 3nix n ARG 170 Cb 0.38 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.06 0.00 -3.84 -1.55 3.01 -0.81 -4.84 117.46 109.49 3nix n PHE 172 Ca 0.15 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.35 3nix n PHE 172 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.25 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 -0.43 1.21 1.37 0.00 -1.00 -4.89 105.19 101.45 3nix n GLY 173 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.33 3.57 -4.72 0.99 4.77 0.11 -4.93 117.00 112.46 3nix n LEU 174 Ca -0.25 -1.67 -0.42 0.00 -0.03 0.00 0.00 56.01 53.64 3nix n LEU 174 Cb 0.66 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3nix n LEU 174 CO 0.72 0.84 0.89 -1.81 -1.33 0.00 0.00 177.39 176.69 3nix s ASP 175 N -1.24 7.07 -0.23 -1.43 1.01 -1.23 -0.13 116.67 120.50 3nix s ASP 175 Ca 0.43 2.06 -0.01 0.00 0.71 0.00 0.00 52.55 55.74 3nix s ASP 175 Cb 0.24 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.65 3nix s ASP 175 CO 0.32 -0.46 -0.00 -0.75 0.21 0.00 0.00 175.17 174.49 3nix s LYS 176 N 0.85 1.16 0.14 8.23 2.20 0.91 -4.77 119.74 128.45 3nix s LYS 176 Ca 0.58 -0.81 -0.32 0.00 -0.36 0.00 0.00 55.97 55.06 3nix s LYS 176 Cb -0.30 -2.36 -0.18 0.00 -1.51 0.00 0.00 37.83 33.48 3nix s LYS 176 CO 0.30 -0.66 0.78 -2.30 -0.36 0.00 0.00 175.35 173.10 3nix n PRO 177 N 4.82 0.17 -2.65 4.03 -0.02 -1.26 -1.97 135.00 138.12 3nix n PRO 177 Ca -0.09 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 3nix n PRO 177 Cb 0.45 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.57 7.03 0.00 2.55 0.15 -1.26 -4.70 113.70 116.90 3nix s SER 178 Ca 0.73 1.95 0.16 0.00 0.70 0.00 0.00 55.95 59.49 3nix s SER 178 Cb -1.02 -2.58 0.68 0.00 -1.71 0.00 0.00 66.02 61.39 3nix s SER 178 CO 0.56 -0.29 1.49 0.61 1.20 0.00 0.00 173.24 176.81 3nix n GLY 179 N 0.42 -1.00 3.74 9.45 0.00 -1.26 -4.74 105.19 111.81 3nix n GLY 179 Ca 0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3nix n GLY 179 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 180 N -2.93 3.73 0.63 1.61 0.08 -1.26 -5.03 117.98 114.81 3nix s PHE 180 Ca 0.09 1.74 -0.15 0.00 0.12 0.00 0.00 56.93 58.73 3nix s PHE 180 Cb 0.10 -3.17 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 3nix s PHE 180 CO 0.28 -0.19 1.07 -1.83 -0.10 0.00 0.00 175.22 174.45 3nix s GLU 181 N -0.77 3.09 0.40 0.44 -1.05 -1.26 -4.94 118.70 114.60 3nix s GLU 181 Ca 0.46 1.22 -0.27 0.00 -0.15 0.00 0.00 54.97 56.23 3nix s GLU 181 Cb -0.28 -2.00 -0.09 0.00 -0.44 0.00 0.00 34.13 31.31 3nix s GLU 181 CO 0.35 -0.99 1.38 0.45 0.95 0.00 0.00 175.26 177.39 3nix s SER 182 N -2.87 6.30 0.28 0.83 0.15 -1.26 -4.96 113.70 112.17 3nix s SER 182 Ca 0.64 2.83 0.02 0.00 0.70 0.00 0.00 55.95 60.13 3nix s SER 182 Cb -0.17 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 61.43 3nix s SER 182 CO 0.41 -0.88 0.08 -0.13 1.20 0.00 0.00 173.24 173.92 3nix s ARG 183 N -2.17 1.48 0.06 5.44 0.52 -1.26 -4.61 118.95 118.40 3nix s ARG 183 Ca 0.55 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 3nix s ARG 183 Cb -0.42 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 3nix s ARG 183 CO 0.55 -0.25 -0.08 0.50 0.02 0.00 0.00 175.30 176.04 3nix s ARG 184 N -3.98 0.62 0.00 3.54 3.52 0.27 -1.82 118.95 121.10 3nix s ARG 184 Ca 0.37 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 55.05 3nix s ARG 184 Cb 0.08 -0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.12 3nix s ARG 184 CO 0.14 0.05 0.06 -0.08 -0.81 0.00 0.00 175.30 174.66 3nix s THR 185 N -1.77 0.08 -0.04 4.11 -1.32 -0.13 -1.21 115.64 115.36 3nix s THR 185 Ca -0.05 -0.63 -0.01 0.00 -1.21 0.00 0.00 61.69 59.79 3nix s THR 185 Cb -0.07 -0.30 0.03 0.00 -1.51 0.00 0.00 72.50 70.64 3nix s THR 185 CO -0.00 -0.35 0.01 -0.22 -2.21 0.00 0.00 174.62 171.85 3nix s LEU 186 N -1.12 0.75 0.16 9.08 0.20 -0.74 -2.19 118.68 124.81 3nix s LEU 186 Ca -0.12 -0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.53 3nix s LEU 186 Cb -0.07 -0.27 0.02 0.00 -0.43 0.00 0.00 46.19 45.44 3nix s LEU 186 CO 0.00 -0.16 0.42 0.72 -0.29 0.00 0.00 176.35 177.04 3nix s PHE 187 N 1.58 -0.02 0.22 5.38 -0.12 -0.96 -0.93 117.98 123.13 3nix s PHE 187 Ca -0.02 -0.33 -0.19 0.00 -0.05 0.00 0.00 56.93 56.34 3nix s PHE 187 Cb -0.13 0.24 0.07 0.00 -0.63 0.00 0.00 43.02 42.57 3nix s PHE 187 CO -0.03 -0.80 0.93 -2.37 -0.05 0.00 0.00 175.22 172.90 3nix n THR 188 N -0.27 0.00 -4.08 -4.49 5.66 -0.97 -1.42 114.28 108.72 3nix n THR 188 Ca -0.11 -0.63 -0.36 0.00 -3.05 0.00 0.00 64.05 59.90 3nix n THR 188 Cb 0.63 0.78 -0.07 0.00 -1.55 0.00 0.00 70.33 70.12 3nix n THR 188 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3nix s HIS 189 N -2.35 3.41 -0.02 1.09 3.76 -1.26 -1.68 115.29 118.24 3nix s HIS 189 Ca 0.20 0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.52 3nix s HIS 189 Cb -0.03 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 3nix s HIS 189 CO 0.07 0.62 -0.13 0.42 -0.85 0.00 0.00 174.74 174.87 3nix s ILE 190 N -1.01 3.17 -0.42 0.60 1.01 0.19 -2.05 121.20 122.69 3nix s ILE 190 Ca 0.16 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3nix s ILE 190 Cb -0.12 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3nix s ILE 190 CO 0.05 0.50 1.39 -0.75 0.00 0.00 0.00 174.94 176.14 3nix s LYS 191 N -1.01 3.59 -0.21 2.79 2.20 -0.28 -0.15 119.74 126.67 3nix s LYS 191 Ca 0.13 0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 56.59 3nix s LYS 191 Cb -0.11 -4.02 -0.18 0.00 -1.51 0.00 0.00 37.83 32.02 3nix s LYS 191 CO 0.03 -1.55 3.38 -3.47 -0.36 0.00 0.00 175.35 173.38 3nix n ASP 192 N 8.74 5.76 -0.34 1.43 2.03 -0.11 -4.46 116.55 129.60 3nix n ASP 192 Ca 0.16 -2.66 0.19 0.00 0.52 0.00 0.00 54.79 53.00 3nix n ASP 192 Cb 0.48 -1.39 0.41 0.00 -0.72 0.00 0.00 41.12 39.91 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 2.07 0.54 -0.49 5.18 2.07 -1.89 0.22 116.25 123.95 3nix h VAL 193 Ca 0.28 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3nix h VAL 193 Cb 1.25 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3nix h VAL 193 CO 0.48 0.10 0.00 0.29 0.02 0.00 0.00 177.57 178.46 3nix n LYS 194 N -4.81 3.40 -1.54 1.57 4.01 -1.26 -4.99 118.16 114.53 3nix n LYS 194 Ca 0.26 -2.30 -0.46 0.00 -0.51 0.00 0.00 58.31 55.30 3nix n LYS 194 Cb 0.77 -1.86 -0.02 0.00 -0.51 0.00 0.00 35.03 33.41 3nix n LYS 194 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3nix n ARG 195 N 0.75 1.03 -0.86 1.97 0.63 0.78 -4.94 116.66 116.00 3nix n ARG 195 Ca 0.21 0.36 -0.29 0.00 -0.92 0.00 0.00 57.85 57.21 3nix n ARG 195 Cb 0.80 -1.65 0.22 0.00 0.45 0.00 0.00 32.46 32.28 3nix n ARG 195 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3nix s PRO 196 N -1.36 -0.60 -0.15 -0.14 0.02 -1.26 -5.17 135.00 126.34 3nix s PRO 196 Ca 0.61 0.52 0.02 0.00 0.02 0.00 0.00 61.00 62.17 3nix s PRO 196 Cb -0.76 -1.62 0.25 0.00 0.02 0.00 0.00 34.50 32.39 3nix s PRO 196 CO 0.59 -3.43 1.27 0.28 -0.33 0.00 0.00 177.00 175.37 3nix n VAL 197 N -4.66 1.66 0.00 3.83 0.31 -1.26 -5.16 118.33 113.04 3nix n VAL 197 Ca 0.05 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3nix n VAL 197 Cb 0.57 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.04 0.90 2.34 2.92 0.00 -1.26 -5.28 105.19 104.77 3nix n GLY 203 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 5.96 -3.83 1.61 6.94 -1.26 -4.85 115.26 119.82 3nix n ASN 204 Ca 0.00 -3.77 -0.11 0.00 -0.02 0.00 0.00 54.58 50.68 3nix n ASN 204 Cb 0.00 -0.64 -0.09 0.00 -2.36 0.00 0.00 39.78 36.70 3nix n ASN 204 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3nix s ARG 205 N -3.72 0.67 0.31 -3.83 1.81 -1.26 -2.15 118.95 110.78 3nix s ARG 205 Ca 0.54 -0.54 -0.21 0.00 -1.72 0.00 0.00 55.73 53.79 3nix s ARG 205 Cb 0.44 0.28 -0.09 0.00 -0.45 0.00 0.00 34.95 35.12 3nix s ARG 205 CO -0.10 -0.19 0.84 -1.50 -0.68 0.00 0.00 175.30 173.67 3nix s ILE 206 N -2.26 4.43 -0.09 1.52 2.07 -1.17 -4.51 121.20 121.18 3nix s ILE 206 Ca -0.07 1.46 0.02 0.00 -1.41 0.00 0.00 60.65 60.65 3nix s ILE 206 Cb -0.02 -3.83 -0.02 0.00 0.13 0.00 0.00 42.46 38.72 3nix s ILE 206 CO -0.02 0.04 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.01 3nix s THR 207 N -1.74 2.98 -0.20 4.00 2.01 -0.23 -1.88 115.64 120.59 3nix s THR 207 Ca 0.50 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3nix s THR 207 Cb -0.15 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.16 3nix s THR 207 CO 0.20 0.56 -0.12 0.00 -0.69 0.00 0.00 174.62 174.56 3nix s ALA 208 N -0.14 2.57 -0.22 7.40 0.00 -0.20 -0.58 121.76 130.58 3nix s ALA 208 Ca -0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 3nix s ALA 208 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3nix s ALA 208 CO 0.03 -0.36 0.02 0.08 0.00 0.00 0.00 175.76 175.53 3nix s VAL 209 N 1.33 3.95 -0.43 0.00 1.01 0.66 -0.59 120.40 126.33 3nix s VAL 209 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3nix s VAL 209 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3nix s VAL 209 CO -0.07 0.39 1.35 -0.69 0.00 0.00 0.00 175.10 176.08 3nix s VAL 210 N 1.35 3.97 -0.24 2.92 1.01 0.32 -1.63 120.40 128.10 3nix s VAL 210 Ca 0.05 0.99 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 3nix s VAL 210 Cb -0.15 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3nix s VAL 210 CO 0.01 -0.81 -0.36 1.57 0.00 0.00 0.00 175.10 175.52 3nix n HIS 211 N 8.61 0.00 -4.54 5.22 -0.00 -0.43 -4.49 115.22 119.59 3nix n HIS 211 Ca 0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.62 3nix n HIS 211 Cb 0.48 -0.82 -0.09 0.00 -0.00 0.00 0.00 29.99 29.57 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 -2.66 1.89 0.29 1.57 -0.14 -0.33 -4.96 119.74 115.40 3nix s LYS 212 Ca -0.35 -2.13 0.01 0.00 -1.36 0.00 0.00 55.97 52.13 3nix s LYS 212 Cb 0.11 -0.91 0.69 0.00 -1.68 0.00 0.00 37.83 36.03 3nix s LYS 212 CO 0.47 -0.34 1.62 -1.35 -0.76 0.00 0.00 175.35 174.99 3nix h PRO 213 N 1.81 0.13 -0.42 -1.68 0.10 -1.98 -2.72 132.00 127.24 3nix h PRO 213 Ca -0.39 -0.01 -0.31 0.00 0.10 0.00 0.00 66.00 65.39 3nix h PRO 213 Cb 1.27 -0.03 -0.30 0.00 0.10 0.00 0.00 31.00 32.04 3nix h PRO 213 CO 0.65 0.08 -0.80 1.63 0.10 0.00 0.00 178.00 179.67 3nix n LYS 214 N -5.31 2.42 -3.76 1.05 5.02 -1.26 -4.88 118.16 111.44 3nix n LYS 214 Ca 0.21 -3.63 -0.14 0.00 -2.02 0.00 0.00 58.31 52.73 3nix n LYS 214 Cb 0.68 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.67 -0.05 0.24 -0.18 1.01 -1.03 -2.03 120.40 114.68 3nix s VAL 215 Ca 0.42 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 3nix s VAL 215 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.56 3nix s VAL 215 CO -0.02 0.08 0.23 -1.66 0.00 0.00 0.00 175.10 173.73 3nix s TRP 216 N 1.12 1.13 0.01 5.22 1.48 0.56 -1.18 118.94 127.27 3nix s TRP 216 Ca -0.09 -1.32 -0.01 0.00 -1.06 0.00 0.00 56.10 53.61 3nix s TRP 216 Cb -0.12 -0.44 -0.01 0.00 -1.16 0.00 0.00 33.47 31.74 3nix s TRP 216 CO -0.05 -0.77 0.02 -1.50 -4.06 0.00 0.00 176.95 170.59 3nix s ILE 217 N -3.94 0.06 -0.02 0.66 2.07 -0.64 0.79 121.20 120.19 3nix s ILE 217 Ca 0.36 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3nix s ILE 217 Cb 0.05 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 3nix s ILE 217 CO 0.15 -0.29 0.03 -1.66 -1.91 0.00 0.00 174.94 171.25 3nix s TRP 218 N -0.88 3.15 -0.21 3.50 -2.14 0.49 -0.25 118.94 122.61 3nix s TRP 218 Ca -0.10 0.14 -0.01 0.00 2.66 0.00 0.00 56.10 58.80 3nix s TRP 218 Cb -0.06 -1.71 0.06 0.00 -3.10 0.00 0.00 33.47 28.66 3nix s TRP 218 CO -0.00 0.49 -0.03 0.08 -2.66 0.00 0.00 176.95 174.83 3nix s VAL 219 N -1.09 1.16 -0.29 -0.66 1.01 0.25 -2.19 120.40 118.58 3nix s VAL 219 Ca 0.20 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3nix s VAL 219 Cb -0.12 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.87 3nix s VAL 219 CO 0.10 -0.08 -0.04 -0.63 0.00 0.00 0.00 175.10 174.45 3nix s ILE 220 N 1.58 2.30 -0.37 2.22 1.01 0.22 -1.06 121.20 127.10 3nix s ILE 220 Ca -0.03 -1.86 -0.29 0.00 0.00 0.00 0.00 60.65 58.47 3nix s ILE 220 Cb -0.18 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.84 3nix s ILE 220 CO -0.07 -0.24 1.11 -2.16 0.00 0.00 0.00 174.94 173.58 3nix s PRO 221 N 1.05 3.95 0.64 2.79 0.04 -1.26 -0.97 135.00 141.23 3nix s PRO 221 Ca -0.02 0.91 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 3nix s PRO 221 Cb -0.20 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.54 3nix s PRO 221 CO -0.06 -1.07 0.99 -0.06 0.04 0.00 0.00 177.00 176.85 3nix s PHE 222 N 3.95 3.36 -2.45 0.56 0.08 0.13 -4.74 117.98 118.87 3nix s PHE 222 Ca 0.47 0.91 0.27 0.00 0.12 0.00 0.00 56.93 58.70 3nix s PHE 222 Cb -0.11 -2.85 1.00 0.00 -0.57 0.00 0.00 43.02 40.50 3nix s PHE 222 CO 0.21 -0.92 1.71 -1.13 -0.10 0.00 0.00 175.22 174.99 3nix n SER 223 N -2.77 1.52 -0.97 1.36 3.41 -1.26 -3.71 113.62 111.21 3nix n SER 223 Ca 0.05 -1.54 0.07 0.00 -0.26 0.00 0.00 58.87 57.19 3nix n SER 223 Cb 0.57 -0.02 0.21 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.19 2.81 0.00 4.04 6.94 -1.26 -4.89 115.26 123.09 3nix n ASN 224 Ca 0.19 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 3nix n ASN 224 Cb 0.35 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 3nix n ASN 224 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3nix n GLY 225 N 1.03 2.62 3.96 4.83 0.00 -1.24 -5.03 105.19 111.36 3nix n GLY 225 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.64 5.99 -0.03 1.61 0.02 -1.26 -0.94 114.94 118.69 3nix s ASN 226 Ca 0.00 0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 51.97 3nix s ASN 226 Cb 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 41.25 39.76 3nix s ASN 226 CO 0.00 -0.50 0.06 -0.89 0.02 0.00 0.00 177.10 175.79 3nix s THR 227 N -2.35 -0.05 0.06 1.60 2.01 0.79 -0.69 115.64 117.01 3nix s THR 227 Ca 0.45 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 3nix s THR 227 Cb -0.10 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 3nix s THR 227 CO 0.35 0.07 0.80 -0.55 -0.69 0.00 0.00 174.62 174.60 3nix s SER 228 N 0.98 7.27 -0.05 3.53 0.15 -0.14 0.57 113.70 126.00 3nix s SER 228 Ca -0.08 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.09 3nix s SER 228 Cb -0.11 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3nix s SER 228 CO -0.03 0.01 -0.04 -0.69 1.20 0.00 0.00 173.24 173.69 3nix s VAL 229 N -0.11 0.53 -0.02 4.45 1.01 -0.68 -0.61 120.40 124.98 3nix s VAL 229 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3nix s VAL 229 Cb -0.21 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3nix s VAL 229 CO 0.24 0.24 0.02 -0.83 0.00 0.00 0.00 175.10 174.77 3nix s GLY 230 N 1.20 0.13 -0.04 4.51 0.00 -0.93 -2.28 107.32 109.91 3nix s GLY 230 Ca -0.07 0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.72 3nix s GLY 230 CO -0.02 0.57 0.44 -1.36 0.00 0.00 0.00 173.10 172.73 3nix s PHE 231 N 0.91 3.65 -0.04 1.90 0.40 -0.11 -0.38 117.98 124.31 3nix s PHE 231 Ca -0.08 0.97 -0.01 0.00 -0.60 0.00 0.00 56.93 57.21 3nix s PHE 231 Cb -0.11 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 41.05 3nix s PHE 231 CO -0.02 0.46 0.07 0.08 0.70 0.00 0.00 175.22 176.51 3nix s VAL 232 N -0.43 -0.07 -3.61 -0.44 1.01 0.24 -1.80 120.40 115.29 3nix s VAL 232 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3nix s VAL 232 Cb -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3nix s VAL 