#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4m n SER -1 N 0.00 -1.52 -3.74 1.61 7.64 -1.26 -4.39 113.62 111.96 2i4m n SER -1 Ca 0.00 0.99 -0.12 0.00 1.01 0.00 0.00 58.87 60.75 2i4m n SER -1 Cb 0.00 -0.88 -0.13 0.00 -1.01 0.00 0.00 64.21 62.20 2i4m n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2i4m s HIS 0 N -1.08 -0.32 -0.02 1.43 0.00 -1.26 -0.84 115.29 113.19 2i4m s HIS 0 Ca 0.59 0.76 -0.07 0.00 -3.00 0.00 0.00 55.06 53.34 2i4m s HIS 0 Cb -0.81 0.07 0.01 0.00 -4.00 0.00 0.00 32.58 27.84 2i4m s HIS 0 CO 0.54 -0.21 0.15 1.41 -1.00 0.00 0.00 174.74 175.64 2i4m s MET 1 N 0.94 0.38 -0.15 -0.38 0.00 -0.77 -4.99 119.30 114.32 2i4m s MET 1 Ca -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 55.69 55.42 2i4m s MET 1 Cb -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 34.83 34.88 2i4m s MET 1 CO -0.06 -0.08 0.01 1.03 0.00 0.00 0.00 175.02 175.92 2i4m s ARG 2 N -0.82 3.68 0.48 4.11 0.52 -1.26 -0.85 118.95 124.81 2i4m s ARG 2 Ca -0.09 -0.42 0.15 0.00 -0.52 0.00 0.00 55.73 54.84 2i4m s ARG 2 Cb -0.05 -3.02 1.14 0.00 0.52 0.00 0.00 34.95 33.54 2i4m s ARG 2 CO 0.01 0.34 2.07 1.25 0.02 0.00 0.00 175.30 178.99 2i4m h LEU 3 N 6.41 0.19 0.00 2.53 5.85 -1.75 0.36 115.31 128.90 2i4m h LEU 3 Ca -0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2i4m h LEU 3 Cb 1.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2i4m h LEU 3 CO 0.64 0.13 0.00 -1.54 -0.34 0.00 0.00 178.44 177.33 2i4m n SER 4 N -4.49 0.00 -0.06 1.25 3.41 -1.26 -2.29 113.62 110.18 2i4m n SER 4 Ca 0.03 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.75 2i4m n SER 4 Cb 0.21 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2i4m n SER 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2i4m n ARG 5 N -1.29 0.49 -2.02 4.33 1.74 0.12 -5.02 116.66 115.01 2i4m n ARG 5 Ca 0.06 -0.51 -0.09 0.00 -0.77 0.00 0.00 57.85 56.55 2i4m n ARG 5 Cb 0.11 -0.96 0.02 0.00 -1.02 0.00 0.00 32.46 30.61 2i4m n ARG 5 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2i4m n PHE 6 N -0.09 -2.28 -3.54 -1.55 7.35 -0.96 -4.93 117.46 111.46 2i4m n PHE 6 Ca 0.01 -0.93 -0.29 0.00 -0.76 0.00 0.00 57.45 55.48 2i4m n PHE 6 Cb 0.04 -0.22 -0.14 0.00 0.35 0.00 0.00 39.48 39.51 2i4m n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2i4m s PHE 7 N -0.71 0.60 -0.45 -5.13 5.36 -1.26 -5.02 117.98 111.36 2i4m s PHE 7 Ca 0.23 -1.21 0.03 0.00 -0.96 0.00 0.00 56.93 55.01 2i4m s PHE 7 Cb -0.02 -1.00 0.15 0.00 -0.34 0.00 0.00 43.02 41.82 2i4m s PHE 7 CO 0.14 -0.83 0.30 -1.17 -1.46 0.00 0.00 175.22 172.20 2i4m s LEU 8 N 1.71 2.30 -0.97 6.12 2.96 -1.26 -4.45 118.68 125.08 2i4m s LEU 8 Ca 0.12 -2.86 -0.23 0.00 -0.22 0.00 0.00 54.13 50.94 2i4m s LEU 8 Cb -0.18 -0.82 0.06 0.00 0.50 0.00 0.00 46.19 45.74 2i4m s LEU 8 CO -0.24 -0.22 1.38 -2.16 -1.32 0.00 0.00 176.35 173.79 2i4m s PRO 9 N 0.12 3.55 0.47 0.98 0.04 -1.26 -4.92 135.00 133.97 2i4m s PRO 9 Ca 0.23 -1.14 -0.24 0.00 0.04 0.00 0.00 61.00 59.90 2i4m s PRO 9 Cb -0.12 -5.17 -0.07 0.00 0.04 0.00 0.00 34.50 29.18 2i4m s PRO 9 CO -0.08 -2.13 1.29 0.42 0.04 0.00 0.00 177.00 176.53 2i4m s ILE 10 N 4.68 2.56 -0.17 0.56 -1.09 -1.26 -3.85 121.20 122.63 2i4m s ILE 10 Ca 0.43 0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 59.25 2i4m s ILE 10 Cb -0.02 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.58 2i4m s ILE 10 CO -0.07 0.03 0.00 -0.76 -1.23 0.00 0.00 174.94 172.90 2i4m s LEU 11 N -2.95 3.46 0.13 2.97 1.43 -0.22 -4.96 118.68 118.54 2i4m s LEU 11 Ca 0.63 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2i4m s LEU 11 Cb -0.36 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2i4m s LEU 11 CO 0.45 0.17 1.66 0.11 0.23 0.00 0.00 176.35 178.96 2i4m h LYS 12 N 6.73 0.65 -6.12 1.70 6.56 -1.96 -3.45 116.57 120.68 2i4m h LYS 12 Ca -0.33 -0.14 -0.57 0.00 -1.06 0.00 0.00 60.65 58.55 2i4m h LYS 12 Cb 1.18 -0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.69 2i4m h LYS 12 CO 0.66 0.64 -0.53 -1.21 -2.06 0.00 0.00 179.45 176.95 2i4m s GLU 13 N -5.42 3.13 -0.09 3.15 0.41 -1.26 -5.08 118.70 113.55 2i4m s GLU 13 Ca -0.13 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.41 2i4m s GLU 13 Cb 0.10 -2.80 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 2i4m s GLU 13 CO 0.77 0.52 1.60 -0.80 -0.49 0.00 0.00 175.26 176.85 2i4m s ASN 14 N -3.03 6.67 0.23 -0.19 0.01 -1.26 -4.88 114.94 112.49 2i4m s ASN 14 Ca 0.32 2.10 -0.30 0.00 -0.71 0.00 0.00 52.86 54.27 2i4m s ASN 14 Cb -0.11 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 38.93 2i4m s ASN 14 CO 0.25 -0.94 1.26 -2.84 -1.51 0.00 0.00 177.10 173.32 2i4m s PRO 15 N 4.04 4.43 0.45 -0.60 0.02 -1.26 -4.87 135.00 137.21 2i4m s PRO 15 Ca 0.71 2.02 0.23 0.00 0.02 0.00 0.00 61.00 63.98 2i4m s PRO 15 Cb -0.31 -3.18 1.03 0.00 0.02 0.00 0.00 34.50 32.07 2i4m s PRO 15 CO 0.27 -0.15 1.89 0.87 -0.33 0.00 0.00 177.00 179.55 2i4m h LYS 16 N 4.81 0.00 0.00 5.54 1.57 -2.02 -2.40 116.57 124.07 2i4m h LYS 16 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2i4m h LYS 16 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2i4m h LYS 16 CO 0.73 0.23 0.00 -0.85 -0.57 0.00 0.00 179.45 178.99 2i4m n GLU 17 N -3.53 0.16 -3.10 3.15 0.00 -1.26 -4.67 120.64 111.39 2i4m n GLU 17 Ca -0.01 0.36 -0.41 0.00 0.00 0.00 0.00 57.16 57.11 2i4m n GLU 17 Cb 0.38 -1.80 -0.06 0.00 0.00 0.00 0.00 31.44 29.96 2i4m n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i4m s ALA 18 N -3.24 3.58 -0.44 -1.84 0.00 -0.91 -4.92 121.76 113.99 2i4m s ALA 18 Ca 0.06 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 51.74 2i4m s ALA 18 Cb 0.10 -3.07 0.16 0.00 0.00 0.00 0.00 23.12 20.30 2i4m s ALA 18 CO 0.39 -0.92 1.18 0.93 0.00 0.00 0.00 175.76 177.33 2i4m h GLU 19 N 8.01 0.00 -4.81 0.00 5.08 -1.88 -3.46 114.58 117.52 2i4m h GLU 19 Ca -0.27 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.80 2i4m h GLU 19 Cb 1.12 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.22 2i4m h GLU 19 CO 0.79 0.00 -0.66 0.96 -1.00 0.00 0.00 179.01 179.10 2i4m s ILE 20 N -3.26 0.69 0.09 3.13 -4.36 -1.26 -5.08 121.20 111.14 2i4m s ILE 20 Ca 0.03 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 2i4m s ILE 20 Cb 0.11 -2.14 -0.14 0.00 1.25 0.00 0.00 42.46 41.54 2i4m s ILE 20 CO 0.76 -0.46 1.64 0.58 0.24 0.00 0.00 174.94 177.71 2i4m h VAL 21 N 2.68 0.44 -1.01 8.37 2.07 -1.99 -1.64 116.25 125.17 2i4m h VAL 21 Ca -0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2i4m h VAL 21 Cb 1.21 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2i4m h VAL 21 CO 0.63 0.00 0.65 0.77 0.02 0.00 0.00 177.57 179.64 2i4m h SER 22 N -0.62 1.03 -0.24 0.57 4.64 -1.89 0.82 113.55 117.87 2i4m h SER 22 Ca -0.03 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 2i4m h SER 22 Cb 0.54 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2i4m h SER 22 CO 0.00 0.65 -0.04 -0.74 -0.87 0.00 0.00 176.83 175.83 2i4m h HIS 23 N 1.17 0.50 -0.49 4.77 6.17 -1.75 -1.22 115.15 124.29 2i4m h HIS 23 Ca 0.44 -0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.41 2i4m h HIS 23 Cb 0.20 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 2i4m h HIS 23 CO -0.00 0.66 0.29 -0.09 0.71 0.00 0.00 177.93 179.50 2i4m h ARG 24 N 0.19 0.67 -0.20 5.26 2.43 -0.77 -2.24 114.38 119.72 2i4m h ARG 24 Ca 0.06 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2i4m h ARG 24 Cb 0.49 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2i4m h ARG 24 CO 0.02 0.50 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.78 2i4m h LEU 25 N 0.66 0.47 -1.76 3.80 3.38 -0.79 0.34 115.31 121.40 2i4m h LEU 25 Ca 0.18 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2i4m h LEU 25 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2i4m h LEU 25 CO -0.03 0.80 0.20 0.24 0.09 0.00 0.00 178.44 179.74 2i4m h MET 26 N 0.13 0.31 0.05 1.13 2.86 -1.10 0.34 114.93 118.66 2i4m h MET 26 Ca 0.04 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2i4m h MET 26 Cb 0.64 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.24 2i4m h MET 26 CO 0.04 0.21 -0.46 -0.07 1.06 0.00 0.00 176.91 177.68 2i4m h LEU 27 N 0.32 0.32 -1.52 1.22 3.38 -1.19 -0.34 115.31 117.50 2i4m h LEU 27 Ca 0.12 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 2i4m h LEU 27 Cb 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2i4m h LEU 27 CO -0.02 1.17 0.27 0.03 0.09 0.00 0.00 178.44 179.97 2i4m h ARG 28 N -0.48 0.59 -0.37 1.13 3.08 0.36 -2.73 114.38 115.95 2i4m h ARG 28 Ca -0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2i4m h ARG 28 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2i4m h ARG 28 CO 0.09 0.41 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 2i4m n ALA 29 N -2.47 2.51 -3.73 0.04 0.00 0.11 -1.06 120.51 115.91 2i4m n ALA 29 Ca 0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 53.44 52.62 2i4m n ALA 29 Cb 0.07 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.60 2i4m n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 30 N 0.95 -0.49 0.07 0.00 0.00 -1.03 -4.83 105.19 99.86 2i4m n GLY 30 Ca 0.11 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 2i4m n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2i4m n MET 31 N -4.74 0.67 -3.97 1.61 2.81 -0.15 -4.36 117.12 108.98 2i4m n MET 31 Ca -0.03 -0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.70 2i4m n MET 31 Cb 0.56 -1.56 -0.13 0.00 -0.71 0.00 0.00 33.22 31.38 2i4m n MET 31 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2i4m s LEU 32 N -5.19 2.11 -0.02 4.03 2.96 -1.14 -0.29 118.68 121.14 2i4m s LEU 32 Ca -0.08 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2i4m s LEU 32 Cb 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.77 2i4m s LEU 32 CO 0.86 -0.11 -0.02 -0.60 -1.32 0.00 0.00 176.35 175.15 2i4m s ARG 33 N -0.67 0.42 0.13 1.98 3.52 -0.52 -4.71 118.95 119.09 2i4m s ARG 33 Ca -0.06 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.20 2i4m s ARG 33 Cb -0.05 -0.49 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 2i4m s ARG 33 CO -0.00 -0.04 1.02 -1.14 -0.81 0.00 0.00 175.30 174.32 2i4m s GLN 34 N 0.58 4.65 -0.01 5.12 0.74 -1.26 0.28 119.66 129.77 2i4m s GLN 34 Ca -0.06 1.55 0.02 0.00 0.05 0.00 0.00 55.36 56.92 2i4m s GLN 34 Cb -0.09 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 2i4m s GLN 34 CO -0.01 0.15 0.04 0.39 -0.55 0.00 0.00 175.29 175.31 2i4m n GLU 35 N 2.72 0.85 -3.65 1.67 -0.58 0.63 -4.89 120.64 117.40 2i4m n GLU 35 Ca 0.03 -0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.68 2i4m n GLU 35 Cb 0.48 -1.05 -0.02 0.00 -0.57 0.00 0.00 31.44 30.28 2i4m n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i4m s ALA 36 N -2.12 -1.60 -0.29 0.62 0.00 -0.93 -5.01 121.76 112.44 2i4m s ALA 36 Ca -0.01 0.34 -0.42 0.00 0.00 0.00 0.00 51.96 51.87 2i4m s ALA 36 Cb 0.01 0.67 -0.17 0.00 0.00 0.00 0.00 23.12 23.63 2i4m s ALA 36 CO 0.08 -0.90 1.62 0.00 0.00 0.00 0.00 175.76 176.57 2i4m n ALA 37 N -0.39 -0.81 -1.32 0.00 0.00 -1.26 -0.40 120.51 116.33 2i4m n ALA 37 Ca -0.08 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2i4m n ALA 37 Cb 0.61 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 2i4m n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 38 N 3.80 1.10 2.93 0.00 0.00 -1.26 -4.67 105.19 107.10 2i4m n GLY 38 Ca 0.27 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2i4m n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 39 N -2.06 0.96 0.14 -0.61 1.01 0.47 0.08 121.20 121.18 2i4m s ILE 39 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.40 2i4m s ILE 39 Cb 0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2i4m s ILE 39 CO 0.00 0.34 -0.10 -0.31 0.00 0.00 0.00 174.94 174.87 2i4m s TYR 40 N 1.31 1.25 -0.05 3.97 2.02 -1.26 -0.26 117.35 124.33 2i4m s TYR 40 Ca -0.03 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 55.89 2i4m s TYR 40 Cb -0.14 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 2i4m s TYR 40 CO -0.03 0.08 0.15 0.00 -1.57 0.00 0.00 175.55 174.17 2i4m s ALA 41 N -3.23 3.86 -0.36 3.71 0.00 0.14 -4.90 121.76 120.99 2i4m s ALA 41 Ca 0.16 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 2i4m s ALA 41 Cb 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2i4m s ALA 41 CO 0.00 0.69 0.23 -1.58 0.00 0.00 0.00 175.76 175.10 2i4m s TRP 42 N -1.19 3.22 0.76 0.00 0.52 -1.26 -1.44 118.94 119.55 2i4m s TRP 42 Ca 0.22 -0.54 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 2i4m s TRP 42 Cb -0.12 -2.47 0.05 0.00 -1.15 0.00 0.00 33.47 29.78 2i4m s TRP 42 CO 0.13 -0.49 1.10 -0.51 0.02 0.00 0.00 176.95 177.19 2i4m s LEU 43 N 1.65 2.70 0.24 2.99 1.43 0.60 -4.44 118.68 123.85 2i4m s LEU 43 Ca 0.05 1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 54.26 2i4m s LEU 43 Cb -0.18 -3.87 0.40 0.00 0.03 0.00 0.00 46.19 42.58 2i4m s LEU 43 CO 0.09 -1.73 1.63 -0.65 0.23 0.00 0.00 176.35 175.91 2i4m h PRO 44 N -0.92 0.07 -0.47 1.29 0.11 -1.82 0.44 132.00 130.70 2i4m h PRO 44 Ca -0.46 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2i4m h PRO 44 Cb 1.27 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2i4m h PRO 44 CO 0.62 0.05 0.01 1.25 -0.21 0.00 0.00 178.00 179.71 2i4m h LEU 45 N 0.07 0.72 -0.19 2.35 5.85 -1.81 -2.47 115.31 119.83 2i4m h LEU 45 Ca 0.40 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2i4m h LEU 45 Cb 0.68 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2i4m h LEU 45 CO -0.69 0.78 -0.01 1.23 -0.34 0.00 0.00 178.44 179.41 2i4m h GLY 46 N 0.96 0.37 1.15 3.75 0.00 -0.44 -2.91 103.07 105.95 2i4m h GLY 46 Ca 0.14 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.28 2i4m h GLY 46 CO 0.02 0.25 0.37 0.84 0.00 0.00 0.00 176.54 178.02 2i4m h HIS 47 N 0.08 0.40 -0.33 5.60 -0.00 -0.42 -1.95 115.15 118.53 2i4m h HIS 47 Ca 0.05 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.30 2i4m h HIS 47 Cb 0.41 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2i4m h HIS 47 CO 0.04 0.20 -0.31 0.00 -0.00 0.00 0.00 177.93 177.86 2i4m h ARG 48 N 0.39 0.80 -0.30 5.26 3.08 -1.24 -1.33 114.38 121.04 2i4m h ARG 48 Ca 0.25 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2i4m h ARG 48 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2i4m h ARG 48 CO -0.06 1.05 0.14 0.28 -1.07 0.00 0.00 179.97 180.31 2i4m h VAL 49 N 0.58 1.15 -0.40 2.04 2.07 -1.43 -1.21 116.25 119.06 2i4m h VAL 49 Ca 0.06 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.22 2i4m h VAL 49 Cb 0.89 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 2i4m h VAL 49 CO 0.08 0.16 -0.24 0.25 0.02 0.00 0.00 177.57 177.84 2i4m h LEU 50 N 0.35 -0.79 -0.08 2.57 5.85 -1.18 0.42 115.31 122.45 2i4m h LEU 50 Ca 0.10 0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.03 2i4m h LEU 50 Cb 0.12 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2i4m h LEU 50 CO -0.01 -0.26 -0.26 0.11 -0.34 0.00 0.00 178.44 177.68 2i4m h LYS 51 N -0.17 -0.34 -0.51 1.25 1.79 -1.05 0.20 116.57 117.75 2i4m h LYS 51 Ca 0.19 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.79 2i4m h LYS 51 Cb 0.47 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.10 2i4m h LYS 51 CO -0.50 -0.23 -0.06 0.87 -1.08 0.00 0.00 179.45 178.45 2i4m h LYS 52 N -0.35 0.05 -0.30 3.15 1.79 -0.18 0.11 116.57 120.84 2i4m h LYS 52 Ca 0.09 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2i4m h LYS 52 Cb 0.48 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 2i4m h LYS 52 CO -0.28 0.04 0.16 0.82 -1.08 0.00 0.00 179.45 179.11 2i4m h ILE 53 N 0.06 1.01 0.25 1.86 2.04 -0.48 -1.71 117.51 120.53 2i4m h ILE 53 Ca 0.25 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2i4m h ILE 53 Cb 0.39 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2i4m h ILE 53 CO -0.47 0.06 -0.43 -0.08 0.00 0.00 0.00 178.15 177.23 2i4m h GLU 54 N 0.34 -0.72 -0.97 2.37 4.81 0.57 -1.47 114.58 119.51 2i4m h GLU 54 Ca 0.12 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.62 2i4m h GLU 54 Cb 0.02 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.48 2i4m h GLU 54 CO -0.07 -0.48 0.62 0.37 -0.73 0.00 0.00 179.01 178.72 2i4m h GLN 55 N -0.74 0.51 -0.41 1.92 5.75 -0.58 0.91 115.11 122.46 2i4m h GLN 55 Ca -0.01 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.31 2i4m h GLN 55 Cb 0.72 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 2i4m h GLN 55 CO -0.17 0.34 -0.33 0.82 -2.65 0.00 0.00 178.83 176.84 2i4m h ILE 56 N 0.52 1.27 -0.12 2.39 2.04 -0.74 -0.92 117.51 121.95 2i4m h ILE 56 Ca 0.54 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2i4m h ILE 56 Cb 1.16 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2i4m h ILE 56 CO -0.27 0.51 0.03 0.58 0.00 0.00 0.00 178.15 178.99 2i4m h VAL 57 N 0.79 1.20 0.54 1.67 2.07 0.09 -2.06 116.25 120.55 2i4m h VAL 57 Ca 0.08 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2i4m h VAL 57 Cb 0.92 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2i4m h VAL 57 CO 0.09 0.19 -0.49 -0.09 0.02 0.00 0.00 177.57 177.28 2i4m h ARG 58 N -0.02 -0.98 -0.87 1.57 2.43 -0.87 -1.42 114.38 114.22 2i4m h ARG 58 Ca 0.04 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.44 2i4m h ARG 58 Cb 0.27 0.22 -0.16 0.00 -0.42 0.00 0.00 29.97 29.88 2i4m h ARG 58 CO 0.00 -0.65 -0.24 0.93 -1.51 0.00 0.00 179.97 178.50 2i4m h GLU 59 N -1.02 -0.01 -0.16 0.20 5.08 -1.17 -1.04 114.58 116.47 2i4m h GLU 59 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2i4m h GLU 59 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2i4m h GLU 59 CO -0.04 -0.01 -0.46 0.93 -1.00 0.00 0.00 179.01 178.43 2i4m h GLU 60 N -0.01 0.41 -0.46 2.33 4.39 -0.95 -2.07 114.58 118.21 2i4m h GLU 60 Ca 0.41 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2i4m h GLU 60 Cb 0.63 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2i4m h GLU 60 CO -0.90 0.79 0.27 1.96 -1.16 0.00 0.00 179.01 179.96 2i4m h GLN 61 N 0.33 0.52 -0.32 2.33 1.08 -0.41 -1.83 115.11 116.81 2i4m h GLN 61 Ca 0.02 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2i4m h GLN 61 Cb 0.94 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2i4m h GLN 61 CO 0.08 0.34 0.14 -0.91 -0.95 0.00 0.00 178.83 177.53 2i4m h ASN 62 N 0.53 0.44 -0.94 1.46 2.35 -1.01 -1.73 115.58 116.67 2i4m h ASN 62 Ca 0.19 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 2i4m h ASN 62 Cb 0.03 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 2i4m h ASN 62 CO -0.10 0.47 0.59 -0.09 -1.65 0.00 0.00 177.43 176.66 2i4m h ARG 63 N 0.37 1.02 0.00 0.81 2.43 -1.30 0.64 114.38 118.34 2i4m h ARG 63 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2i4m h ARG 63 Cb 0.16 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2i4m h ARG 63 CO -0.01 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 179.12 2i4m n ALA 64 N -2.36 1.79 0.00 2.80 0.00 -0.69 -4.88 120.51 117.17 2i4m n ALA 64 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2i4m n ALA 64 Cb 0.22 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2i4m n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 65 N 0.20 0.87 3.85 0.00 0.00 0.22 -4.95 105.19 105.38 2i4m n GLY 65 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2i4m n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4m s ALA 66 N -2.00 3.17 -0.19 4.61 0.00 -0.71 -4.68 121.76 121.95 2i4m s ALA 66 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2i4m s ALA 66 Cb 0.00 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2i4m s ALA 66 CO 0.00 -0.12 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 2i4m s ILE 67 N -2.49 2.22 0.17 0.00 1.01 0.12 -4.41 121.20 117.83 2i4m s ILE 67 Ca 0.56 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 2i4m s ILE 67 Cb -0.10 -1.95 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 2i4m s ILE 67 CO 0.30 0.52 1.13 -0.70 0.00 0.00 0.00 174.94 176.18 2i4m s GLU 68 N 1.31 4.56 0.11 2.79 2.12 -1.26 -0.66 118.70 127.67 2i4m s GLU 68 Ca 0.05 1.76 0.02 0.00 0.36 0.00 0.00 54.97 57.15 2i4m s GLU 68 Cb -0.13 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2i4m s GLU 68 CO -0.12 0.02 0.11 1.47 -0.54 0.00 0.00 175.26 176.21 2i4m n LEU 69 N 2.46 0.00 -3.80 2.70 -0.00 0.22 -4.87 117.00 113.71 2i4m n LEU 69 Ca 0.03 -1.02 -0.22 0.00 -0.00 0.00 0.00 56.01 54.81 2i4m n LEU 69 Cb 0.46 0.64 -0.17 0.00 -0.00 0.00 0.00 43.42 44.35 2i4m n LEU 69 CO 0.54 -0.19 -0.39 -0.22 -0.00 0.00 0.00 177.39 177.14 2i4m s LEU 70 N 0.00 0.79 0.32 1.47 2.96 -1.26 -3.88 118.68 119.08 2i4m s LEU 70 Ca 0.12 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 2i4m s LEU 70 Cb 0.00 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 2i4m s LEU 70 CO 0.09 -0.16 0.59 -0.04 -1.32 0.00 0.00 176.35 175.51 2i4m s MET 71 N 1.68 3.62 0.93 1.98 -1.94 -1.26 -5.10 119.30 119.21 2i4m s MET 71 Ca 0.01 0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.88 2i4m s MET 71 Cb -0.13 -2.61 0.15 0.00 2.01 0.00 0.00 34.83 34.26 2i4m s MET 71 CO -0.04 0.15 1.13 -1.25 -0.01 0.00 0.00 175.02 175.00 2i4m s PRO 72 N -3.75 0.97 0.15 2.03 0.05 -1.26 -4.98 135.00 128.21 2i4m s PRO 72 Ca 0.44 0.35 0.09 0.00 0.05 0.00 0.00 61.00 61.94 2i4m s PRO 72 Cb -0.10 -1.81 -0.14 0.00 0.05 0.00 0.00 34.50 32.49 2i4m s PRO 72 CO 0.32 -2.32 1.27 1.79 0.05 0.00 0.00 177.00 178.11 2i4m h THR 73 N -1.59 1.44 -3.24 1.26 1.35 -1.96 -3.45 112.91 106.72 2i4m h THR 73 Ca -0.52 -3.07 -0.62 0.00 -0.55 0.00 0.00 66.41 61.66 2i4m h THR 73 Cb 1.33 2.70 -0.14 0.00 -1.73 0.00 0.00 68.15 70.31 2i4m h THR 73 CO 0.61 0.82 -0.54 -0.76 -0.25 0.00 0.00 175.52 175.39 2i4m s LEU 74 N -6.59 3.93 0.34 3.87 1.43 -1.26 -0.92 118.68 119.47 2i4m s LEU 74 Ca 0.01 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2i4m s LEU 74 Cb 0.09 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 2i4m s LEU 74 CO 0.80 0.20 -0.10 -1.10 0.23 0.00 0.00 176.35 176.38 2i4m s GLN 75 N 0.21 1.81 -0.07 1.70 -0.21 -0.17 -4.93 119.66 118.00 2i4m s GLN 75 Ca 0.05 -1.93 -0.16 0.00 0.02 0.00 0.00 55.36 53.34 2i4m s GLN 75 Cb -0.12 -1.70 -0.05 0.00 1.00 0.00 0.00 33.01 32.14 2i4m s GLN 75 CO -0.00 0.15 0.42 -0.51 -2.12 0.00 0.00 175.29 173.23 2i4m s LEU 76 N -3.60 4.36 0.43 2.90 1.43 -1.26 0.02 118.68 122.97 2i4m s LEU 76 Ca 0.32 0.84 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 2i4m s LEU 76 Cb 0.02 -2.60 0.95 0.00 0.03 0.00 0.00 46.19 44.59 2i4m s LEU 76 CO 0.16 0.17 2.07 0.00 0.23 0.00 0.00 176.35 178.98 2i4m h ALA 77 N 5.77 1.75 -0.37 4.21 0.00 -1.41 -1.88 119.26 127.35 2i4m h ALA 77 Ca -0.46 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.49 2i4m h ALA 77 Cb 1.20 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2i4m h ALA 77 CO 0.69 0.22 -0.29 -0.44 0.00 0.00 0.00 179.25 179.43 2i4m h ASP 78 N 0.40 -0.96 -0.96 0.00 3.32 -1.94 -0.54 116.42 115.74 2i4m h ASP 78 Ca 0.11 0.18 0.31 0.00 0.02 0.00 0.00 57.03 57.64 2i4m h ASP 78 Cb -0.01 0.46 -0.16 0.00 0.22 0.00 0.00 39.33 39.84 2i4m h ASP 78 CO -0.02 -0.30 0.36 0.25 -1.72 0.00 0.00 179.24 177.81 2i4m h LEU 79 N -0.24 0.14 0.00 1.55 5.85 -1.75 0.49 115.31 121.35 2i4m h LEU 79 Ca 0.17 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 2i4m h LEU 79 Cb 0.51 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 2i4m h LEU 79 CO -0.50 -0.25 -0.40 -0.50 -0.34 0.00 0.00 178.44 176.45 2i4m h TRP 80 N 0.16 0.00 -0.37 1.25 4.06 -1.35 -3.10 115.95 116.60 2i4m h TRP 80 Ca 0.68 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.60 2i4m h TRP 80 Cb 1.54 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.68 2i4m h TRP 80 CO -0.18 0.14 0.14 0.00 -3.56 0.00 0.00 178.44 174.99 2i4m h ARG 81 N 0.00 0.56 0.00 0.49 3.08 0.14 -0.38 114.38 118.28 2i4m h ARG 81 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2i4m h ARG 81 Cb 1.