232 CO 0.12 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3nix n GLY 233 N 4.39 -0.55 3.69 4.51 0.00 -0.35 -0.32 105.19 116.56 3nix n GLY 233 Ca -0.23 -0.76 -0.56 0.00 0.00 0.00 0.00 46.02 44.46 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 1.19 -0.21 1.61 1.02 -0.86 -0.57 120.64 122.82 3nix n GLU 234 Ca 0.00 0.43 -0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3nix n GLU 234 Cb 0.00 -2.12 0.07 0.00 -0.02 0.00 0.00 31.44 29.37 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 6.81 0.01 -0.95 3.49 0.11 -1.89 -1.54 132.00 138.04 3nix h PRO 235 Ca -0.47 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.89 3nix h PRO 235 Cb 1.32 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 3nix h PRO 235 CO 0.93 0.01 0.65 0.66 -0.21 0.00 0.00 178.00 180.03 3nix h SER 236 N 0.01 0.27 -0.78 -2.05 4.64 -1.98 0.21 113.55 113.89 3nix h SER 236 Ca 0.31 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 3nix h SER 236 Cb 0.47 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3nix h SER 236 CO -0.63 0.09 0.36 0.22 -0.87 0.00 0.00 176.83 176.00 3nix h TYR 237 N 0.26 1.13 -0.16 4.77 3.20 -1.65 -2.87 116.97 121.66 3nix h TYR 237 Ca 0.49 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.22 3nix h TYR 237 Cb 1.48 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3nix h TYR 237 CO -0.00 0.84 -0.27 0.74 -1.64 0.00 0.00 178.16 177.82 3nix h PHE 238 N 1.10 0.32 -0.10 -3.82 -1.00 -0.63 -1.19 116.94 111.63 3nix h PHE 238 Ca 0.27 -0.06 0.03 0.00 2.81 0.00 0.00 57.97 61.01 3nix h PHE 238 Cb 0.14 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 3nix h PHE 238 CO 0.01 0.54 0.14 -0.44 -1.61 0.00 0.00 178.31 176.95 3nix h ASP 239 N 0.26 0.00 0.97 2.17 3.32 -1.25 -2.66 116.42 119.23 3nix h ASP 239 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3nix h ASP 239 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3nix h ASP 239 CO 0.05 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.24 3nix h GLU 240 N 0.00 0.00 -6.06 3.56 5.08 -1.21 -3.42 114.58 112.53 3nix h GLU 240 Ca 0.05 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.86 3nix h GLU 240 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3nix h GLU 240 CO -0.00 0.00 -0.47 0.71 -1.00 0.00 0.00 179.01 178.25 3nix s TYR 241 N -3.47 3.46 0.16 4.33 2.02 -1.00 -5.11 117.35 117.73 3nix s TYR 241 Ca 0.03 0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.89 3nix s TYR 241 Cb 0.09 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3nix s TYR 241 CO 0.49 0.51 -0.11 -0.08 -1.57 0.00 0.00 175.55 174.79 3nix s THR 242 N -1.75 1.29 0.00 -0.71 -1.32 -1.26 -5.01 115.64 106.89 3nix s THR 242 Ca 0.34 -2.09 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 3nix s THR 242 Cb -0.11 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 3nix s THR 242 CO 0.28 -0.71 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 3nix n GLY 243 N -0.23 0.49 3.88 6.08 0.00 -1.26 -4.20 105.19 109.95 3nix n GLY 243 Ca -0.10 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3nix n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nix s THR 244 N 0.00 4.91 0.29 2.61 -1.32 -1.26 -4.83 115.64 116.04 3nix s THR 244 Ca 0.00 0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.89 3nix s THR 244 Cb 0.00 -3.69 0.32 0.00 -1.51 0.00 0.00 72.50 67.62 3nix s THR 244 CO 0.00 -0.30 1.64 -0.65 -2.21 0.00 0.00 174.62 173.09 3nix h PRO 245 N 1.83 0.17 -0.42 7.08 0.11 -1.95 0.41 132.00 139.23 3nix h PRO 245 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3nix h PRO 245 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3nix h PRO 245 CO 0.66 0.11 -0.12 1.49 -0.21 0.00 0.00 178.00 179.93 3nix h GLU 246 N 0.18 0.76 0.06 1.05 4.81 -1.93 -3.15 114.58 116.35 3nix h GLU 246 Ca 0.57 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3nix h GLU 246 Cb 1.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3nix h GLU 246 CO -0.69 0.85 -0.03 0.93 -0.73 0.00 0.00 179.01 179.34 3nix h GLU 247 N 0.68 -0.08 0.00 1.92 5.08 -0.73 0.04 114.58 121.50 3nix h GLU 247 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3nix h GLU 247 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3nix h GLU 247 CO 0.04 0.36 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 3nix n ARG 248 N -4.91 0.00 0.00 2.33 1.74 0.76 -1.03 116.66 115.56 3nix n ARG 248 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3nix n ARG 248 Cb 0.25 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 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 0.28 0.00 -0.32 5.56 1.74 0.00 -4.67 116.66 119.25 3nix n ARG 250 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3nix n ARG 250 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 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 3.24 0.00 7.54 0.00 -0.20 -2.83 120.51 128.26 3nix n ALA 251 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3nix n ALA 251 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.08 0.00 -0.09 0.00 5.41 -1.26 -1.42 119.36 122.08 3nix n ILE 253 Ca 0.14 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.75 3nix n ILE 253 Cb 0.74 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.63 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 0.45 0.00 -1.39 0.00 -1.85 -3.03 119.26 113.45 3nix h ALA 254 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3nix h ALA 254 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3nix h ALA 254 CO 0.00 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.92 3nix n ASN 255 N -4.12 0.59 -3.73 0.00 4.13 -0.51 -4.61 115.26 107.01 3nix n ASN 255 Ca -0.04 -1.26 -0.26 0.00 1.68 0.00 0.00 54.58 54.70 3nix n ASN 255 Cb 0.56 -0.30 -0.17 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.06 0.60 0.39 3.52 2.56 -1.15 -5.02 118.70 118.54 3nix s GLU 256 Ca 0.00 -0.26 0.27 0.00 0.00 0.00 0.00 54.97 54.98 3nix s GLU 256 Cb 0.00 -1.81 1.38 0.00 2.00 0.00 0.00 34.13 35.70 3nix s GLU 256 CO 0.00 -0.56 1.83 0.78 -0.56 0.00 0.00 175.26 176.75 3nix h GLY 257 N 8.28 0.00 1.77 -1.50 0.00 -1.86 -0.85 103.07 108.91 3nix h GLY 257 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3nix h GLY 257 CO 0.31 0.00 -0.65 0.84 0.00 0.00 0.00 176.54 177.04 3nix h HIS 258 N 0.00 0.00 0.00 5.60 6.17 -1.93 -3.39 115.15 121.60 3nix h HIS 258 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3nix h HIS 258 Cb 0.13 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.06 3nix h HIS 258 CO 0.00 0.45 -0.44 0.44 0.71 0.00 0.00 177.93 179.09 3nix n ILE 259 N -3.13 0.00 -0.20 6.26 -5.35 -0.88 -4.85 119.36 111.22 3nix n ILE 259 Ca -0.00 -0.17 -0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3nix n ILE 259 Cb 0.73 0.66 0.08 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.51 0.00 -1.28 0.00 -1.19 0.38 119.26 117.69 3nix h ALA 260 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3nix h ALA 260 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3nix h ALA 260 CO 0.00 -0.41 -0.12 -1.91 0.00 0.00 0.00 179.25 176.81 3nix n GLU 261 N -5.33 0.22 0.11 0.00 4.07 -1.26 -1.84 120.64 116.61 3nix n GLU 261 Ca 0.08 0.15 -0.18 0.00 -0.06 0.00 0.00 57.16 57.15 3nix n GLU 261 Cb 0.33 -1.73 -0.15 0.00 -0.06 0.00 0.00 31.44 29.84 3nix n GLU 261 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3nix h ARG 262 N 0.00 0.35 -0.08 5.31 2.43 -1.28 -3.37 114.38 117.74 3nix h ARG 262 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3nix h ARG 262 Cb 0.69 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3nix h ARG 262 CO 0.00 1.28 0.00 1.19 -1.51 0.00 0.00 179.97 180.93 3nix n PHE 263 N -3.58 0.09 -1.74 2.20 3.72 -0.80 -4.51 117.46 112.84 3nix n PHE 263 Ca -0.11 -0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 3nix n PHE 263 Cb 1.05 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 3nix n PHE 263 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3nix s LYS 264 N -0.71 4.15 0.00 -1.08 2.20 -0.77 -2.94 119.74 120.60 3nix s LYS 264 Ca 0.10 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 3nix s LYS 264 Cb 0.06 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 3nix s LYS 264 CO 0.09 -0.91 0.00 0.43 -0.36 0.00 0.00 175.35 174.60 3nix n SER 265 N 7.01 0.00 -4.77 1.43 7.64 -1.26 -5.00 113.62 118.67 3nix n SER 265 Ca 0.19 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.74 3nix n SER 265 Cb 0.41 -0.31 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.04 2.72 0.39 1.43 0.41 -1.15 -4.99 118.70 117.46 3nix s GLU 266 Ca 0.00 1.35 -0.24 0.00 -0.41 0.00 0.00 54.97 55.67 3nix s GLU 266 Cb 0.00 -1.