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2i4m h ARG 81 CO 0.02 0.55 0.56 0.93 -1.07 0.00 0.00 179.97 180.96 2i4m h GLU 82 N 0.46 0.00 0.00 0.04 5.08 -1.10 0.26 114.58 119.32 2i4m h GLU 82 Ca 0.12 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2i4m h GLU 82 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2i4m h GLU 82 CO -0.01 0.00 -1.87 0.43 -1.00 0.00 0.00 179.01 176.56 2i4m n SER 83 N -2.73 1.47 -0.00 1.42 7.64 -0.79 -4.52 113.62 116.11 2i4m n SER 83 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.87 2i4m n SER 83 Cb 0.59 1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 64.99 2i4m n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i4m n GLY 84 N 1.92 0.48 0.18 0.23 0.00 0.08 -4.90 105.19 103.17 2i4m n GLY 84 Ca -0.15 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2i4m n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i4m h ARG 85 N 0.81 0.00 0.00 1.61 3.08 -1.72 -3.36 114.38 114.81 2i4m h ARG 85 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2i4m h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2i4m h ARG 85 CO 0.00 0.00 0.00 0.98 -1.07 0.00 0.00 179.97 179.88 2i4m n TYR 86 N -2.89 0.00 0.67 3.04 9.36 -1.07 -1.33 117.16 124.93 2i4m n TYR 86 Ca 0.03 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.31 2i4m n TYR 86 Cb 0.52 -0.09 0.34 0.00 -0.63 0.00 0.00 39.34 39.48 2i4m n TYR 86 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2i4m n ASP 87 N -1.17 0.00 -0.75 2.98 8.00 -1.26 -2.53 116.55 121.81 2i4m n ASP 87 Ca 0.00 -0.10 0.07 0.00 0.71 0.00 0.00 54.79 55.47 2i4m n ASP 87 Cb 0.00 -0.17 0.20 0.00 -0.02 0.00 0.00 41.12 41.13 2i4m n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i4m n ALA 88 N -1.17 2.51 0.07 2.24 0.00 -0.45 -4.32 120.51 119.39 2i4m n ALA 88 Ca 0.07 -1.59 0.08 0.00 0.00 0.00 0.00 53.44 52.00 2i4m n ALA 88 Cb 0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 2i4m n ALA 88 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2i4m n TYR 89 N 0.14 0.82 -3.10 0.00 9.36 -0.56 -4.98 117.16 118.85 2i4m n TYR 89 Ca 0.16 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.62 2i4m n TYR 89 Cb 0.61 -0.93 0.00 0.00 -0.63 0.00 0.00 39.34 38.39 2i4m n TYR 89 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2i4m n GLY 90 N 1.26 -1.88 0.00 2.98 0.00 -1.26 -4.34 105.19 101.94 2i4m n GLY 90 Ca -0.04 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.57 2i4m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i4m n PRO 91 N 0.00 0.40 0.00 1.61 -0.04 -1.26 -2.64 135.00 133.07 2i4m n PRO 91 Ca 0.00 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2i4m n PRO 91 Cb 0.00 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.35 2i4m n PRO 91 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2i4m n GLU 92 N -1.26 0.16 -3.06 0.54 0.00 -1.26 -4.62 120.64 111.14 2i4m n GLU 92 Ca 0.13 0.16 -0.40 0.00 0.00 0.00 0.00 57.16 57.05 2i4m n GLU 92 Cb 0.19 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.08 2i4m n GLU 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2i4m s MET 93 N -2.70 4.43 -0.48 3.44 1.75 -1.08 -0.73 119.30 123.92 2i4m s MET 93 Ca 0.13 0.92 -0.17 0.00 -1.25 0.00 0.00 55.69 55.32 2i4m s MET 93 Cb 0.11 -3.38 0.06 0.00 2.84 0.00 0.00 34.83 34.45 2i4m s MET 93 CO 0.26 0.24 0.51 -1.17 -0.65 0.00 0.00 175.02 174.21 2i4m s LEU 94 N 0.15 5.21 0.36 4.11 2.96 -1.26 -4.87 118.68 125.35 2i4m s LEU 94 Ca 0.36 -1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.11 2i4m s LEU 94 Cb -0.19 -2.33 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 2i4m s LEU 94 CO 0.20 -0.75 0.73 -0.13 -1.32 0.00 0.00 176.35 175.08 2i4m s ARG 95 N 2.17 3.84 -0.14 1.98 0.52 -1.26 -1.73 118.95 124.33 2i4m s ARG 95 Ca 0.10 0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 55.75 2i4m s ARG 95 Cb -0.21 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 32.89 2i4m s ARG 95 CO 0.10 0.06 0.31 0.42 0.02 0.00 0.00 175.30 176.21 2i4m s ILE 96 N -2.20 -0.23 -0.22 1.52 1.01 0.17 -4.95 121.20 116.30 2i4m s ILE 96 Ca 0.52 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.26 2i4m s ILE 96 Cb -0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2i4m s ILE 96 CO 0.26 0.07 0.09 0.00 0.00 0.00 0.00 174.94 175.36 2i4m s ALA 97 N 1.81 3.36 0.96 9.38 0.00 -1.26 0.37 121.76 136.38 2i4m s ALA 97 Ca -0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2i4m s ALA 97 Cb -0.11 -2.08 0.17 0.00 0.00 0.00 0.00 23.12 21.10 2i4m s ALA 97 CO -0.10 -0.16 1.00 -0.40 0.00 0.00 0.00 175.76 176.10 2i4m n ASP 98 N 4.23 0.18 0.32 0.00 5.68 -1.01 -4.83 116.55 121.12 2i4m n ASP 98 Ca -0.16 -1.42 0.20 0.00 -0.50 0.00 0.00 54.79 52.90 2i4m n ASP 98 Cb 0.52 -0.75 1.06 0.00 -1.14 0.00 0.00 41.12 40.81 2i4m n ASP 98 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2i4m h ARG 99 N 0.00 0.00 -0.60 0.11 0.11 -1.99 0.15 114.38 112.16 2i4m h ARG 99 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2i4m h ARG 99 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2i4m h ARG 99 CO 0.24 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.03 2i4m n HIS 100 N -3.24 0.79 -0.94 4.08 8.25 -1.26 -4.93 115.22 117.98 2i4m n HIS 100 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2i4m n HIS 100 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2i4m n HIS 100 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i4m n LYS 101 N 1.47 -0.04 -1.96 -0.41 5.02 0.51 -4.99 118.16 117.76 2i4m n LYS 101 Ca 0.22 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 2i4m n LYS 101 Cb 0.58 -2.84 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 2i4m n LYS 101 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i4m s ARG 102 N -0.15 4.23 -0.36 1.97 0.52 -1.26 -4.77 118.95 119.13 2i4m s ARG 102 Ca 0.00 2.35 -0.26 0.00 -0.52 0.00 0.00 55.73 57.30 2i4m s ARG 102 Cb 0.00 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.36 2i4m s ARG 102 CO 0.00 -0.52 0.91 -1.21 0.02 0.00 0.00 175.30 174.50 2i4m s GLU 103 N 0.30 3.86 0.39 3.54 2.02 -1.26 -2.42 118.70 125.14 2i4m s GLU 103 Ca 0.64 0.59 0.08 0.00 0.02 0.00 0.00 54.97 56.30 2i4m s GLU 103 Cb -0.43 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 29.98 2i4m s GLU 103 CO 0.38 -0.91 0.32 -0.51 0.02 0.00 0.00 175.26 174.57 2i4m s LEU 104 N 3.40 3.41 0.15 1.80 1.43 0.16 -1.09 118.68 127.94 2i4m s LEU 104 Ca 0.37 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2i4m s LEU 104 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2i4m s LEU 104 CO 0.18 -0.54 0.10 -1.48 0.23 0.00 0.00 176.35 174.83 2i4m s LEU 105 N -4.06 1.55 -0.43 1.79 0.05 0.10 -0.66 118.68 117.02 2i4m s LEU 105 Ca 0.45 -1.21 -0.14 0.00 0.05 0.00 0.00 54.13 53.28 2i4m s LEU 105 Cb -0.03 0.42 0.05 0.00 -2.05 0.00 0.00 46.19 44.58 2i4m s LEU 105 CO 0.27 -0.77 0.32 -0.47 -0.55 0.00 0.00 176.35 175.15 2i4m s TYR 106 N -4.06 3.25 -0.29 3.48 6.04 -0.71 -1.00 117.35 124.06 2i4m s TYR 106 Ca 0.26 -0.91 -0.38 0.00 0.04 0.00 0.00 57.07 56.08 2i4m s TYR 106 Cb 0.07 -2.86 -0.14 0.00 -1.04 0.00 0.00 41.96 37.99 2i4m s TYR 106 CO 0.04 -0.72 1.90 0.41 -1.54 0.00 0.00 175.55 175.64 2i4m n GLY 107 N 5.12 0.78 0.14 8.97 0.00 -0.10 -4.35 105.19 115.76 2i4m n GLY 107 Ca -0.12 0.94 0.13 0.00 0.00 0.00 0.00 46.02 46.97 2i4m n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i4m h PRO 108 N 8.93 0.00 0.00 1.61 0.13 -1.91 -2.72 132.00 138.04 2i4m h PRO 108 Ca -0.40 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2i4m h PRO 108 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2i4m h PRO 108 CO 0.98 0.00 0.53 -2.37 -0.23 0.00 0.00 178.00 176.91 2i4m n THR 109 N -2.52 0.00 -1.05 1.56 5.66 -1.26 -4.80 114.28 111.87 2i4m n THR 109 Ca 0.05 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2i4m n THR 109 Cb 0.44 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 2i4m n THR 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2i4m n ASN 110 N -0.73 0.00 -0.39 1.09 4.13 -1.26 -4.92 115.26 113.18 2i4m n ASN 110 Ca 0.02 -1.00 -0.09 0.00 1.68 0.00 0.00 54.58 55.19 2i4m n ASN 110 Cb 0.35 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.51 2i4m n ASN 110 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2i4m n GLU 111 N 0.00 -0.39 -0.02 3.52 4.71 -1.26 -1.10 120.64 126.10 2i4m n GLU 111 Ca 0.00 1.43 -0.09 0.00 -0.01 0.00 0.00 57.16 58.49 2i4m n GLU 111 Cb 0.45 -2.11 -0.04 0.00 -1.01 0.00 0.00 31.44 28.73 2i4m n GLU 111 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2i4m h GLU 112 N 0.00 -0.00 -0.32 3.49 3.07 -1.94 -2.39 114.58 116.49 2i4m h GLU 112 Ca 0.18 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2i4m h GLU 112 Cb 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2i4m h GLU 112 CO -0.90 -0.00 -0.13 1.98 -1.40 0.00 0.00 179.01 178.56 2i4m h MET 113 N -0.00 0.56 -0.16 2.33 4.05 -1.76 0.46 114.93 120.41 2i4m h MET 113 Ca 0.07 -0.17 -0.17 0.00 -0.28 0.00 0.00 59.70 59.14 2i4m h MET 113 Cb 0.10 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2i4m h MET 113 CO -0.15 0.68 -0.61 0.97 0.23 0.00 0.00 176.91 178.04 2i4m h ILE 114 N 0.52 1.33 -0.62 1.77 6.09 -1.00 0.27 117.51 125.86 2i4m h ILE 114 Ca 0.09 -1.89 -0.04 0.00 -1.37 0.00 0.00 64.86 61.66 2i4m h ILE 114 Cb 0.53 1.86 -0.03 0.00 0.47 0.00 0.00 36.82 39.66 2i4m h ILE 114 CO 0.03 0.58 0.25 0.74 -3.07 0.00 0.00 178.15 176.68 2i4m h THR 115 N 0.40 1.23 0.04 2.19 2.02 -0.95 0.74 112.91 118.59 2i4m h THR 115 Ca -0.01 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.48 2i4m h THR 115 Cb 1.17 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2i4m h THR 115 CO 0.11 0.28 -0.36 -0.08 0.37 0.00 0.00 175.52 175.84 2i4m h GLU 116 N 0.86 -0.52 -0.07 6.66 4.22 0.25 -0.07 114.58 125.90 2i4m h GLU 116 Ca 0.21 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.69 