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 3nix s GLU 266 CO 0.00 -1.31 1.01 -2.00 -0.49 0.00 0.00 175.26 172.47 3nix s GLU 267 N -4.23 4.24 -0.22 1.61 2.12 -1.26 -4.87 118.70 116.09 3nix s GLU 267 Ca 0.66 1.41 -0.09 0.00 0.36 0.00 0.00 54.97 57.31 3nix s GLU 267 Cb -0.20 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 3nix s GLU 267 CO 0.44 -0.05 0.11 -0.06 -0.54 0.00 0.00 175.26 175.16 3nix s PHE 268 N -1.74 3.27 0.38 5.30 0.08 -1.26 -1.12 117.98 122.89 3nix s PHE 268 Ca 0.57 0.10 0.34 0.00 0.12 0.00 0.00 56.93 58.06 3nix s PHE 268 Cb -0.19 -2.18 1.69 0.00 -0.57 0.00 0.00 43.02 41.76 3nix s PHE 268 CO 0.24 0.06 2.12 -0.07 -0.10 0.00 0.00 175.22 177.48 3nix h LEU 269 N 7.22 0.00 -7.00 -0.37 -0.00 -1.78 -3.45 115.31 109.94 3nix h LEU 269 Ca -0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 3nix h LEU 269 Cb 1.17 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.65 3nix h LEU 269 CO 0.67 0.05 0.27 0.72 -0.00 0.00 0.00 178.44 180.16 3nix s PHE 270 N -4.01 -0.56 0.17 1.13 -0.71 -1.26 -5.01 117.98 107.73 3nix s PHE 270 Ca -0.02 0.77 -0.34 0.00 -1.04 0.00 0.00 56.93 56.31 3nix s PHE 270 Cb 0.12 0.47 -0.14 0.00 -1.21 0.00 0.00 43.02 42.25 3nix s PHE 270 CO 0.53 -0.63 1.48 -1.91 -1.34 0.00 0.00 175.22 173.35 3nix n GLU 271 N 0.45 1.94 -1.63 1.99 2.13 -1.26 -4.68 120.64 119.57 3nix n GLU 271 Ca -0.16 0.70 -0.48 0.00 0.66 0.00 0.00 57.16 57.87 3nix n GLU 271 Cb 0.60 -2.41 -0.05 0.00 0.27 0.00 0.00 31.44 29.85 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 2.86 1.61 -4.07 5.31 -0.02 -1.26 -4.94 135.00 134.50 3nix n PRO 272 Ca 0.16 0.58 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 3nix n PRO 272 Cb 0.28 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.37 2.93 -0.07 -0.52 0.52 -0.50 -4.83 118.95 116.84 3nix s ARG 273 Ca 0.78 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 55.22 3nix s ARG 273 Cb -0.80 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 3nix s ARG 273 CO 0.45 0.50 -0.21 0.99 0.02 0.00 0.00 175.30 177.05 3nix s THR 274 N -1.69 2.42 -0.09 0.02 2.01 -1.26 -2.26 115.64 114.79 3nix s THR 274 Ca 0.31 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.37 3nix s THR 274 Cb -0.10 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.51 3nix s THR 274 CO 0.23 0.57 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.04 3nix s ILE 275 N -0.21 0.83 0.11 1.82 1.01 -0.93 -4.99 121.20 118.84 3nix s ILE 275 Ca -0.01 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3nix s ILE 275 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3nix s ILE 275 CO 0.03 0.33 -0.19 -0.70 0.00 0.00 0.00 174.94 174.41 3nix s GLU 276 N 1.65 1.09 -1.11 2.79 2.12 -1.26 -0.96 118.70 123.02 3nix s GLU 276 Ca 0.02 -1.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.15 3nix s GLU 276 Cb -0.13 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 33.01 3nix s GLU 276 CO -0.06 0.28 0.95 0.41 -0.54 0.00 0.00 175.26 176.30 3nix n GLY 277 N 0.95 -0.31 0.03 -1.50 0.00 -0.75 -4.91 105.19 98.70 3nix n GLY 277 Ca -0.18 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.13 0.29 -2.42 1.61 0.18 -1.26 -4.84 117.16 106.58 3nix n TYR 278 Ca -0.15 0.08 -0.39 0.00 1.88 0.00 0.00 57.90 59.32 3nix n TYR 278 Cb 0.61 -0.45 -0.03 0.00 -0.38 0.00 0.00 39.34 39.08 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 -3.12 3.27 -0.29 -3.48 0.00 -1.26 -4.73 121.76 112.15 3nix s ALA 279 Ca 0.07 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3nix s ALA 279 Cb 0.15 -3.34 0.19 0.00 0.00 0.00 0.00 23.12 20.12 3nix s ALA 279 CO 0.74 -0.30 1.39 -1.50 0.00 0.00 0.00 175.76 176.09 3nix s ILE 280 N -1.34 0.00 0.35 0.00 1.10 -1.10 -4.51 121.20 115.70 3nix s ILE 280 Ca 0.51 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.69 3nix s ILE 280 Cb -0.30 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.28 3nix s ILE 280 CO 0.38 0.00 0.17 -0.55 -2.11 0.00 0.00 174.94 172.83 3nix s SER 281 N -0.60 2.07 0.06 4.50 0.15 -0.83 -1.64 113.70 117.40 3nix s SER 281 Ca 0.08 -1.64 0.08 0.00 0.70 0.00 0.00 55.95 55.18 3nix s SER 281 Cb -0.03 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3nix s SER 281 CO -0.11 -0.93 -0.23 0.00 1.20 0.00 0.00 173.24 173.17 3nix s ALA 282 N -3.41 1.94 0.06 5.45 0.00 -1.20 -0.07 121.76 124.53 3nix s ALA 282 Ca 0.32 -1.17 0.17 0.00 0.00 0.00 0.00 51.96 51.28 3nix s ALA 282 Cb 0.04 -0.37 0.46 0.00 0.00 0.00 0.00 23.12 23.25 3nix s ALA 282 CO 0.18 0.44 1.63 0.66 0.00 0.00 0.00 175.76 178.67 3nix h SER 283 N 4.66 0.00 -4.84 0.00 4.64 -0.83 -3.45 113.55 113.74 3nix h SER 283 Ca -0.45 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 3nix h SER 283 Cb 1.16 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.04 3nix h SER 283 CO 0.43 0.43 -0.36 -1.59 -0.87 0.00 0.00 176.83 174.87 3nix s LYS 284 N -3.36 0.57 0.00 4.77 -2.85 -1.26 -5.06 119.74 112.55 3nix s LYS 284 Ca 0.01 -0.18 0.25 0.00 -1.00 0.00 0.00 55.97 55.05 3nix s LYS 284 Cb 0.10 0.25 0.51 0.00 -2.06 0.00 0.00 37.83 36.63 3nix s LYS 284 CO 0.71 -0.14 1.41 1.28 0.10 0.00 0.00 175.35 178.71 3nix n LEU 285 N 1.54 0.91 -3.58 2.77 4.32 -1.26 -4.93 117.00 116.77 3nix n LEU 285 Ca -0.21 -0.23 -0.08 0.00 -0.02 0.00 0.00 56.01 55.47 3nix n LEU 285 Cb 0.56 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 42.19 3nix n LEU 285 CO 0.21 0.19 0.59 -0.72 -1.22 0.00 0.00 177.39 176.44 3nix s TYR 286 N -2.73 -0.33 0.08 -1.77 1.13 -1.26 -1.44 117.35 111.03 3nix s TYR 286 Ca 0.17 0.09 -0.02 0.00 -1.41 0.00 0.00 57.07 55.90 3nix s TYR 286 Cb 0.18 0.59 0.01 0.00 -1.10 0.00 0.00 41.96 41.64 3nix s TYR 286 CO 0.62 -0.78 0.15 0.41 -2.51 0.00 0.00 175.55 173.44 3nix n GLY 287 N -0.36 2.03 3.68 5.49 0.00 -0.63 -5.02 105.19 110.39 3nix n GLY 287 Ca -0.10 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.31 3.74 0.00 1.61 8.00 -1.26 -2.32 116.55 125.00 3nix n ASP 288 Ca -0.01 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3nix n ASP 288 Cb 0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 4.09 0.63 3.46 0.44 0.00 -1.26 -4.76 105.19 107.79 3nix n GLY 289 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.57 -0.56 0.04 1.61 -0.71 -0.98 -0.46 117.98 114.35 3nix s PHE 290 Ca 0.00 1.09 0.09 0.00 -1.04 0.00 0.00 56.93 57.08 3nix s PHE 290 Cb 0.00 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 3nix s PHE 290 CO 0.00 -0.48 -0.26 0.54 -1.34 0.00 0.00 175.22 173.68 3nix s VAL 291 N -0.77 2.18 0.16 -2.49 0.11 -1.03 -1.60 120.40 116.95 3nix s VAL 291 Ca -0.08 -1.36 -0.15 0.00 -2.93 0.00 0.00 61.98 57.45 3nix s VAL 291 Cb -0.02 -1.84 -0.07 0.00 -1.53 0.00 0.00 36.38 32.91 3nix s VAL 