2i4m h GLU 116 Cb 0.20 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2i4m h GLU 116 CO -0.02 -0.35 -0.01 0.82 -2.18 0.00 0.00 179.01 177.28 2i4m h ILE 117 N -0.54 0.95 -0.20 2.32 2.04 -0.32 -2.98 117.51 118.78 2i4m h ILE 117 Ca 0.05 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2i4m h ILE 117 Cb 0.61 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 2i4m h ILE 117 CO -0.27 0.00 -0.34 0.15 0.00 0.00 0.00 178.15 177.70 2i4m h PHE 118 N 0.02 -0.94 0.00 1.37 3.57 0.85 -2.55 116.94 119.26 2i4m h PHE 118 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2i4m h PHE 118 Cb 0.04 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2i4m h PHE 118 CO -0.12 -0.40 0.00 0.07 -2.23 0.00 0.00 178.31 175.63 2i4m h ARG 119 N -0.37 0.00 -0.05 1.11 0.11 -0.91 -0.46 114.38 113.81 2i4m h ARG 119 Ca 0.11 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.08 2i4m h ARG 119 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2i4m h ARG 119 CO -0.41 0.00 -0.47 0.00 0.10 0.00 0.00 179.97 179.19 2i4m h ALA 120 N 2.14 1.12 0.00 0.08 0.00 -1.30 -3.40 119.26 117.91 2i4m h ALA 120 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2i4m h ALA 120 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2i4m h ALA 120 CO 0.00 0.62 -0.45 0.66 0.00 0.00 0.00 179.25 180.07 2i4m n TYR 121 N -3.97 0.00 -4.13 0.00 4.01 -0.86 -5.04 117.16 107.17 2i4m n TYR 121 Ca -0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 2i4m n TYR 121 Cb 0.51 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.42 2i4m n TYR 121 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2i4m s ILE 122 N -1.03 4.23 0.00 -0.72 -1.09 -0.24 -4.95 121.20 117.40 2i4m s ILE 122 Ca 0.00 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2i4m s ILE 122 Cb 0.00 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2i4m s ILE 122 CO 0.00 0.45 0.00 0.29 -1.23 0.00 0.00 174.94 174.45 2i4m n LYS 123 N 3.87 2.56 -4.68 2.79 4.76 -1.26 -4.67 118.16 121.53 2i4m n LYS 123 Ca -0.17 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.97 2i4m n LYS 123 Cb 0.52 -0.78 -0.13 0.00 -1.84 0.00 0.00 35.03 32.80 2i4m n LYS 123 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2i4m s SER 124 N -1.30 3.70 0.64 4.39 0.15 -1.26 0.31 113.70 120.33 2i4m s SER 124 Ca 0.00 -0.46 0.36 0.00 0.70 0.00 0.00 55.95 56.55 2i4m s SER 124 Cb 0.00 -0.55 1.96 0.00 -1.71 0.00 0.00 66.02 65.71 2i4m s SER 124 CO 0.00 0.25 2.10 0.10 1.20 0.00 0.00 173.24 176.89 2i4m h TYR 125 N 4.53 0.00 0.00 3.44 -0.00 -1.04 -2.12 116.97 121.78 2i4m h TYR 125 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 2i4m h TYR 125 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.88 2i4m h TYR 125 CO 0.53 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 180.32 2i4m n LYS 126 N -2.91 0.10 0.00 0.10 5.02 -1.26 -2.49 118.16 116.72 2i4m n LYS 126 Ca -0.02 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2i4m n LYS 126 Cb 0.21 -1.71 0.27 0.00 -0.02 0.00 0.00 35.03 33.79 2i4m n LYS 126 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2i4m n SER 127 N -1.90 1.64 -4.69 4.39 7.64 -0.80 -4.95 113.62 114.95 2i4m n SER 127 Ca 0.02 -1.32 -0.24 0.00 1.01 0.00 0.00 58.87 58.34 2i4m n SER 127 Cb 0.18 0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2i4m n SER 127 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2i4m s LEU 128 N -2.33 3.36 0.76 -3.43 1.43 -1.04 -4.34 118.68 113.10 2i4m s LEU 128 Ca 0.26 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2i4m s LEU 128 Cb 0.19 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.54 2i4m s LEU 128 CO 0.47 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 176.01 2i4m s PRO 129 N -3.50 2.25 -0.08 1.29 0.04 -1.26 -5.05 135.00 128.69 2i4m s PRO 129 Ca 0.31 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 2i4m s PRO 129 Cb -0.08 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2i4m s PRO 129 CO 0.21 -1.66 0.22 -1.17 0.04 0.00 0.00 177.00 174.63 2i4m s LEU 130 N -5.69 1.18 -0.07 -3.56 2.96 -1.04 -5.01 118.68 107.45 2i4m s LEU 130 Ca 0.64 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 2i4m s LEU 130 Cb -0.19 0.75 0.04 0.00 0.50 0.00 0.00 46.19 47.29 2i4m s LEU 130 CO 0.52 -0.10 0.06 0.21 -1.32 0.00 0.00 176.35 175.72 2i4m s ASN 131 N 0.02 1.45 -0.04 3.68 3.04 -1.26 -0.10 114.94 121.73 2i4m s ASN 131 Ca -0.01 -0.08 0.04 0.00 0.04 0.00 0.00 52.86 52.85 2i4m s ASN 131 Cb -0.02 -0.20 -0.03 0.00 -1.54 0.00 0.00 41.25 39.46 2i4m s ASN 131 CO 0.00 -0.26 -0.14 -0.76 -3.04 0.00 0.00 177.10 172.90 2i4m s LEU 132 N 2.13 2.76 0.09 3.21 1.43 -0.44 0.15 118.68 128.02 2i4m s LEU 132 Ca 0.04 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2i4m s LEU 132 Cb -0.13 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2i4m s LEU 132 CO -0.04 0.33 0.07 -0.72 0.23 0.00 0.00 176.35 176.22 2i4m s TYR 133 N -0.77 0.52 0.16 0.29 -0.85 0.16 -1.01 117.35 115.85 2i4m s TYR 133 Ca 0.12 -0.98 -0.04 0.00 -0.52 0.00 0.00 57.07 55.66 2i4m s TYR 133 Cb -0.11 -0.31 -0.03 0.00 0.38 0.00 0.00 41.96 41.90 2i4m s TYR 133 CO 0.01 -0.49 0.16 -3.38 -1.52 0.00 0.00 175.55 170.33 2i4m s HIS 134 N -3.95 0.78 -0.22 -3.49 -3.43 -0.75 0.70 115.29 104.93 2i4m s HIS 134 Ca 0.12 -1.12 0.01 0.00 -0.80 0.00 0.00 55.06 53.27 2i4m s HIS 134 Cb 0.07 -0.35 0.06 0.00 -1.43 0.00 0.00 32.58 30.92 2i4m s HIS 134 CO -0.06 -0.63 -0.06 0.42 -2.00 0.00 0.00 174.74 172.41 2i4m s ILE 135 N -4.05 1.52 0.04 -5.38 1.01 -1.26 -1.97 121.20 111.11 2i4m s ILE 135 Ca 0.26 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 2i4m s ILE 135 Cb 0.06 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.82 2i4m s ILE 135 CO 0.04 -0.03 0.39 -1.58 0.00 0.00 0.00 174.94 173.76 2i4m s GLN 136 N 1.41 0.90 0.31 2.79 2.00 -0.69 -4.98 119.66 121.40 2i4m s GLN 136 Ca -0.05 -0.40 -0.27 0.00 -2.00 0.00 0.00 55.36 52.65 2i4m s GLN 136 Cb -0.18 0.40 -0.09 0.00 0.80 0.00 0.00 33.01 33.93 2i4m s GLN 136 CO -0.07 -0.30 0.98 -1.58 -0.50 0.00 0.00 175.29 173.82 2i4m s TRP 137 N -2.51 3.67 0.22 1.67 0.52 -1.26 -2.49 118.94 118.76 2i4m s TRP 137 Ca -0.05 1.78 0.06 0.00 0.02 0.00 0.00 56.10 57.91 2i4m s TRP 137 Cb -0.01 -3.03 -0.05 0.00 -1.15 0.00 0.00 33.47 29.24 2i4m s TRP 137 CO -0.03 0.01 -0.09 0.15 0.02 0.00 0.00 176.95 177.01 2i4m s LYS 138 N -1.85 1.36 -0.07 4.98 1.02 0.16 -4.81 119.74 120.54 2i4m s LYS 138 Ca 0.49 -1.64 0.02 0.00 0.02 0.00 0.00 55.97 54.85 2i4m s LYS 138 Cb -0.23 -0.98 0.02 0.00 -0.52 0.00 0.00 37.83 36.11 2i4m s LYS 138 CO 0.29 0.08 -0.10 0.12 -0.92 0.00 0.00 175.35 174.82 2i4m s PHE 139 N -3.10 1.30 -0.13 3.18 5.36 -1.02 -2.04 117.98 121.52 2i4m s PHE 139 Ca 0.25 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 2i4m s PHE 139 Cb 0.02 -1.00 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 2i4m s PHE 139 CO 0.08 -0.28 -0.19 1.03 -1.46 0.00 0.00 175.22 174.40 2i4m s ARG 140 N 0.84 2.63 -1.44 10.12 0.52 -0.32 -3.67 118.95 127.62 2i4m s ARG 140 Ca -0.12 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.25 2i4m s ARG 140 Cb -0.15 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 2i4m s ARG 140 CO 0.02 -0.04 2.45 -3.47 0.02 0.00 0.00 175.30 174.28 2i4m n ASP 141 N 4.14 5.49 -4.67 0.23 -0.08 0.09 -4.29 116.55 117.46 2i4m n ASP 141 Ca -0.19 -2.71 -0.47 0.00 -1.51 0.00 0.00 54.79 49.90 2i4m n ASP 141 Cb 0.51 -1.56 -0.04 0.00 2.34 0.00 0.00 41.12 42.37 2i4m n ASP 141 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2i4m n GLU 142 N 5.22 2.17 -0.29 -0.67 4.07 -1.26 -4.28 120.64 125.60 2i4m n GLU 142 Ca 0.61 0.79 -0.05 0.00 -0.06 0.00 0.00 57.16 58.44 2i4m n GLU 142 Cb 0.32 -2.60 -0.00 0.00 -0.06 0.00 0.00 31.44 29.10 2i4m n GLU 142 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2i4m h GLN 143 N 7.50 -0.10 -3.06 5.31 4.15 -1.95 -3.29 115.11 123.66 2i4m h GLN 143 Ca -0.47 0.01 -0.62 0.00 0.77 0.00 0.00 58.65 58.34 2i4m h GLN 143 Cb 1.26 0.02 -0.41 0.00 0.21 0.00 0.00 27.48 28.57 2i4m h GLN 143 CO 0.92 -0.07 -0.68 1.03 -1.93 0.00 0.00 178.83 178.09 2i4m s ARG 144 N -5.89 1.78 -0.05 1.69 0.52 -1.26 -5.07 118.95 110.67 2i4m s ARG 144 Ca -0.14 -2.58 -0.33 0.00 -0.52 0.00 0.00 55.73 52.16 2i4m s ARG 144 Cb 0.16 -2.82 -0.11 0.00 0.52 0.00 0.00 34.95 32.70 2i4m s ARG 144 CO 0.68 -1.21 1.92 -2.30 0.02 0.00 0.00 175.30 174.42 2i4m n PRO 145 N 2.89 2.42 -4.36 3.54 -0.02 -1.24 -4.94 135.00 133.29 2i4m n PRO 145 Ca 0.13 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.32 2i4m n PRO 145 Cb 0.35 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 30.96 2i4m n PRO 145 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2i4m s ARG 146 N 4.25 1.39 -0.96 -0.52 0.52 -0.36 -4.68 118.95 118.60 2i4m s ARG 146 Ca 0.92 -1.69 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 2i4m s ARG 146 Cb -0.60 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.05 2i4m s ARG 146 CO 0.48 -0.03 0.82 1.19 0.02 0.00 0.00 175.30 177.78 2i4m n PHE 147 N -0.46 -1.89 0.00 -0.53 3.72 -1.26 -1.96 117.46 115.08 2i4m n PHE 147 Ca -0.06 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 2i4m n PHE 147 Cb 0.63 -4.18 0.00 0.00 -0.94 0.00 0.00 39.48 34.99 2i4m n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i4m n GLY 148 N -1.35 2.47 0.00 1.37 0.00 -1.26 -1.18 105.19 105.23 2i4m n GLY 148 Ca -0.11 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2i4m n GLY 148 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i4m n VAL 149 N 0.00 0.00 -0.06 1.61 0.24 -1.26 -3.52 118.33 115.34 2i4m n VAL 149 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2i4m n VAL 149 Cb 0.00 -0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 31.95 2i4m n VAL 149 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2i4m n MET 150 N -0.70 0.69 -3.14 7.34 0.00 -0.33 -3.90 117.12 117.08 2i4m n MET 150 Ca 0.08 0.19 -0.22 0.00 0.00 0.00 0.00 57.70 57.74 2i4m n MET 150 Cb 0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 33.22 31.58 2i4m n MET 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2i4m n ARG 151 N -3.22 1.70 0.00 2.12 0.63 -0.83 -4.99 116.66 112.07 2i4m n ARG 151 Ca -0.34 -3.89 0.00 0.00 -0.92 0.00 0.00 57.85 52.70 2i4m n ARG 151 Cb 1.05 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2i4m n ARG 151 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i4m n GLY 152 N 0.36 1.27 0.72 5.14 0.00 -1.23 -1.22 105.19 110.23 2i4m n GLY 152 Ca 0.26 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2i4m n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m n ARG 153 N 0.00 0.00 -3.19 1.61 1.74 0.11 -4.62 116.66 112.31 2i4m n ARG 153 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2i4m n ARG 153 Cb 0.00 -0.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 2i4m n ARG 153 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2i4m s GLU 154 N -1.97 3.75 0.16 5.56 2.12 -0.97 -1.17 118.70 126.18 2i4m s GLU 154 Ca 0.00 0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.32 2i4m s GLU 154 Cb 0.00 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2i4m s GLU 154 CO 0.00 -0.60 0.17 -0.59 -0.54 0.00 0.00 175.26 173.70 2i4m s PHE 155 N 2.48 0.71 -0.17 5.30 -0.12 -0.87 -4.74 117.98 120.58 2i4m s PHE 155 Ca 0.21 -1.