291 CO 0.06 0.38 0.57 -0.76 -3.33 0.00 0.00 175.10 172.02 3nix s LEU 292 N -1.22 4.34 0.25 2.54 1.43 -0.52 -1.00 118.68 124.50 3nix s LEU 292 Ca 0.12 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.37 3nix s LEU 292 Cb -0.10 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3nix s LEU 292 CO 0.02 0.09 0.01 0.42 0.23 0.00 0.00 176.35 177.12 3nix s THR 293 N -1.47 1.08 0.00 5.49 -4.23 -0.77 -4.87 115.64 110.87 3nix s THR 293 Ca 0.38 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3nix s THR 293 Cb -0.15 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3nix s THR 293 CO 0.19 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3nix n GLY 294 N -0.48 1.69 0.00 3.99 0.00 -1.26 -0.73 105.19 108.40 3nix n GLY 294 Ca -0.04 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.01 0.00 -0.02 1.61 4.13 -1.26 -0.75 115.26 117.96 3nix n ASN 295 Ca 0.00 -0.40 0.14 0.00 1.68 0.00 0.00 54.58 56.00 3nix n ASN 295 Cb 0.00 0.00 0.68 0.00 -1.54 0.00 0.00 39.78 38.92 3nix n ASN 295 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nix n ALA 296 N -0.99 2.55 -2.00 5.41 0.00 0.09 -4.49 120.51 121.09 3nix n ALA 296 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3nix n ALA 296 Cb 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.29 0.00 -3.78 0.00 -1.04 0.07 -4.75 114.28 103.50 3nix n THR 297 Ca 0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.00 3nix n THR 297 Cb 0.28 -0.31 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 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 0.13 0.10 -0.13 -2.82 2.12 -1.20 -3.26 118.70 113.64 3nix s GLU 298 Ca 0.00 0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 3nix s GLU 298 Cb 0.00 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 3nix s GLU 298 CO 0.00 -0.11 -0.03 0.12 -0.54 0.00 0.00 175.26 174.70 3nix s PHE 299 N 0.76 3.05 -0.03 5.30 5.36 -0.65 -4.74 117.98 127.02 3nix s PHE 299 Ca -0.06 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 55.77 3nix s PHE 299 Cb -0.08 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.71 3nix s PHE 299 CO -0.04 0.15 -0.05 1.28 -1.46 0.00 0.00 175.22 175.11 3nix n LEU 300 N 2.99 0.42 -3.56 6.12 4.77 -1.26 -2.70 117.00 123.77 3nix n LEU 300 Ca -0.18 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3nix n LEU 300 Cb 0.53 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3nix n LEU 300 CO 0.31 -0.49 0.86 -0.62 -1.33 0.00 0.00 177.39 176.12 3nix s ASP 301 N -4.10 -0.26 0.32 -1.43 2.15 -1.26 -4.56 116.67 107.53 3nix s ASP 301 Ca -0.04 0.10 0.09 0.00 0.43 0.00 0.00 52.55 53.13 3nix s ASP 301 Cb 0.01 0.25 0.54 0.00 -0.30 0.00 0.00 42.92 43.41 3nix s ASP 301 CO 0.06 -0.37 1.74 -0.65 -0.17 0.00 0.00 175.17 175.78 3nix h PRO 302 N 2.14 0.16 -6.68 4.34 0.11 -2.01 -3.44 132.00 126.63 3nix h PRO 302 Ca -0.15 -0.07 -0.58 0.00 0.11 0.00 0.00 66.00 65.31 3nix h PRO 302 Cb 1.19 -0.00 0.17 0.00 0.11 0.00 0.00 31.00 32.47 3nix h PRO 302 CO 0.27 0.54 -0.13 0.44 -0.21 0.00 0.00 178.00 178.91 3nix n ILE 303 N -4.04 3.04 -0.81 4.15 -6.64 -1.26 -0.83 119.36 112.97 3nix n ILE 303 Ca -0.02 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.46 3nix n ILE 303 Cb 0.46 -0.92 0.00 0.00 -1.44 0.00 0.00 39.64 37.74 3nix n ILE 303 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 3nix n PHE 304 N -1.75 0.00 -4.08 4.28 3.72 -1.26 -4.42 117.46 113.95 3nix n PHE 304 Ca 0.13 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.08 3nix n PHE 304 Cb 0.48 -1.34 0.02 0.00 -0.94 0.00 0.00 39.48 37.69 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 -0.39 -3.74 -0.00 4.37 7.64 -0.01 -4.87 113.62 116.63 3nix n SER 305 Ca 0.00 -1.24 0.05 0.00 1.01 0.00 0.00 58.87 58.69 3nix n SER 305 Cb 0.19 -1.48 -0.07 0.00 -1.01 0.00 0.00 64.21 61.85 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 -1.95 1.05 -0.14 6.43 3.41 -1.26 -4.52 113.62 116.64 3nix n SER 306 Ca -0.11 -0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 57.89 3nix n SER 306 Cb 0.53 1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 65.60 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 2.33 -0.25 1.46 5.00 0.00 -1.89 0.29 103.07 110.02 3nix h GLY 307 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3nix h GLY 307 CO 0.00 -0.20 0.19 0.00 0.00 0.00 0.00 176.54 176.53 3nix h ALA 308 N 0.78 1.43 -0.37 3.60 0.00 -1.88 0.01 119.26 122.83 3nix h ALA 308 Ca 0.18 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3nix h ALA 308 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nix h ALA 308 CO -0.58 0.44 -0.33 1.15 0.00 0.00 0.00 179.25 179.93 3nix h THR 309 N 0.69 1.28 -0.25 0.00 2.02 -1.44 -2.71 112.91 112.49 3nix h THR 309 Ca 0.17 -1.49 -0.12 0.00 0.77 0.00 0.00 66.41 65.74 3nix h THR 309 Cb 0.14 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3nix h THR 309 CO -0.02 0.49 -0.33 -0.26 0.37 0.00 0.00 175.52 175.77 3nix h PHE 310 N 0.69 0.63 0.00 3.16 0.04 -0.30 -1.79 116.94 119.37 3nix h PHE 310 Ca 0.07 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3nix h PHE 310 Cb 0.88 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.89 3nix h PHE 310 CO 0.05 0.81 0.00 0.00 -0.60 0.00 0.00 178.31 178.57 3nix n ALA 311 N -2.49 1.01 0.00 2.45 0.00 -0.07 -0.89 120.51 120.51 3nix n ALA 311 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3nix n ALA 311 Cb 0.47 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.12 0.00 0.14 0.00 4.07 -0.68 -0.82 120.64 123.48 3nix n GLU 313 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3nix n GLU 313 Cb 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.54 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 0.38 4.31 4.64 -1.28 -0.76 113.55 120.83 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 0.59 -0.58 1.23 -0.87 0.00 0.00 176.83 177.20 3nix h GLY 315 N 2.32 0.23 0.27 -0.77 0.00 -1.19 0.17 103.07 104.09 3nix h GLY 315 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3nix h GLY 315 CO 0.08 0.24 -0.00 0.23 0.00 0.00 0.00 176.54 177.09 3nix h SER 316 N 0.16 -0.01 -0.34 0.19 0.87 -1.67 -1.27 113.55 111.48 3nix h SER 316 Ca -0.00 -0.71 -0.03 0.00 -1.23 0.00 0.00 61.79 59.81 3nix h SER 316 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 3nix h SER 316 CO 0.09 0.72 0.09 0.11 -0.53 0.00 0.00 176.83 177.30 3nix h LYS 317 N -0.74 0.54 -0.44 2.24 1.79 -1.18 -1.31 116.57 117.47 3nix h LYS 317 Ca -0.00 -0.13 0.08 0.00 -2.18 0.00 0.00 60.65 58.42 3nix h LYS 317 Cb 0.72 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.23 3nix h LYS 317 CO 0.00 0.59 0.02 0.78 -1.08 0.00 0.00 179.45 179.76 3nix h GLY 318 N 0.40 0.46 0.94 3.86 0.00 -0.71 0.48 103.07 108.51 3nix h GLY 318 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3nix h GLY 318 CO 0.00 -0.10 0.16 -1.33 0.00 0.00 0.00 176.54 175.27 3nix h GLY 319 N 0.13 0.56 0.99 4.60 0.00 -1.11 -0.52 103.07 107.72 3nix h GLY 319 Ca 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3nix h GLY 319 CO -0.35 0.27 0.32 0.50 0.00 0.00 0.00 176.54 177.28 3nix h LYS 320 N 0.43 0.70 -0.27 4.80 1.57 -0.69 -1.34 116.57 121.77 3nix h LYS 320 Ca 0.12 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3nix h LYS 320 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3nix h LYS 320 CO -0.01 0.50 0.03 -0.07 -0.57 0.00 0.00 179.45 179.33 3nix h LEU 321 N 0.70 0.44 -1.25 2.94 3.38 -0.64 -2.21 115.31 118.67 3nix h LEU 321 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3nix h LEU 321 Cb -0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3nix h LEU 321 CO -0.04 0.61 0.46 0.00 0.09 0.00 0.00 178.44 179.57 3nix h ALA 322 N 0.85 1.44 -0.51 1.53 0.00 -0.97 -0.03 119.26 121.57 3nix h ALA 322 Ca 0.08 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3nix h ALA 322 Cb 0.37 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3nix h ALA 322 CO 0.01 0.50 0.14 0.28 0.00 0.00 0.00 179.25 180.18 3nix h VAL 323 N 0.99 0.77 -0.51 0.00 2.07 -1.03 0.86 116.25 119.39 3nix h VAL 323 Ca 0.26 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 3nix h VAL 323 Cb -0.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3nix h VAL 323 CO -0.05 0.05 0.30 1.56 0.02 0.00 0.00 177.57 179.46 3nix h GLN 324 N 0.29 0.69 -0.01 1.57 4.20 -0.45 -0.89 115.11 120.50 3nix h GLN 324 Ca 0.25 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.92 3nix h GLN 324 Cb 0.31 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3nix h GLN 324 CO -0.29 0.50 -0.16 0.35 -0.67 0.00 0.00 178.83 178.55 3nix h PHE 325 N 0.68 -0.42 -0.35 2.96 3.57 -0.78 -1.89 116.94 120.71 3nix h PHE 325 Ca 0.18 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3nix h PHE 325 Cb -0.01 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3nix h PHE 325 CO -0.03 -0.24 0.24 -0.07 -2.23 0.00 0.00 178.31 175.98 3nix h LEU 326 N -0.26 0.21 -0.20 0.59 3.38 -0.24 0.45 115.31 119.24 3nix h LEU 326 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3nix h LEU 326 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3nix h LEU 326 CO -0.17 0.14 0.00 0.29 0.09 0.00 0.00 178.44 178.80 3nix n LYS 327 N -4.48 0.21 -0.18 1.13 5.02 -0.39 -4.89 118.16 114.58 3nix n LYS 327 Ca 0.04 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3nix n LYS 327 Cb 0.24 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.90 0.90 3.90 0.72 0.00 0.15 -5.08 105.19 106.68 3nix n GLY 328 Ca 0.05 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.59 2.88 0.24 1.61 0.41 -0.76 -5.03 118.70 117.47 3nix s GLU 329 Ca 0.00 0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.51 3nix s GLU 329 Cb 0.00 -2.14 -0.09 0.00 -1.78 0.00 0.00 34.13 30.12 3nix s GLU 329 CO 0.00 -0.88 1.13 -2.00 -0.49 0.00 0.00 175.26 173.01 3nix s GLU 330 N -5.19 4.59 -0.11 1.61 2.56 -1.26 -4.59 118.70 116.31 3nix s GLU 330 Ca 0.56 1.82 0.01 0.00 0.00 0.00 0.00 54.97 57.36 3nix s GLU 330 Cb -0.11 -3.21 0.02 0.00 2.00 0.00 0.00 34.13 32.83 3nix s GLU 330 CO 0.49 0.11 -0.12 0.08 -0.56 0.00 0.00 175.26 175.26 3nix s VAL 331 N -0.75 1.27 -1.07 3.70 1.01 -1.26 -4.92 120.40 118.37 3nix s VAL 331 Ca 0.47 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3nix s VAL 331 Cb -0.32 -1.20 0.25 0.00 0.00 0.00 0.00 36.38 35.10 3nix s VAL 331 CO 0.39 0.40 1.11 0.21 0.00 0.00 0.00 175.10 177.21 3nix s ASN 332 N 1.28 7.16 0.18 3.32 3.84 -1.26 -4.87 114.94 124.59 3nix s ASN 332 Ca -0.02 -3.28 -0.10 0.00 0.21 0.00 0.00 52.86 49.67 3nix s ASN 332 Cb -0.14 -2.25 0.07 0.00 -0.55 0.00 0.00 41.25 38.38 3nix s ASN 332 CO -0.05 -0.44 1.65 -0.50 -2.79 0.00 0.00 177.10 174.97 3nix h TRP 333 N 7.02 1.13 -0.97 0.43 4.06 -1.97 -0.26 115.95 125.39 3nix h TRP 333 Ca 0.19 -0.18 0.06 0.00 2.06 0.00 0.00 58.89 61.02 3nix h TRP 333 Cb 0.91 -0.30 -0.07 0.00 -1.00 0.00 0.00 29.16 28.70 3nix h TRP 333 CO 0.88 0.99 0.62 1.49 -3.56 0.00 0.00 178.44 178.86 3nix h GLU 334 N 0.95 1.10 0.00 0.49 4.57 -1.95 -0.33 114.58 119.41 3nix h GLU 334 Ca 0.18 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3nix h GLU 334 Cb 0.51 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3nix h GLU 334 CO 0.02 0.73 -0.32 -0.22 -1.18 0.00 0.00 179.01 178.04 3nix h LYS 335 N 1.13 0.00 0.00 1.92 3.64 -1.89 0.45 116.57 121.83 3nix h LYS 335 Ca 0.42 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 3nix h LYS 335 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3nix h LYS 335 CO -0.17 0.00 -0.20 -0.44 -2.27 0.00 0.00 179.45 176.37 3nix h ASP 336 N -0.92 0.00 0.00 4.20 5.19 -1.16 -3.07 116.42 120.66 3nix h ASP 336 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3nix h ASP 336 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3nix h ASP 336 CO 0.00 0.20 -0.07 0.33 -3.12 0.00 0.00 179.24 176.58 3nix n PHE 337 N -3.49 0.00 0.19 4.55 7.35 -0.55 -4.59 117.46 120.92 3nix n PHE 337 Ca -0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.57 3nix n PHE 337 Cb 0.36 -0.03 -0.06 0.00 0.35 0.00 0.00 39.48 40.10 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 -0.07 0.00 -0.72 -2.13 2.07 -1.13 -2.95 116.25 111.33 3nix h VAL 338 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3nix h VAL 338 Cb 0.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.71 3nix h VAL 338 CO 0.00 0.00 0.04 -0.33 0.02 0.00 0.00 177.57 177.30 3nix h GLU 339 N -0.64 0.13 -4.97 1.57 5.08 -0.18 -3.41 114.58 112.15 3nix h GLU 339 Ca -0.04 -0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.84 3nix h GLU 339 Cb 0.55 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.80 3nix h GLU 339 CO -0.03 0.09 1.55 1.58 -1.00 0.00 0.00 179.01 181.20 3nix n HIS 340 N -5.30 1.95 0.00 4.33 -0.00 -1.12 -4.72 115.22 110.37 3nix n HIS 340 Ca 0.12 -1.42 0.00 0.00 0.46 0.00 0.00 57.72 56.89 3nix n HIS 340 Cb 0.44 -2.04 0.00 0.00 -0.12 0.00 0.00 29.99 28.28 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 7.70 0.00 -0.03 1.57 -0.06 -1.26 -4.74 117.38 120.56 3nix n GLN 343 Ca 0.47 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 55.35 3nix n GLN 343 Cb 0.43 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.55 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 0.20 1.63 1.69 0.00 -1.85 -2.35 103.07 102.39 3nix h GLY 344 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3nix h GLY 344 CO 0.00 0.12 -0.25 -2.22 0.00 0.00 0.00 176.54 174.19 3nix h ILE 345 N -0.03 1.26 -0.02 2.60 1.08 -1.94 -2.50 117.51 117.96 3nix h ILE 345 Ca 0.03 -1.23 -0.19 0.00 -0.39 0.00 0.00 64.86 63.08 3nix h ILE 345 Cb 0.27 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 3nix h ILE 345 CO 0.00 0.39 -0.82 0.44 -0.69 0.00 0.00 178.15 177.47 3nix h ASP 346 N 0.39 0.36 0.28 1.72 3.32 -1.97 -0.78 116.42 119.73 3nix h ASP 346 Ca 0.06 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3nix h ASP 346 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3nix h ASP 346 CO 0.05 1.03 -0.13 0.74 -1.72 0.00 0.00 179.24 179.21 3nix h THR 347 N 0.17 0.76 -0.59 0.35 2.02 -1.22 -2.28 112.91 112.12 3nix h THR 347 Ca -0.04 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3nix h THR 347 Cb 1.42 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3nix h THR 347 CO 0.13 0.05 0.23 -0.26 0.37 0.00 0.00 175.52 176.04 3nix h PHE 348 N -0.49 0.86 -0.88 3.16 0.04 -1.43 -1.56 116.94 116.63 3nix h PHE 348 Ca -0.04 -0.05 0.14 0.00 2.80 0.00 0.00 57.97 60.83 3nix h PHE 348 Cb 0.37 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.18 3nix h PHE 348 CO -0.03 0.67 0.57 -0.09 -0.60 0.00 0.00 178.31 178.83 3nix h ARG 349 N 0.85 0.66 -0.38 1.51 2.43 -1.02 -0.16 114.38 118.27 3nix h ARG 349 Ca 0.20 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 3nix h ARG 349 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3nix h ARG 349 CO -0.02 0.44 -0.27 0.77 -1.51 0.00 0.00 179.97 179.38 3nix h SER 350 N 0.68 0.81 0.57 -3.80 0.02 -0.69 -2.26 113.55 108.88 3nix h SER 350 Ca 0.44 -0.32 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 3nix h SER 350 Cb 0.72 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3nix h SER 350 CO -0.20 1.04 -0.74 -0.26 -1.14 0.00 0.00 176.83 175.53 3nix h PHE 351 N 0.68 0.19 -0.12 3.45 -1.00 -0.94 -1.04 116.94 118.16 3nix h PHE 351 Ca 0.08 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3nix h PHE 351 Cb 0.80 