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.01 2i4m s PHE 155 Cb -0.15 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 2i4m s PHE 155 CO 0.13 -0.64 -0.06 -1.17 -0.05 0.00 0.00 175.22 173.43 2i4m s LEU 156 N -3.04 2.99 -0.00 -1.99 2.96 -1.26 -0.67 118.68 117.67 2i4m s LEU 156 Ca 0.24 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2i4m s LEU 156 Cb 0.05 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2i4m s LEU 156 CO 0.03 0.11 -0.23 -0.04 -1.32 0.00 0.00 176.35 174.90 2i4m s MET 157 N 0.73 1.78 -0.50 1.98 -1.94 -1.04 -1.70 119.30 118.60 2i4m s MET 157 Ca -0.03 -0.85 -0.22 0.00 -1.71 0.00 0.00 55.69 52.89 2i4m s MET 157 Cb -0.15 -1.76 0.04 0.00 2.01 0.00 0.00 34.83 34.98 2i4m s MET 157 CO 0.02 0.48 0.76 0.21 -0.01 0.00 0.00 175.02 176.47 2i4m s LYS 158 N -0.66 3.26 -0.16 2.03 2.36 -1.00 -1.70 119.74 123.87 2i4m s LYS 158 Ca 0.09 -0.48 -0.00 0.00 -2.55 0.00 0.00 55.97 53.02 2i4m s LYS 158 Cb -0.09 -4.04 -0.01 0.00 -1.05 0.00 0.00 37.83 32.65 2i4m s LYS 158 CO -0.00 -1.26 -0.13 0.16 1.55 0.00 0.00 175.35 175.67 2i4m s ASP 159 N 2.55 3.83 0.22 1.43 -4.77 -0.83 -1.01 116.67 118.08 2i4m s ASP 159 Ca 0.24 -0.43 0.11 0.00 -3.30 0.00 0.00 52.55 49.17 2i4m s ASP 159 Cb -0.15 -1.60 -0.05 0.00 -1.09 0.00 0.00 42.92 40.03 2i4m s ASP 159 CO 0.17 0.09 -0.22 0.00 0.70 0.00 0.00 175.17 175.91 2i4m s ALA 160 N 0.82 2.52 -0.07 2.11 0.00 0.36 -1.81 121.76 125.68 2i4m s ALA 160 Ca -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.18 2i4m s ALA 160 Cb -0.15 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2i4m s ALA 160 CO 0.00 0.34 0.13 0.71 0.00 0.00 0.00 175.76 176.94 2i4m s TYR 161 N -2.05 -0.11 0.17 0.00 2.02 -0.18 -1.06 117.35 116.14 2i4m s TYR 161 Ca 0.23 0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 57.42 2i4m s TYR 161 Cb -0.06 -0.31 -0.05 0.00 -0.40 0.00 0.00 41.96 41.14 2i4m s TYR 161 CO 0.11 -0.24 0.36 -1.54 -1.57 0.00 0.00 175.55 172.67 2i4m s SER 162 N 2.18 6.41 -0.06 2.29 1.04 -0.64 -1.32 113.70 123.59 2i4m s SER 162 Ca 0.03 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 2i4m s SER 162 Cb -0.12 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.01 2i4m s SER 162 CO -0.05 0.01 -0.00 -0.36 0.98 0.00 0.00 173.24 173.82 2i4m s PHE 163 N -1.77 0.62 0.19 5.02 0.08 0.86 -2.67 117.98 120.31 2i4m s PHE 163 Ca 0.39 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.30 2i4m s PHE 163 Cb -0.11 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2i4m s PHE 163 CO 0.28 -0.28 0.08 -0.51 -0.10 0.00 0.00 175.22 174.68 2i4m s ASP 164 N 1.71 0.70 0.11 1.36 1.01 0.13 -2.48 116.67 119.21 2i4m s ASP 164 Ca 0.01 -1.30 -0.01 0.00 0.71 0.00 0.00 52.55 51.96 2i4m s ASP 164 Cb -0.13 0.24 -0.19 0.00 1.01 0.00 0.00 42.92 43.85 2i4m s ASP 164 CO -0.04 -0.73 1.23 0.58 0.21 0.00 0.00 175.17 176.42 2i4m h VAL 165 N 2.63 1.52 -3.79 -1.27 2.07 -1.93 0.35 116.25 115.84 2i4m h VAL 165 Ca -0.37 -2.96 -0.09 0.00 0.82 0.00 0.00 66.70 64.11 2i4m h VAL 165 Cb 1.23 2.77 -0.11 0.00 -1.52 0.00 0.00 31.29 33.66 2i4m h VAL 165 CO 0.59 0.86 -0.22 1.51 0.02 0.00 0.00 177.57 180.33 2i4m s ASP 166 N -7.03 -0.04 0.27 0.57 1.47 -1.26 -4.50 116.67 106.16 2i4m s ASP 166 Ca -0.03 -0.90 0.00 0.00 1.18 0.00 0.00 52.55 52.80 2i4m s ASP 166 Cb 0.08 0.51 0.62 0.00 -0.34 0.00 0.00 42.92 43.80 2i4m s ASP 166 CO 0.86 -1.01 1.69 -0.08 0.68 0.00 0.00 175.17 177.31 2i4m h GLU 167 N 2.39 0.35 0.08 2.11 4.81 -1.95 -2.38 114.58 119.99 2i4m h GLU 167 Ca -0.29 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2i4m h GLU 167 Cb 1.24 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2i4m h GLU 167 CO 0.42 0.23 -0.39 0.00 -0.73 0.00 0.00 179.01 178.54 2i4m h ALA 168 N 1.67 -0.66 -0.76 2.92 0.00 -1.99 -0.37 119.26 120.07 2i4m h ALA 168 Ca 0.50 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2i4m h ALA 168 Cb 0.92 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 2i4m h ALA 168 CO -0.52 -0.94 0.47 0.78 0.00 0.00 0.00 179.25 179.04 2i4m h GLY 169 N -0.60 1.11 1.53 0.00 0.00 -1.88 -1.80 103.07 101.45 2i4m h GLY 169 Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2i4m h GLY 169 CO -0.26 0.27 -0.00 0.00 0.00 0.00 0.00 176.54 176.55 2i4m h ALA 170 N 1.34 1.31 -0.26 3.60 0.00 -1.16 -0.78 119.26 123.31 2i4m h ALA 170 Ca 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2i4m h ALA 170 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2i4m h ALA 170 CO -0.14 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 2i4m h ARG 171 N 0.55 0.39 -0.17 0.00 3.08 -0.22 0.13 114.38 118.14 2i4m h ARG 171 Ca 0.12 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2i4m h ARG 171 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2i4m h ARG 171 CO 0.01 0.43 0.00 0.87 -1.07 0.00 0.00 179.97 180.22 2i4m h LYS 172 N 0.38 0.30 -0.15 0.04 1.57 -0.70 -2.35 116.57 115.65 2i4m h LYS 172 Ca 0.08 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2i4m h LYS 172 Cb 0.28 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2i4m h LYS 172 CO 0.01 0.51 -0.10 0.77 -0.57 0.00 0.00 179.45 180.07 2i4m h SER 173 N 0.05 -0.32 -0.33 0.86 0.02 -0.85 -1.13 113.55 111.85 2i4m h SER 173 Ca 0.05 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 2i4m h SER 173 Cb 0.38 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 2i4m h SER 173 CO 0.01 -0.13 -0.43 0.22 -1.14 0.00 0.00 176.83 175.36 2i4m h TYR 174 N -0.10 -1.23 -0.80 3.45 3.20 -0.73 -1.98 116.97 118.77 2i4m h TYR 174 Ca 0.09 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.11 2i4m h TYR 174 Cb 0.23 0.59 -0.07 0.00 1.54 0.00 0.00 36.73 39.02 2i4m h TYR 174 CO -0.23 -0.45 0.46 -0.91 -1.64 0.00 0.00 178.16 175.39 2i4m h ASN 175 N -0.37 0.66 -0.25 -2.11 2.35 -1.07 0.77 115.58 115.57 2i4m h ASN 175 Ca 0.12 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 2i4m h ASN 175 Cb 0.59 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 2i4m h ASN 175 CO -0.52 0.39 -0.15 0.11 -1.65 0.00 0.00 177.43 175.60 2i4m h LYS 176 N 0.78 -0.13 -0.70 0.81 1.57 -0.77 -0.83 116.57 117.31 2i4m h LYS 176 Ca 0.38 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2i4m h LYS 176 Cb 0.33 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2i4m h LYS 176 CO -0.24 -0.08 0.39 0.52 -0.57 0.00 0.00 179.45 179.47 2i4m h MET 177 N -0.13 0.97 -0.42 3.15 2.86 -0.41 -1.11 114.93 119.86 2i4m h MET 177 Ca 0.14 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.75 2i4m h MET 177 Cb 0.34 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 2i4m h MET 177 CO -0.33 0.73 -0.15 0.35 1.06 0.00 0.00 176.91 178.56 2i4m h PHE 178 N 0.96 -0.36 -0.24 -0.22 -0.00 -0.30 0.17 116.94 116.95 2i4m h PHE 178 Ca 0.25 0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 58.24 2i4m h PHE 178 Cb 0.03 0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 36.19 2i4m h PHE 178 CO -0.00 -0.23 0.07 0.28 -0.00 0.00 0.00 178.31 178.42 2i4m h VAL 179 N -0.06 1.20 -0.98 1.41 2.07 -0.82 -1.34 116.25 117.72 2i4m h VAL 179 Ca 0.20 -0.65 0.22 0.00 0.82 0.00 0.00 66.70 67.29 2i4m h VAL 179 Cb 0.37 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2i4m h VAL 179 CO -0.46 0.21 0.63 0.00 0.02 0.00 0.00 177.57 177.96 2i4m h ALA 180 N 0.89 2.04 -0.01 1.67 0.00 -0.52 0.84 119.26 124.16 2i4m h ALA 180 Ca 0.08 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2i4m h ALA 180 Cb 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2i4m h ALA 180 CO -0.00 -0.40 -0.83 1.88 0.00 0.00 0.00 179.25 179.91 2i4m h TYR 181 N 0.52 0.85 -0.94 0.00 -1.99 -0.18 0.25 116.97 115.49 2i4m h TYR 181 Ca 0.55 -0.46 0.14 0.00 2.00 0.00 0.00 58.73 60.96 2i4m h TYR 181 Cb 1.20 -0.10 -0.09 0.00 2.00 0.00 0.00 36.73 39.74 2i4m h TYR 181 CO -0.00 1.28 0.55 -0.07 -0.00 0.00 0.00 178.16 179.92 2i4m h LEU 182 N 0.18 0.75 0.01 3.88 3.38 -0.06 -2.24 115.31 121.21 2i4m h LEU 182 Ca -0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2i4m h LEU 182 Cb 1.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2i4m h LEU 182 CO 0.16 0.35 -0.01 0.03 0.09 0.00 0.00 178.44 179.07 2i4m h ARG 183 N 0.81 -0.02 -0.74 1.13 3.08 -0.68 -3.10 114.38 114.87 2i4m h ARG 183 Ca 0.49 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.71 2i4m h ARG 183 Cb 0.61 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.54 2i4m h ARG 183 CO -0.32 0.57 0.02 1.15 -1.07 0.00 0.00 179.97 180.32 2i4m h THR 184 N -0.61 0.37 0.10 2.04 2.02 -0.02 -0.74 112.91 116.07 2i4m h THR 184 Ca -0.00 -0.04 -0.29 0.00 0.77 0.00 0.00 66.41 66.85 2i4m h THR 184 Cb 0.59 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2i4m h THR 184 CO 0.00 0.02 -1.43 -0.26 0.37 0.00 0.00 175.52 174.22 2i4m h PHE 185 N 0.12 0.39 -0.80 3.16 0.04 -1.53 -3.16 116.94 115.16 2i4m h PHE 185 Ca 0.41 -0.28 0.03 0.00 2.80 0.00 0.00 57.97 60.92 2i4m h PHE 185 Cb 0.71 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.80 2i4m h PHE 185 CO -0.40 1.30 0.51 0.00 -0.60 0.00 0.00 178.31 179.12 2i4m h ALA 186 N 0.59 1.05 0.00 2.45 0.00 -1.38 0.15 119.26 122.12 2i4m h ALA 186 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2i4m h ALA 186 Cb 1.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2i4m h ALA 186 CO 0.16 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2i4m h ARG 187 N 1.00 0.00 -0.16 0.00 3.08 -1.11 0.15 114.38 117.34 2i4m h ARG 187 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2i4m h ARG 187 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2i4m h ARG 187 CO -0.11 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.46 2i4m n MET 188 N -2.90 2.19 -1.35 0.04 2.81 -0.06 -4.66 117.12 113.20 2i4m n MET 188 Ca -0.02 -1.76 -0.06 0.00 -1.81 0.00 0.00 57.70 54.05 2i4m n MET 188 Cb 0.09 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 2i4m n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i4m n GLY 189 N 1.34 0.68 3.69 3.03 0.00 0.52 -4.71 105.19 109.74 2i4m n GLY 189 Ca 0.17 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2i4m n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i4m s LEU 190 N -1.34 3.48 -0.91 0.99 1.43 -0.59 -5.00 118.68 116.75 2i4m s LEU 190 Ca 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2i4m s LEU 190 Cb 0.00 -2.19 0.31 0.00 0.03 0.00 0.00 46.19 44.34 2i4m s LEU 190 CO 0.00 0.18 1.42 0.29 0.23 0.00 0.00 176.35 178.47 2i4m n LYS 191 N 0.62 4.36 -2.08 1.70 5.02 -1.26 -3.52 118.16 123.01 2i4m n LYS 191 Ca -0.11 -4.68 -0.42 0.00 -2.02 0.00 0.00 58.31 51.08 2i4m n LYS 191 Cb 0.52 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 2i4m n LYS 191 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i4m s ALA 192 N -3.49 3.63 -0.21 7.82 0.00 -1.26 -4.43 121.76 123.82 2i4m s ALA 192 Ca 0.39 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2i4m s ALA 192 Cb 0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2i4m s ALA 192 CO -0.05 -0.99 0.06 0.42 0.00 0.00 0.00 175.76 175.20 2i4m s ILE 193 N 2.44 4.51 -0.26 0.00 -1.09 0.60 -4.61 121.20 122.79 2i4m s ILE 193 Ca 0.69 -0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 58.70 