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 3nix h PHE 351 CO 0.04 0.83 -0.00 0.28 -1.61 0.00 0.00 178.31 177.85 3nix h VAL 352 N 0.09 1.26 -0.33 -0.55 2.07 -0.99 0.38 116.25 118.18 3nix h VAL 352 Ca -0.02 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3nix h VAL 352 Cb 1.31 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 3nix h VAL 352 CO 0.11 0.24 -0.12 0.74 0.02 0.00 0.00 177.57 178.56 3nix h THR 353 N -0.07 0.59 -0.28 2.57 2.02 -1.36 0.13 112.91 116.51 3nix h THR 353 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3nix h THR 353 Cb 0.37 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3nix h THR 353 CO 0.01 0.00 0.18 1.23 0.37 0.00 0.00 175.52 177.31 3nix h GLY 354 N -0.05 0.39 1.26 2.16 0.00 -1.05 -0.76 103.07 105.02 3nix h GLY 354 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3nix h GLY 354 CO -0.37 0.14 0.35 -0.25 0.00 0.00 0.00 176.54 176.41 3nix h TRP 355 N 0.38 0.95 0.00 5.60 2.91 0.24 -1.78 115.95 124.24 3nix h TRP 355 Ca 0.10 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 3nix h TRP 355 Cb -0.04 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.30 3nix h TRP 355 CO 0.00 0.68 -1.69 0.66 -1.03 0.00 0.00 178.44 177.06 3nix n TYR 356 N -4.35 0.31 0.19 2.65 4.01 -0.51 -4.27 117.16 115.19 3nix n TYR 356 Ca 0.07 0.09 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 3nix n TYR 356 Cb 0.12 -0.65 0.27 0.00 -0.31 0.00 0.00 39.34 38.77 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 -2.39 3.23 0.00 7.72 5.68 -0.41 -4.79 116.55 125.59 3nix n ASP 357 Ca -0.03 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3nix n ASP 357 Cb 0.57 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 1.47 3.10 0.29 6.12 0.00 -1.25 -4.91 105.19 110.00 3nix n GLY 358 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 1.25 -0.51 2.61 1.35 -1.90 -2.82 112.91 112.90 3nix h THR 359 Ca 0.00 -0.86 -0.08 0.00 -0.55 0.00 0.00 66.41 64.92 3nix h THR 359 Cb 0.00 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 3nix h THR 359 CO 0.00 0.33 0.02 0.25 -0.25 0.00 0.00 175.52 175.86 3nix h LEU 360 N 0.90 0.86 -1.17 3.87 5.85 -1.62 -2.70 115.31 121.30 3nix h LEU 360 Ca 0.20 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3nix h LEU 360 Cb 0.31 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3nix h LEU 360 CO -0.00 0.95 0.57 0.45 -0.34 0.00 0.00 178.44 180.07 3nix h HIS 361 N 0.75 1.04 -0.15 1.25 3.86 -1.74 0.24 115.15 120.40 3nix h HIS 361 Ca 0.15 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 3nix h HIS 361 Cb 0.50 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3nix h HIS 361 CO 0.04 0.60 -0.22 0.00 0.86 0.00 0.00 177.93 179.21 3nix h ALA 362 N 1.50 1.35 -0.00 2.45 0.00 -1.22 0.18 119.26 123.51 3nix h ALA 362 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3nix h ALA 362 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nix h ALA 362 CO -0.10 0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.80 3nix h VAL 363 N 0.24 1.58 -0.62 0.00 2.07 -1.18 -2.69 116.25 115.65 3nix h VAL 363 Ca 0.04 -1.80 0.08 0.00 0.82 0.00 0.00 66.70 65.84 3nix h VAL 363 Cb 0.53 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 3nix h VAL 363 CO 0.04 0.48 0.29 -0.26 0.02 0.00 0.00 177.57 178.13 3nix h PHE 364 N -0.66 0.52 -0.31 1.57 -1.00 -0.30 -3.06 116.94 113.70 3nix h PHE 364 Ca -0.01 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3nix h PHE 364 Cb 0.82 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3nix h PHE 364 CO 0.18 0.20 0.01 1.19 -1.61 0.00 0.00 178.31 178.28 3nix n PHE 365 N -4.90 1.11 -1.99 -0.55 3.72 0.61 -4.66 117.46 110.79 3nix n PHE 365 Ca 0.08 -0.90 -0.37 0.00 -0.05 0.00 0.00 57.45 56.21 3nix n PHE 365 Cb 0.22 -0.35 0.03 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.85 2.70 0.31 4.37 0.00 -1.01 -4.98 121.76 120.30 3nix s ALA 366 Ca 0.44 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 3nix s ALA 366 Cb 0.36 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3nix s ALA 366 CO 0.09 -1.13 1.09 0.21 0.00 0.00 0.00 175.76 176.03 3nix s LYS 367 N -3.08 4.51 -1.19 0.00 2.20 -1.26 -3.56 119.74 117.36 3nix s LYS 367 Ca 0.73 1.75 -0.21 0.00 -0.36 0.00 0.00 55.97 57.88 3nix s LYS 367 Cb -0.33 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3nix s LYS 367 CO 0.37 0.11 0.71 0.09 -0.36 0.00 0.00 175.35 176.28 3nix n ASN 368 N 0.88 -4.35 -4.76 1.43 3.02 -1.26 -4.85 115.26 105.36 3nix n ASN 368 Ca 0.00 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 53.08 3nix n ASN 368 Cb 0.46 -2.95 0.01 0.00 -0.61 0.00 0.00 39.78 36.69 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 -6.39 3.66 0.12 3.52 0.04 -1.23 -4.88 135.00 129.84 3nix s PRO 369 Ca 0.41 2.29 -0.31 0.00 0.04 0.00 0.00 61.00 63.43 3nix s PRO 369 Cb -0.17 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 3nix s PRO 369 CO 0.89 -0.79 1.68 0.34 0.04 0.00 0.00 177.00 179.17 3nix s ASP 370 N -0.68 6.54 0.50 6.66 -1.08 -1.26 -4.89 116.67 122.45 3nix s ASP 370 Ca 0.62 2.61 0.29 0.00 -0.52 0.00 0.00 52.55 55.55 3nix s ASP 370 Cb -0.41 -2.57 1.18 0.00 -1.46 0.00 0.00 42.92 39.66 3nix s ASP 370 CO 0.52 -0.91 1.93 1.55 0.52 0.00 0.00 175.17 178.78 3nix h PRO 371 N 7.92 0.00 0.00 4.34 0.13 -1.99 -2.23 132.00 140.18 3nix h PRO 371 Ca -0.43 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.43 3nix h PRO 371 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 3nix h PRO 371 CO 0.93 0.12 -1.04 -0.44 -0.23 0.00 0.00 178.00 177.34 3nix h ASP 372 N 0.00 0.88 -0.46 1.44 3.32 -2.00 -2.83 116.42 116.77 3nix h ASP 372 Ca -0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.29 3nix h ASP 372 Cb 0.60 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3nix h ASP 372 CO 0.02 1.51 0.10 0.45 -1.72 0.00 0.00 179.24 179.59 3nix h HIS 373 N 0.38 0.83 -0.42 4.55 3.86 -1.88 -2.94 115.15 119.53 3nix h HIS 373 Ca -0.13 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3nix h HIS 373 Cb 1.69 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.90 3nix h HIS 373 CO 0.10 0.72 0.27 -0.22 0.86 0.00 0.00 177.93 179.66 3nix h LYS 374 N 0.77 0.54 -0.63 2.45 1.63 -1.39 -0.73 116.57 119.21 3nix h LYS 374 Ca 0.17 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3nix h LYS 374 Cb 0.32 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3nix h LYS 374 CO 0.00 0.36 0.00 0.54 -3.45 0.00 0.00 179.45 176.90 3nix n ARG 375 N -4.80 0.12 0.00 1.90 1.74 -1.07 0.43 116.66 114.98 3nix n ARG 375 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3nix n ARG 375 Cb 0.03 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.59 0.00 -0.21 0.55 5.41 -0.28 -1.70 119.36 123.72 3nix n ILE 377 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 3nix n ILE 377 Cb 0.04 0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.87 0.00 0.26 0.00 0.02 -1.58 -1.14 113.55 111.98 3nix h SER 379 Ca 0.32 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.00 3nix h SER 379 Cb 0.14 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.70 3nix h SER 379 CO -0.10 0.00 -1.13 0.58 -1.14 0.00 0.00 176.83 175.04 3nix h VAL 380 N 0.00 1.35 0.00 2.27 2.07 -1.30 -0.27 116.25 120.38 3nix h VAL 380 Ca 0.00 -2.53 -0.08 0.00 0.82 0.00 0.00 66.70 64.91 3nix h VAL 380 Cb 0.71 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3nix h VAL 380 CO 0.00 0.76 -0.37 -0.07 0.02 0.00 0.00 177.57 177.92 3nix h LEU 381 N 0.24 0.00 -0.06 2.57 3.38 -0.99 -2.28 115.31 118.18 3nix h LEU 381 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3nix h LEU 381 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3nix h LEU 381 CO 0.21 0.37 -0.05 0.00 0.09 0.00 0.00 178.44 179.05 3nix n ALA 382 N -2.26 2.58 -0.39 1.53 0.00 -0.47 -4.81 120.51 116.69 3nix n ALA 382 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3nix n ALA 382 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.31 0.80 2.42 0.00 0.00 -0.86 -0.97 105.19 107.90 3nix n GLY 383 Ca 0.13 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.39 2.09 -0.17 1.61 4.01 -0.12 -4.68 117.16 117.50 3nix n TYR 384 Ca 0.00 -2.52 -0.01 0.00 -0.16 0.00 0.00 57.90 55.22 3nix n TYR 384 Cb 0.00 -1.79 0.21 0.00 -0.31 0.00 0.00 39.34 37.45 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 1.83 1.81 0.42 -0.72 0.24 -1.26 -3.20 118.33 117.44 3nix n VAL 385 Ca 0.60 -0.90 0.05 0.00 -2.04 0.00 0.00 64.34 62.04 3nix n VAL 385 Cb 0.38 -0.45 0.02 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.15 0.00 -2.46 6.34 8.01 -1.26 -4.35 117.44 123.87 3nix n TRP 386 Ca 0.21 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 56.01 3nix n TRP 386 Cb 0.91 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.18 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 -1.11 6.11 0.00 -0.99 -1.08 -1.20 -4.85 116.67 113.56 3nix s ASP 387 Ca 0.10 -0.76 0.12 0.00 -0.52 0.00 0.00 52.55 51.48 3nix s ASP 387 Cb 0.08 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.57 3nix s ASP 387 CO 0.19 -1.85 1.30 0.29 0.52 0.00 0.00 175.17 175.62 3nix n LYS 388 N 9.13 0.15 0.18 4.34 4.76 -1.26 -1.75 118.16 133.71 3nix n LYS 388 Ca 0.19 0.19 0.06 0.00 -2.87 0.00 0.00 58.31 55.89 3nix n LYS 388 Cb 0.50 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.32 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 -3.02 4.39 2.35 -2.00 -3.40 115.58 113.90 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 0.12 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3nix h ASN 389 CO 0.00 0.32 1.06 0.21 -1.65 0.00 0.00 177.43 177.37 3nix s ASN 390 N -6.34 6.45 0.47 5.81 3.84 -0.72 -4.88 114.94 119.57 3nix s ASN 390 Ca 0.04 1.27 0.17 0.00 0.21 0.00 0.00 52.86 54.55 3nix s ASN 390 Cb 0.07 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.39 3nix s ASN 390 CO 0.71 -1.25 2.01 -0.65 -2.79 0.00 0.00 177.10 175.12 3nix h PRO 391 N 10.29 0.24 0.00 0.43 0.11 -1.87 0.18 132.00 141.39 3nix h PRO 391 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3nix h PRO 391 Cb 1.12 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3nix h PRO 391 CO 1.03 0.16 -0.03 0.74 -0.21 0.00 0.00 178.00 179.70 3nix h PHE 392 N 0.25 0.00 0.00 0.65 -1.00 -1.91 0.43 116.94 115.37 3nix h PHE 392 Ca 0.23 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.82 3nix h PHE 392 Cb 0.59 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 3nix h PHE 392 CO -0.00 0.03 -1.04 0.28 -1.61 0.00 0.00 178.31 175.96 3nix h VAL 393 N 0.00 1.07 -0.68 -0.55 2.07 -1.16 -3.20 116.25 113.81 3nix h VAL 393 Ca -0.00 -2.21 0.06 0.00 0.82 0.00 0.00 66.70 65.37 3nix h VAL 393 Cb 0.52 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 3nix h VAL 393 CO 0.00 0.38 0.38 0.50 0.02 0.00 0.00 177.57 178.85 3nix h LYS 394 N -0.98 0.67 -0.50 1.57 1.63 -0.60 -2.98 116.57 115.38 3nix h LYS 394 Ca -0.29 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 59.18 3nix h LYS 394 Cb 1.27 -0.15 -0.18 0.00 -0.60 0.00 0.00 32.23 32.57 3nix h LYS 394 CO -0.17 0.44 -0.02 1.63 -3.45 0.00 0.00 179.45 177.88 3nix n LYS 395 N -4.79 2.12 -0.27 1.90 5.02 0.15 -4.85 118.16 117.44 3nix n LYS 395 Ca 0.09 -3.30 0.01 0.00 -2.02 0.00 0.00 58.31 53.09 3nix n LYS 395 Cb 0.18 -1.94 0.13 0.00 -0.02 0.00 0.00 35.03 33.39 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 1.20 0.81 0.00 2.13 2.07 -1.51 0.53 115.15 120.38 3nix h HIS 396 Ca 0.31 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 3nix h HIS 396 Cb 1.69 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 31.42 3nix h HIS 396 CO 1.11 0.37 0.00 0.27 -3.07 0.00 0.00 177.93 176.61 3nix n ASN 397 N -4.74 0.00 -0.01 3.10 0.23 -1.26 -4.02 115.26 108.57 3nix n ASN 397 Ca 0.11 -0.51 -0.01 0.00 -0.53 0.00 0.00 54.58 53.64 3nix n ASN 397 Cb 0.22 -0.14 -0.01 0.00 -2.08 0.00 0.00 39.78 37.77 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 -1.14 0.10 -0.29 5.53 -1.04 -0.66 -4.88 114.28 111.91 3nix n THR 398 Ca 0.17 -0.04 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 3nix n THR 398 Cb 0.15 -0.66 0.33 0.00 -1.82 0.00 0.00 70.33 68.33 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 -0.01 0.88 -0.08 12.58 6.09 -0.12 -1.92 117.51 134.95 3nix h ILE 399 Ca -0.04 -0.27 -0.05 0.00 -1.37 0.00 0.00 64.86 63.13 3nix h ILE 399 Cb 1.06 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.37 3nix h ILE 399 CO -0.01 0.15 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.00 3nix h LEU 400 N 0.80 0.26 -0.66 2.19 3.38 -1.82 0.18 115.31 119.65 3nix h LEU 400 Ca 0.45 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3nix h LEU 400 Cb 0.60 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3nix h LEU 400 CO -0.21 0.78 0.31 0.11 0.09 0.00 0.00 178.44 179.51 3nix h LYS 401 N -0.24 0.95 -0.60 1.13 1.57 -1.85 -1.59 116.57 115.94 3nix h LYS 401 Ca 0.00 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3nix h LYS 401 Cb 0.73 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3nix h LYS 401 CO 0.03 0.76 0.39 1.15 -0.57 0.00 0.00 179.45 181.22 3nix h THR 402 N 0.91 1.13 0.00 -0.16 2.02 -1.22 -2.76 112.91 112.83 3nix h THR 402 Ca 0.22 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 3nix h THR 402 Cb 0.13 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3nix h THR 402 CO -0.03 0.14 -0.72 -0.07 0.37 0.00 0.00 175.52 175.21 3nix h LEU 403 N 0.79 0.00 -0.01 2.58 -0.00 -0.43 -2.57 115.31 115.68 3nix h LEU 403 Ca 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.10 3nix h LEU 403 Cb -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.59 3nix h LEU 403 CO -0.06 0.72 -0.00 0.00 -0.00 0.00 0.00 178.44 179.10 3nix h ALA 404 N 1.28 0.02 -0.03 1.53 0.00 -1.11 -1.35 119.26 119.59 3nix h ALA 404 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3nix h ALA 404 Cb 1.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3nix h ALA 404 CO 0.09 -0.31 -0.40 -0.22 0.00 0.00 0.00 179.25 178.41 3nix h LYS 405 N -0.30 -0.52 -0.71 0.00 1.63 -1.50 0.22 116.57 115.39 3nix h LYS 405 Ca 0.00 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.98 3nix h LYS 405 Cb 0.34 0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 31.95 3nix h LYS 405 CO 0.00 -0.35 -0.19 0.28 -3.45 0.00 0.00 179.45 175.75 3nix h VAL 406 N -0.54 0.28 -0.33 2.00 2.07 -1.42 -0.90 116.25 117.41 3nix h VAL 406 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3nix h VAL 406 Cb 0.63 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3nix h VAL 406 CO -0.33 0.00 0.17 0.40 0.02 0.00 0.00 177.57 177.84 3nix h ILE 407 N -0.01 1.00 0.00 4.57 2.04 -0.10 -0.48 117.51 124.53 3nix h ILE 407 Ca 0.34 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3nix h ILE 407 Cb 0.53 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3nix h ILE 407 CO -0.74 0.07 0.00 1.67 0.00 0.00 0.00 178.15 179.15 3nix n GLN 408 N -4.93 0.00 0.00 2.37 7.27 0.66 -2.46 117.38 120.29 3nix n GLN 408 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3nix n GLN 408 Cb 0.07 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3nix n GLN 408 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nix n GLY 410 N 0.91 0.00 0.73 1.69 0.00 -0.19 -5.09 105.19 103.24 3nix n GLY 410 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3nix n GLY 410 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48