2i4m s ILE 193 Cb -0.36 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2i4m s ILE 193 CO 0.29 0.40 1.59 -2.16 -1.23 0.00 0.00 174.94 173.83 2i4m s PRO 194 N 0.96 3.74 0.09 2.79 0.04 -1.26 -0.55 135.00 140.82 2i4m s PRO 194 Ca 0.04 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.66 2i4m s PRO 194 Cb -0.14 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 2i4m s PRO 194 CO 0.03 -1.36 -0.13 0.00 0.04 0.00 0.00 177.00 175.57 2i4m s MET 195 N 4.75 0.89 0.60 4.56 0.23 0.28 -4.87 119.30 125.75 2i4m s MET 195 Ca 0.70 -1.09 -0.19 0.00 -1.03 0.00 0.00 55.69 54.08 2i4m s MET 195 Cb -0.23 -0.79 -0.03 0.00 -1.53 0.00 0.00 34.83 32.25 2i4m s MET 195 CO 0.29 0.16 1.22 0.54 -2.03 0.00 0.00 175.02 175.20 2i4m n ARG 196 N 0.89 1.24 0.00 3.16 1.74 -1.07 -0.88 116.66 121.74 2i4m n ARG 196 Ca -0.18 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2i4m n ARG 196 Cb 0.56 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 2i4m n ARG 196 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i4m n ALA 197 N -1.57 0.00 -2.54 7.54 0.00 -1.21 -2.83 120.51 119.91 2i4m n ALA 197 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 2i4m n ALA 197 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 2i4m n ALA 197 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i4m s GLU 198 N 1.74 0.74 0.00 0.00 2.12 -1.26 -4.79 118.70 117.24 2i4m s GLU 198 Ca 0.00 -1.06 0.16 0.00 0.36 0.00 0.00 54.97 54.43 2i4m s GLU 198 Cb 0.00 -0.39 0.30 0.00 0.26 0.00 0.00 34.13 34.30 2i4m s GLU 198 CO 0.00 0.05 1.20 0.25 -0.54 0.00 0.00 175.26 176.23 2i4m n THR 199 N 0.74 0.51 0.00 -1.70 -2.24 -1.26 -4.98 114.28 105.35 2i4m n THR 199 Ca -0.18 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 2i4m n THR 199 Cb 0.57 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 2i4m n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i4m n GLY 200 N 0.97 0.00 0.33 3.38 0.00 -1.26 0.51 105.19 109.12 2i4m n GLY 200 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.36 2i4m n GLY 200 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i4m h PRO 201 N 0.00 0.00 0.03 1.61 0.11 -1.95 -3.19 132.00 128.61 2i4m h PRO 201 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 2i4m h PRO 201 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2i4m h PRO 201 CO 0.00 0.00 -1.03 0.82 -0.21 0.00 0.00 178.00 177.58 2i4m h ILE 202 N 0.00 1.39 0.00 4.15 1.08 -0.34 -3.50 117.51 120.29 2i4m h ILE 202 Ca 0.00 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 61.94 2i4m h ILE 202 Cb 0.03 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2i4m h ILE 202 CO -0.00 0.75 0.00 0.61 -0.69 0.00 0.00 178.15 178.82 2i4m n GLY 203 N 1.09 0.82 2.79 5.37 0.00 -0.79 -4.93 105.19 109.53 2i4m n GLY 203 Ca -0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2i4m n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4m n GLY 204 N 0.03 -2.19 0.00 -0.02 0.00 -1.26 -4.55 105.19 97.19 2i4m n GLY 204 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2i4m n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i4m n ASP 205 N -0.27 0.03 -4.43 1.61 8.00 -1.14 -4.79 116.55 115.56 2i4m n ASP 205 Ca 0.00 -0.50 -0.33 0.00 0.71 0.00 0.00 54.79 54.67 2i4m n ASP 205 Cb 0.01 0.94 -0.14 0.00 -0.02 0.00 0.00 41.12 41.91 2i4m n ASP 205 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2i4m s LEU 206 N -1.87 2.79 0.01 0.64 0.20 -1.21 -5.03 118.68 114.21 2i4m s LEU 206 Ca 0.00 -0.25 -0.26 0.00 0.69 0.00 0.00 54.13 54.31 2i4m s LEU 206 Cb 0.00 -1.61 0.06 0.00 -0.43 0.00 0.00 46.19 44.21 2i4m s LEU 206 CO 0.00 0.24 0.60 -0.55 -0.29 0.00 0.00 176.35 176.35 2i4m s SER 207 N -0.10 -0.55 0.03 3.68 0.15 -1.26 -0.13 113.70 115.53 2i4m s SER 207 Ca -0.01 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.05 2i4m s SER 207 Cb -0.14 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2i4m s SER 207 CO 0.03 -0.69 -0.05 -1.00 1.20 0.00 0.00 173.24 172.74 2i4m s HIS 208 N -1.98 0.45 -0.06 3.44 3.76 -0.65 -3.28 115.29 116.98 2i4m s HIS 208 Ca -0.08 -0.54 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 2i4m s HIS 208 Cb -0.01 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 2i4m s HIS 208 CO 0.03 -0.15 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.37 2i4m s GLU 209 N -1.61 2.58 -0.37 1.40 2.02 -0.05 -1.71 118.70 120.95 2i4m s GLU 209 Ca -0.12 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 2i4m s GLU 209 Cb -0.09 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2i4m s GLU 209 CO -0.01 0.50 0.43 -0.06 0.02 0.00 0.00 175.26 176.14 2i4m s PHE 210 N -0.43 3.18 -0.04 1.61 0.08 0.11 -0.56 117.98 121.93 2i4m s PHE 210 Ca 0.05 -0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.07 2i4m s PHE 210 Cb -0.12 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 2i4m s PHE 210 CO 0.02 -0.56 -0.22 0.42 -0.10 0.00 0.00 175.22 174.77 2i4m s ILE 211 N 2.17 1.83 -0.36 0.64 1.01 0.29 -1.50 121.20 125.29 2i4m s ILE 211 Ca 0.14 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2i4m s ILE 211 Cb -0.16 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 2i4m s ILE 211 CO 0.13 0.52 0.37 -0.69 0.00 0.00 0.00 174.94 175.27 2i4m s VAL 212 N -0.19 5.16 0.39 2.92 1.01 0.39 0.22 120.40 130.29 2i4m s VAL 212 Ca -0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 2i4m s VAL 212 Cb -0.12 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 2i4m s VAL 212 CO 0.02 -0.17 1.27 0.18 0.00 0.00 0.00 175.10 176.40 2i4m n LEU 213 N 5.41 3.78 -3.65 3.92 4.77 -1.26 -0.67 117.00 129.30 2i4m n LEU 213 Ca -0.09 1.14 -0.00 0.00 -0.03 0.00 0.00 56.01 57.03 2i4m n LEU 213 Cb 0.49 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 2i4m n LEU 213 CO 0.41 -0.62 0.96 0.00 -1.33 0.00 0.00 177.39 176.81 2i4m s ALA 214 N -1.16 -2.47 0.28 -1.18 0.00 0.38 -4.81 121.76 112.80 2i4m s ALA 214 Ca 0.59 1.96 0.02 0.00 0.00 0.00 0.00 51.96 54.53 2i4m s ALA 214 Cb -0.53 -1.87 0.68 0.00 0.00 0.00 0.00 23.12 21.40 2i4m s ALA 214 CO 0.60 -0.27 1.69 1.05 0.00 0.00 0.00 175.76 178.82 2i4m h GLU 215 N 4.87 0.35 -1.00 0.00 4.11 -1.94 -1.44 114.58 119.53 2i4m h GLU 215 Ca -0.27 -0.02 -0.40 0.00 0.07 0.00 0.00 59.36 58.74 2i4m h GLU 215 Cb 1.17 -0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 2i4m h GLU 215 CO 0.21 0.23 0.50 0.25 0.07 0.00 0.00 179.01 180.28 2i4m n THR 216 N -5.08 2.69 -2.97 -1.06 -2.24 -1.26 -4.83 114.28 99.53 2i4m n THR 216 Ca 0.21 -1.46 -0.33 0.00 -2.27 0.00 0.00 64.05 60.19 2i4m n THR 216 Cb 0.62 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 2i4m n THR 216 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2i4m s GLY 217 N -0.76 2.42 0.00 3.38 0.00 -0.56 -4.94 107.32 106.87 2i4m s GLY 217 Ca 0.44 0.25 0.21 0.00 0.00 0.00 0.00 44.72 45.61 2i4m s GLY 217 CO 0.08 0.52 1.45 1.18 0.00 0.00 0.00 173.10 176.33 2i4m n GLU 218 N -0.31 2.34 -5.02 2.90 1.02 -1.08 -4.39 120.64 116.09 2i4m n GLU 218 Ca 0.04 -2.04 -0.32 0.00 -0.02 0.00 0.00 57.16 54.82 2i4m n GLU 218 Cb 0.53 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 2i4m n GLU 218 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2i4m s SER 219 N -1.34 3.61 -0.25 1.62 0.01 -0.96 -5.00 113.70 111.39 2i4m s SER 219 Ca 0.38 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 2i4m s SER 219 Cb 0.21 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 2i4m s SER 219 CO 0.29 0.25 0.50 -0.83 0.41 0.00 0.00 173.24 173.87 2i4m s GLY 220 N -0.17 1.90 0.19 3.44 0.00 -1.26 -2.08 107.32 109.34 2i4m s GLY 220 Ca -0.02 -0.57 0.11 0.00 0.00 0.00 0.00 44.72 44.24 2i4m s GLY 220 CO 0.03 1.17 -0.23 -1.34 0.00 0.00 0.00 173.10 172.74 2i4m s VAL 221 N 2.11 2.45 -0.18 1.40 -7.23 -0.10 0.23 120.40 119.07 2i4m s VAL 221 Ca 0.21 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2i4m s VAL 221 Cb -0.16 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.67 2i4m s VAL 221 CO 0.09 -0.10 0.04 -0.31 -0.31 0.00 0.00 175.10 174.51 2i4m s TYR 222 N -1.63 0.94 0.12 2.82 2.02 -0.52 -1.45 117.35 119.65 2i4m s TYR 222 Ca 0.21 -0.77 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2i4m s TYR 222 Cb -0.08 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 2i4m s TYR 222 CO 0.10 -0.58 -0.09 0.96 -1.57 0.00 0.00 175.55 174.37 2i4m s ILE 223 N 1.89 0.95 -0.21 2.71 -5.25 -0.54 -2.46 121.20 118.29 2i4m s ILE 223 Ca -0.00 -1.98 -0.22 0.00 -0.99 0.00 0.00 60.65 57.45 2i4m s ILE 223 Cb -0.17 -1.75 -0.02 0.00 2.95 0.00 0.00 42.46 43.48 2i4m s ILE 223 CO -0.08 -0.79 0.71 -0.62 -1.79 0.00 0.00 174.94 172.37 2i4m s ASP 224 N -3.08 6.75 0.48 4.36 2.15 -0.33 -0.66 116.67 126.34 2i4m s ASP 224 Ca 0.14 0.92 0.34 0.00 0.43 0.00 0.00 52.55 54.38 2i4m s ASP 224 Cb 0.03 -2.38 1.47 0.00 -0.30 0.00 0.00 42.92 41.73 2i4m s ASP 224 CO -0.02 -0.36 1.67 0.03 -0.17 0.00 0.00 175.17 176.33 2i4m h ARG 225 N 7.56 0.10 -1.02 4.34 3.08 -1.42 -2.38 114.38 124.62 2i4m h ARG 225 Ca -0.29 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.02 2i4m h ARG 225 Cb 1.13 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.04 2i4m h ARG 225 CO 0.80 0.06 0.62 -0.44 -1.07 0.00 0.00 179.97 179.95 2i4m h ASP 226 N 0.10 0.59 -0.85 7.04 3.32 -1.93 0.62 116.42 125.31 2i4m h ASP 226 Ca 0.76 0.12 0.24 0.00 0.02 0.00 0.00 57.03 58.17 2i4m h ASP 226 Cb 2.59 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 42.13 2i4m h ASP 226 CO -0.23 0.08 0.60 1.62 -1.72 0.00 0.00 179.24 179.60 2i4m h VAL 227 N 0.50 0.59 0.00 -1.35 3.04 -1.80 -0.54 116.25 116.70 2i4m h VAL 227 Ca 0.64 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.31 2i4m h VAL 227 Cb 1.36 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2i4m h VAL 227 CO -0.43 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 176.32 2i4m n LEU 228 N -4.31 0.00 0.00 3.16 4.77 0.22 -2.81 117.00 118.02 2i4m n LEU 228 Ca 0.17 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2i4m n LEU 228 Cb 0.89 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 2i4m n LEU 228 CO 0.38 -0.07 0.36 0.59 -1.33 0.00 0.00 177.39 177.32 2i4m n ASN 229 N -1.12 1.21 -4.77 -1.43 4.13 -0.21 -5.07 115.26 108.00 2i4m n ASN 229 Ca 0.09 -1.51 -0.37 0.00 1.68 0.00 0.00 54.58 54.47 2i4m n ASN 229 Cb 0.08 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2i4m n ASN 229 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2i4m s LEU 230 N -0.51 3.93 0.35 3.41 1.43 -1.13 -5.01 118.68 121.16 2i4m s LEU 230 Ca 0.00 2.29 -0.25 0.00 -1.03 0.00 0.00 54.13 55.14 2i4m s LEU 230 Cb 0.00 -4.34 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 2i4m s LEU 230 CO 0.00 -1.03 0.96 -2.16 0.23 0.00 0.00 176.35 174.34 2i4m s PRO 231 N -2.87 4.48 -0.19 1.29 0.04 -1.26 -5.05 135.00 131.43 2i4m s PRO 231 Ca 0.67 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 2i4m s PRO 231 Cb -0.28 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 2i4m s PRO 231 CO 0.33 0.18 0.21 0.08 0.04 0.00 0.00 177.00 177.85 2i4m s VAL 232 N -1.72 5.35 0.36 -0.36 1.01 -1.26 -5.06 120.40 118.71 2i4m s VAL 232 Ca 0.53 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 2i4m s VAL 232 Cb -0.17 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 2i4m s VAL 232 CO 0.22 0.40 1.06 -2.65 0.00 0.00 0.00 175.10 174.13 2i4m n PRO 233 N 3.70 1.50 -2.16 2.72 -0.02 -1.26 -5.00 135.00 134.49 2i4m n PRO 233 Ca -0.14 0.53 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 2i4m n PRO 233 Cb 0.52 -2.02 0.16 0.00 -0.02 0.00 0.00 33.50 32.14 2i4m n PRO 233 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2i4m s ASP 234 N -0.59 3.46 0.05 2.55 1.47 -1.26 -4.79 116.67 117.56 2i4m s ASP 234 Ca 0.60 0.02 0.03 0.00 1.18 0.00 0.00 52.55 54.37 2i4m s ASP 234 Cb -0.61 -0.14 0.15 0.00 -0.34 0.00 0.00 42.92 41.98 2i4m s ASP 234 CO 0.59 -2.49 1.00 -1.84 0.68 0.00 0.00 175.17 173.11 2i4m n GLU 235 N -3.48 0.02 -0.14 2.11 0.28 -1.26 -1.96 120.64 116.22 2i4m n GLU 235 Ca 0.16 0.44 0.05 0.00 -0.16 0.00 0.00 57.16 57.64 2i4m n GLU 235 Cb 0.60 -1.66 0.13 0.00 1.43 0.00 0.00 31.44 31.93 2i4m n GLU 235 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2i4m n ASN 236 N -1.53 2.72 -4.59 -1.84 5.03 -1.26 -4.99 115.26 108.80 2i4m n ASN 236 Ca -0.00 -1.93 -0.50 0.00 0.87 0.00 0.00 54.58 53.02 2i4m n ASN 236 Cb 0.11 -0.18 -0.05 0.00 -1.02 0.00 0.00 39.78 38.64 2i4m n ASN 236 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2i4m n VAL 237 N 0.43 0.53 -3.02 2.41 3.14 -0.83 -4.92 118.33 116.08 2i4m n VAL 237 Ca 0.10 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 60.91 2i4m n VAL 237 Cb 0.39 -0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 32.23 2i4m n VAL 237 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2i4m s ASP 238 N 0.22 6.30 0.53 6.55 2.15 -1.26 -4.91 116.67 126.25 2i4m s ASP 238 Ca 0.77 -0.53 0.32 0.00 0.43 0.00 0.00 52.55 53.54 2i4m s ASP 238 Cb -0.88 -2.35 1.28 0.00 -0.30 0.00 0.00 42.92 40.67 2i4m s ASP 238 CO 0.50 -0.98 1.95 1.88 -0.17 0.00 0.00 175.17 178.35 2i4m h TYR 239 N 9.08 0.00 0.00 -5.34 0.05 -1.91 -1.25 116.97 117.60 2i4m h TYR 239 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2i4m h TYR 239 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2i4m h TYR 239 CO 0.80 0.04 -0.34 -0.25 -1.05 0.00 0.00 178.16 177.37 2i4m n ASP 240 N -3.15 0.54 -4.34 3.88 8.00 -1.26 -4.90 116.55 115.31 2i4m n ASP 240 Ca 0.01 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 2i4m n ASP 240 Cb 0.33 -0.16 0.22 0.00 -0.02 0.00 0.00 41.12 41.49 2i4m n ASP 240 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2i4m s GLY 241 N -3.35 1.55 -0.41 0.44 0.00 -0.47 -4.95 107.32 100.12 2i4m s GLY 241 Ca 0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 2i4m s GLY 241 CO 0.65 0.23 1.26 -0.35 0.00 0.00 0.00 173.10 174.90 2i4m s ASP 242 N -3.34 6.55 0.00 1.64 2.15 -1.26 -4.88 116.67 117.53 2i4m s ASP 242 Ca 0.68 0.76 0.28 0.00 0.43 0.00 0.00 52.55 54.70 2i4m s ASP 242 Cb -0.18 -2.54 1.12 0.00 -0.30 0.00 0.00 42.92 41.02 2i4m s ASP 242 CO 0.59 -1.27 1.80 0.18 -0.17 0.00 0.00 175.17 176.30 2i4m n LEU 243 N 8.11 0.55 -0.25 -1.34 4.77 -1.26 -4.40 117.00 123.18 2i4m n LEU 243 Ca 0.14 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 2i4m n LEU 243 Cb 0.48 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2i4m n LEU 243 CO 0.69 0.10 0.49 0.74 -1.33 0.00 0.00 177.39 178.08 2i4m h THR 244 N 0.64 0.00 -0.82 -5.08 2.02 -1.99 -1.59 112.91 106.09 2i4m h THR 244 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2i4m h THR 244 Cb 0.39 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.65 2i4m h THR 244 CO 0.00 0.00 -0.04 -2.65 0.37 0.00 0.00 175.52 173.20 2i4m n PRO 245 N -5.12 -0.07 -0.03 6.66 -0.02 -1.26 -0.57 135.00 134.59 2i4m n PRO 245 Ca -0.01 1.25 -0.13 0.00 -2.02 0.00 0.00 63.50 62.59 2i4m n PRO 245 Cb 0.28 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 2i4m n PRO 245 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2i4m h ILE 246 N 0.00 1.31 0.11 4.25 2.04 -1.62 -1.92 117.51 121.68 2i4m h ILE 246 Ca 0.47 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2i4m h ILE 246 Cb 0.92 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 2i4m h ILE 246 CO -0.80 0.28 -0.44 0.40 0.00 0.00 0.00 178.15 177.59 2i4m h ILE 247 N -0.19 0.12 -0.97 -0.67 1.08 -1.02 -1.80 117.51 114.05 2i4m h ILE 247 Ca 0.02 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.63 2i4m h ILE 247 Cb 0.46 0.12 -0.08 0.00 -3.07 0.00 0.00 36.82 34.25 2i4m h ILE 247 CO 0.01 0.00 0.61 0.50 -0.69 0.00 0.00 178.15 178.58 2i4m h LYS 248 N -0.67 0.83 -0.51 2.37 3.11 -0.83 0.11 116.57 120.97 2i4m h LYS 248 Ca 0.02 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.70 2i4m h LYS 248 Cb 0.70 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 2i4m h LYS 248 CO -0.26 0.55 -0.12 0.37 -2.81 0.00 0.00 179.45 177.18 2i4m h GLN 249 N 0.86 0.96 -0.01 1.90 4.15 -0.99 -2.56 115.11 119.42 2i4m h GLN 249 Ca 0.50 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2i4m h GLN 249 Cb 0.64 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2i4m h GLN 249 CO -0.27 1.02 -0.11 0.91 -1.93 0.00 0.00 178.83 178.46 2i4m n TRP 250 N -4.14 0.00 -1.65 3.99 7.02 -0.01 -3.80 117.44 118.86 2i4m n TRP 250 Ca 0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.55 2i4m n TRP 250 Cb 0.40 -0.09 0.12 0.00 -2.42 0.00 0.00 31.31 29.32 2i4m n TRP 250 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2i4m n THR 251 N -0.55 1.36 0.13 -0.99 -2.24 0.16 -4.70 114.28 107.44 2i4m n THR 251 Ca 0.16 -2.00 0.06 0.00 -2.27 0.00 0.00 64.05 60.00 2i4m n THR 251 Cb 0.30 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 2i4m n THR 251 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2i4m n SER 252 N -0.76 1.81 -4.82 3.42 3.41 -0.98 -4.92 113.62 110.78 2i4m n SER 252 Ca 0.13 -0.19 -0.34 0.00 -0.26 0.00 0.00 58.87 58.21 2i4m n SER 252 Cb 0.75 1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 66.06 2i4m n SER 252 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2i4m s VAL 253 N -2.68 4.98 0.14 -3.33 -7.23 -1.26 -5.06 120.40 105.97 2i4m s VAL 253 Ca -0.02 -0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 59.61 2i4m s VAL 253 Cb 0.08 -3.25 -0.10 0.00 0.56 0.00 0.00 36.38 33.67 2i4m s VAL 253 CO 0.50 0.43 1.71 -0.47 -0.31 0.00 0.00 175.10 176.96 2i4m s TYR 254 N -1.16 2.59 -0.19 2.82 5.04 -1.26 -4.90 117.35 120.29 2i4m s TYR 254 Ca 0.21 0.27 -0.07 0.00 -2.44 0.00 0.00 57.07 55.05 2i4m s TYR 254 Cb -0.12 -4.08 0.08 0.00 0.35 0.00 0.00 41.96 38.20 2i4m s TYR 254 CO 0.12 -4.23 0.40 0.00 -1.34 0.00 0.00 175.55 170.49 2i4m s ALA 255 N 1.98 -1.06 -0.14 3.97 0.00 -1.26 -1.19 121.76 124.05 2i4m s ALA 255 Ca 0.76 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 54.01 2i4m s ALA 255 Cb -0.45 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 21.47 2i4m s ALA 255 CO 0.33 -0.69 0.38 0.00 0.00 0.00 0.00 175.76 175.79 2i4m s ALA 256 N 2.45 -0.94 0.63 0.00 0.00 -1.03 -2.61 121.76 120.26 2i4m s ALA 256 Ca -0.02 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 2i4m s ALA 256 Cb -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 2i4m s ALA 256 CO -0.12 -0.18 1.04 0.95 0.00 0.00 0.00 175.76 177.44 2i4m s THR 257 N 0.25 4.57 0.61 0.00 -4.23 -1.13 -1.44 115.64 114.28 2i4m s THR 257 Ca -0.00 0.83 0.31 0.00 -1.18 0.00 0.00 61.69 61.64 2i4m s THR 257 Cb -0.03 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.35 2i4m s THR 257 CO -0.00 -1.09 2.11 1.05 -0.54 0.00 0.00 174.62 176.15 2i4m h GLU 258 N -0.35 0.00 0.00 3.99 4.11 -0.58 -0.69 114.58 121.05 2i4m h GLU 258 Ca -0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.95 2i4m h GLU 258 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2i4m h GLU 258 CO 0.62 0.00 -0.18 -0.44 0.07 0.00 0.00 179.01 179.08 2i4m h ASP 259 N 0.00 0.00 0.00 3.06 3.32 -1.92 -3.26 116.42 117.62 2i4m h ASP 259 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2i4m h ASP 259 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2i4m h ASP 259 CO -0.00 0.18 0.00 1.33 -1.72 0.00 0.00 179.24 179.03 2i4m n VAL 260 N -4.21 0.10 -1.62 -1.35 0.24 -0.73 -5.01 118.33 105.76 2i4m n VAL 260 Ca -0.02 -0.35 -0.46 0.00 -2.04 0.00 0.00 64.34 61.47 2i4m n VAL 260 Cb 0.25 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 2i4m n VAL 260 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2i4m n HIS 261 N -0.05 1.62 -3.81 6.34 -0.00 -0.34 -4.94 115.22 114.05 2i4m n HIS 261 Ca 0.00 0.60 -0.29 0.00 -0.00 0.00 0.00 57.72 58.04 2i4m n HIS 261 Cb 0.14 -2.34 -0.16 0.00 -0.00 0.00 0.00 29.99 27.64 2i4m n HIS 261 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2i4m s GLU 262 N -0.81 1.00 0.45 1.57 0.41 -1.26 -5.03 118.70 115.02 2i4m s GLU 262 Ca 0.66 -0.67 0.17 0.00 -0.41 0.00 0.00 54.97 54.72 2i4m s GLU 262 Cb -0.73 -2.28 1.05 0.00 -1.78 0.00 0.00 34.13 30.39 2i4m s GLU 262 CO 0.54 -0.65 1.98 -1.35 -0.49 0.00 0.00 175.26 175.30 2i4m h PRO 263 N 8.13 0.00 0.15 0.39 0.11 -1.98 -0.83 132.00 137.96 2i4m h PRO 263 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2i4m h PRO 263 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2i4m h PRO 263 CO 0.37 0.20 -0.08 0.00 -0.21 0.00 0.00 178.00 178.28 2i4m h ALA 264 N 1.80 -0.21 -0.67 -0.75 0.00 -2.00 -1.17 119.26 116.28 2i4m h ALA 264 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2i4m h ALA 264 Cb 0.37 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2i4m h ALA 264 CO 0.03 -0.62 0.31 -0.09 0.00 0.00 0.00 179.25 178.88 2i4m h ARG 265 N -0.21 0.96 0.13 0.00 2.43 -1.78 -1.27 114.38 114.64 2i4m h ARG 265 Ca -0.02 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2i4m h ARG 265 Cb 0.17 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2i4m h ARG 265 CO 0.02 0.77 -0.44 -0.92 -1.51 0.00 0.00 179.97 177.90 2i4m h TYR 266 N 0.92 -1.24 -0.51 2.20 3.20 -0.96 -2.70 116.97 117.89 2i4m h TYR 266 Ca 0.23 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2i4m h TYR 266 Cb 0.13 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2i4m h TYR 266 CO 0.00 -0.54 0.04 0.93 -1.64 0.00 0.00 178.16 176.96 2i4m h GLU 267 N -0.68 0.87 -0.96 1.82 5.08 -1.10 0.03 114.58 119.63 2i4m h GLU 267 Ca 0.02 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2i4m h GLU 267 Cb 0.70 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2i4m h GLU 267 CO -0.24 0.88 0.08 -1.13 -1.00 0.00 0.00 179.01 177.59 2i4m n SER 268 N -4.36 2.66 0.00 1.42 3.41 -0.49 -3.86 113.62 112.41 2i4m n SER 268 Ca 0.01 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 2i4m n SER 268 Cb 0.29 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2i4m n SER 268 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i4m n GLU 269 N 0.15 0.00 -3.67 4.33 1.02 -1.02 -4.97 120.64 116.47 2i4m n GLU 269 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 2i4m n GLU 269 Cb 0.62 -0.35 -0.10 0.00 -0.02 0.00 0.00 31.44 31.59 2i4m n GLU 269 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i4m s VAL 270 N -1.19 5.25 0.65 2.62 1.01 -0.03 -4.98 120.40 123.74 2i4m s VAL 270 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2i4m s VAL 270 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2i4m s VAL 270 CO 0.00 0.33 1.20 -2.16 0.00 0.00 0.00 175.10 174.48 2i4m s PRO 271 N 1.20 2.63 0.16 2.72 0.04 -1.26 -4.73 135.00 135.76 2i4m s PRO 271 Ca 0.07 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2i4m s PRO 271 Cb -0.14 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2i4m s PRO 271 CO 0.06 -1.46 1.49 -1.91 0.04 0.00 0.00 177.00 175.21 2i4m n GLU 272 N -2.09 -0.42 0.00 4.56 4.07 -1.26 -1.91 120.64 123.59 2i4m n GLU 272 Ca 0.13 1.46 0.09 0.00 -0.06 0.00 0.00 57.16 58.78 2i4m n GLU 272 Cb 0.50 -2.15 0.45 0.00 -0.06 0.00 0.00 31.44 30.18 2i4m n GLU 272 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i4m n ALA 273 N -3.28 1.95 -0.03 4.31 0.00 -1.26 -2.75 120.51 119.45 2i4m n ALA 273 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.43 2i4m n ALA 273 Cb 0.25 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 2i4m n ALA 273 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i4m n ASN 274 N -1.36 0.58 -4.59 0.00 4.13 -0.80 -4.96 115.26 108.26 2i4m n ASN 274 Ca 0.07 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 2i4m n ASN 274 Cb 0.17 1.62 -0.03 0.00 -1.54 0.00 0.00 39.78 40.00 2i4m n ASN 274 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2i4m s ARG 275 N -3.09 2.96 -0.29 3.52 0.52 -1.09 -1.04 118.95 120.45 2i4m s ARG 275 Ca -0.08 1.89 0.03 0.00 -0.52 0.00 0.00 55.73 57.05 2i4m s ARG 275 Cb 0.10 -4.40 0.07 0.00 0.52 0.00 0.00 34.95 31.24 2i4m s ARG 275 CO 0.78 -2.30 -0.05 -1.17 0.02 0.00 0.00 175.30 172.58 2i4m s LEU 276 N 8.91 3.86 -0.13 2.53 2.96 0.17 -4.98 118.68 132.00 2i4m s LEU 276 Ca 0.99 -1.59 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 2i4m s LEU 276 Cb -0.30 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2i4m s LEU 276 CO 0.33 -0.25 0.58 0.21 -1.32 0.00 0.00 176.35 175.91 2i4m s ASN 277 N 1.09 6.77 0.33 3.68 3.04 -1.26 -1.47 114.94 127.11 2i4m s ASN 277 Ca -0.03 0.92 -0.18 0.00 0.04 0.00 0.00 52.86 53.61 2i4m s ASN 277 Cb -0.20 -2.34 0.06 0.00 -1.54 0.00 0.00 41.25 37.23 2i4m s ASN 277 CO -0.05 -0.11 0.85 0.28 -3.04 0.00 0.00 177.10 175.02 2i4m s THR 278 N 1.05 0.00 0.48 -5.21 -1.32 -0.53 -5.02 115.64 105.09 2i4m s THR 278 Ca 0.30 -0.90 0.08 0.00 -1.21 0.00 0.00 61.69 59.97 2i4m s THR 278 Cb -0.16 -2.80 0.03 0.00 -1.51 0.00 0.00 72.50 68.06 2i4m s THR 278 CO 0.13 0.00 0.60 -0.13 -2.21 0.00 0.00 174.62 173.01 2i4m s ARG 279 N -2.40 2.58 -0.07 7.08 1.81 -1.26 -0.93 118.95 125.77 2i4m s ARG 279 Ca 0.17 -1.47 -0.31 0.00 -1.72 0.00 0.00 55.73 52.40 2i4m s ARG 279 Cb -0.04 -2.62 0.12 0.00 -0.45 0.00 0.00 34.95 31.95 2i4m s ARG 279 CO 0.09 -0.47 1.37 0.20 -0.68 0.00 0.00 175.30 175.81 2i4m s GLY 280 N -4.41 -0.32 -0.13 -3.53 0.00 -0.88 -0.47 107.32 97.57 2i4m s GLY 280 Ca 0.55 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.76 2i4m s GLY 280 CO 0.33 3.46 -0.18 -0.42 0.00 0.00 0.00 173.10 176.29 2i4m s ILE 281 N -2.07 2.49 -0.21 0.90 1.01 0.16 -2.27 121.20 121.21 2i4m s ILE 281 Ca 0.23 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2i4m s ILE 281 Cb 0.03 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2i4m s ILE 281 CO -0.04 0.53 1.10 -0.70 0.00 0.00 0.00 174.94 175.83 2i4m s GLU 282 N 0.57 4.25 0.00 2.79 2.12 -1.26 -0.46 118.70 126.71 2i4m s GLU 282 Ca -0.11 1.43 0.07 0.00 0.36 0.00 0.00 54.97 56.73 2i4m s GLU 282 Cb -0.16 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 2i4m s GLU 282 CO 0.04 -0.65 0.49 1.33 -0.54 0.00 0.00 175.26 175.93 2i4m n VAL 283 N 5.34 0.00 -3.59 3.70 0.24 -0.56 -4.89 118.33 118.56 2i4m n VAL 283 Ca 0.12 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.34 61.85 2i4m n VAL 283 Cb 0.46 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 2i4m n VAL 283 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2i4m s GLY 284 N -1.19 -0.48 -0.13 7.63 0.00 -1.16 -1.20 107.32 110.79 2i4m s GLY 284 Ca 0.05 1.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.91 2i4m s GLY 284 CO 0.20 0.94 0.34 1.62 0.00 0.00 0.00 173.10 176.20 2i4m s GLN 285 N -0.87 0.38 -0.07 2.90 0.74 -0.01 0.05 119.66 122.78 2i4m s GLN 285 Ca -0.09 0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.87 2i4m s GLN 285 Cb -0.02 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.24 2i4m s GLN 285 CO 0.07 -0.07 -0.15 0.96 -0.55 0.00 0.00 175.29 175.54 2i4m s ILE 286 N 0.43 1.38 -0.04 -2.34 -4.36 -0.70 -0.77 121.20 114.80 2i4m s ILE 286 Ca -0.02 -0.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.80 2i4m s ILE 286 Cb -0.04 -1.23 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 2i4m s ILE 286 CO -0.02 0.41 -0.17 -0.36 0.24 0.00 0.00 174.94 175.04 2i4m s PHE 287 N 0.59 1.66 -0.21 1.37 0.40 0.22 -1.64 117.98 120.38 2i4m s PHE 287 Ca -0.16 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.67 2i4m s PHE 287 Cb -0.16 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 2i4m s PHE 287 CO 0.05 -0.13 0.03 -0.47 0.70 0.00 0.00 175.22 175.39 2i4m s TYR 288 N -0.05 3.09 -0.06 0.36 5.04 0.82 0.60 117.35 127.14 2i4m s TYR 288 Ca -0.02 -0.33 0.09 0.00 -2.44 0.00 0.00 57.07 54.37 2i4m s TYR 288 Cb -0.10 -2.12 0.13 0.00 0.35 0.00 0.00 41.96 40.22 2i4m s TYR 288 CO 0.01 -0.18 1.02 1.97 -1.34 0.00 0.00 175.55 177.03 2i4m n PHE 289 N 4.24 0.00 0.00 4.97 1.16 -0.98 -2.89 117.46 123.96 2i4m n PHE 289 Ca -0.17 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 54.82 2i4m n PHE 289 Cb 0.52 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.30 2i4m n PHE 289 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2i4m n GLY 290 N -0.79 2.68 1.09 4.97 0.00 -1.05 -2.08 105.19 110.01 2i4m n GLY 290 Ca 0.07 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2i4m n GLY 290 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i4m n THR 291 N 0.00 2.12 -0.16 2.61 -2.24 -1.26 -1.17 114.28 114.18 2i4m n THR 291 Ca 0.00 -1.60 -0.07 0.00 -2.27 0.00 0.00 64.05 60.11 2i4m n THR 291 Cb 0.00 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2i4m n THR 291 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2i4m h LYS 292 N 2.44 -0.21 0.01 -0.78 3.64 -1.75 -1.12 116.57 118.79 2i4m h LYS 292 Ca 0.00 0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.08 2i4m h LYS 292 Cb 1.43 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.24 2i4m h LYS 292 CO 0.23 -0.14 -1.87 0.66 -2.27 0.00 0.00 179.45 176.06 2i4m n TYR 293 N -5.42 0.80 -0.00 1.91 4.01 -1.26 -3.77 117.16 113.43 2i4m n TYR 293 Ca 0.02 0.28 -0.05 0.00 -0.16 0.00 0.00 57.90 57.99 2i4m n TYR 293 Cb 0.35 -1.15 0.15 0.00 -0.31 0.00 0.00 39.34 38.38 2i4m n TYR 293 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2i4m h SER 294 N 0.00 0.55 0.00 7.72 4.64 -1.79 -1.26 113.55 123.41 2i4m h SER 294 Ca -0.35 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2i4m h SER 294 Cb 2.06 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 2i4m h SER 294 CO 0.07 0.84 0.00 0.47 -0.87 0.00 0.00 176.83 177.34 2i4m n ASP 295 N -4.07 0.00 0.27 4.97 8.00 -0.44 0.27 116.55 125.56 2i4m n ASP 295 Ca -0.01 0.73 0.18 0.00 0.71 0.00 0.00 54.79 56.40 2i4m n ASP 295 Cb 0.46 -0.23 0.94 0.00 -0.02 0.00 0.00 41.12 42.28 2i4m n ASP 295 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2i4m h SER 296 N 0.00 0.00 -0.01 -2.24 4.64 -1.65 -1.89 113.55 112.40 2i4m h SER 296 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i4m h SER 296 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2i4m h SER 296 CO 0.00 0.00 -0.49 0.23 -0.87 0.00 0.00 176.83 175.70 2i4m n MET 297 N -3.51 1.60 -2.84 4.77 2.81 -0.48 -4.85 117.12 114.62 2i4m n MET 297 Ca -0.01 -0.58 -0.11 0.00 -1.81 0.00 0.00 57.70 55.19 2i4m n MET 297 Cb 0.22 -1.30 0.06 0.00 -0.71 0.00 0.00 33.22 31.49 2i4m n MET 297 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2i4m n LYS 298 N -0.51 -2.99 -3.01 0.03 4.01 0.77 -4.96 118.16 111.51 2i4m n LYS 298 Ca 0.06 0.60 -0.44 0.00 -0.51 0.00 0.00 58.31 58.02 2i4m n LYS 298 Cb 0.33 -4.66 0.01 0.00 -0.51 0.00 0.00 35.03 30.19 2i4m n LYS 298 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2i4m n ALA 299 N -2.92 4.84 -2.90 7.82 0.00 0.14 -4.99 120.51 122.51 2i4m n ALA 299 Ca -0.12 -4.66 -0.27 0.00 0.00 0.00 0.00 53.44 48.38 2i4m n ALA 299 Cb 0.60 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2i4m n ALA 299 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2i4m s ASN 300 N -0.22 6.36 0.02 0.00 0.02 -1.26 -1.64 114.94 118.22 2i4m s ASN 300 Ca 0.33 0.25 0.04 0.00 -1.02 0.00 0.00 52.86 52.46 2i4m s ASN 300 Cb 0.01 -1.95 -0.02 0.00 0.02 0.00 0.00 41.25 39.31 2i4m s ASN 300 CO 0.03 0.05 -0.14 0.68 0.02 0.00 0.00 177.10 177.75 2i4m s VAL 301 N -1.72 1.07 0.19 1.60 -7.23 -0.81 -4.68 120.40 108.81 2i4m s VAL 301 Ca 0.36 -0.82 -0.32 0.00 -1.81 0.00 0.00 61.98 59.39 2i4m s VAL 301 Cb -0.11 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 35.77 2i4m s VAL 301 CO 0.28 0.12 1.65 -0.89 -0.31 0.00 0.00 175.10 175.95 2i4m s THR 302 N -0.64 2.32 0.67 5.32 2.01 0.15 -2.89 115.64 122.58 2i4m s THR 302 Ca 0.03 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 2i4m s THR 302 Cb -0.07 -3.14 0.14 0.00 0.01 0.00 0.00 72.50 69.44 2i4m s THR 302 CO 0.01 0.02 0.92 0.61 -0.69 0.00 0.00 174.62 175.48 2i4m n GLY 303 N 3.88 0.07 0.19 4.40 0.00 0.23 -0.44 105.19 113.52 2i4m n GLY 303 Ca 0.15 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2i4m n GLY 303 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i4m h PRO 304 N 0.00 -0.32 0.00 1.61 0.11 -1.95 -2.36 132.00 129.10 2i4m h PRO 304 Ca -0.30 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2i4m h PRO 304 Cb 1.02 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2i4m h PRO 304 CO 0.29 -0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 177.46 2i4m n ASP 305 N -5.27 0.00 0.00 -2.05 5.68 -1.26 -4.75 116.55 108.90 2i4m n ASP 305 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2i4m n ASP 305 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2i4m n ASP 305 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i4m n GLY 306 N -0.92 1.43 3.79 6.12 0.00 -0.89 -5.03 105.19 109.69 2i4m n GLY 306 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2i4m n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4m s THR 307 N -3.18 3.78 -0.09 2.61 2.01 -1.26 -4.68 115.64 114.84 2i4m s THR 307 Ca 0.00 1.31 -0.13 0.00 0.31 0.00 0.00 61.69 63.18 2i4m s THR 307 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2i4m s THR 307 CO 0.00 -0.05 0.31 -1.81 -0.69 0.00 0.00 174.62 172.38 2i4m s ASP 308 N -1.67 6.58 -0.04 3.53 -0.00 -1.26 0.77 116.67 124.58 2i4m s ASP 308 Ca 0.59 0.69 -0.15 0.00 -0.00 0.00 0.00 52.55 53.68 2i4m s ASP 308 Cb -0.20 -2.19 0.03 0.00 -0.00 0.00 0.00 42.92 40.56 2i4m s ASP 308 CO 0.25 0.25 0.33 0.00 -0.00 0.00 0.00 175.17 176.00 2i4m s ALA 309 N -0.44 -0.82 0.26 5.23 0.00 -1.14 -4.97 121.76 119.87 2i4m s ALA 309 Ca 0.19 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 2i4m s ALA 309 Cb -0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 23.12 22.79 2i4m s ALA 309 CO 0.08 -0.24 1.38 -0.35 0.00 0.00 0.00 175.76 176.63 2i4m n PRO 310 N 1.59 2.05 -1.57 0.00 -0.04 -1.26 -1.92 135.00 133.85 2i4m n PRO 310 Ca -0.20 0.73 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 2i4m n PRO 310 Cb 0.56 -2.37 0.07 0.00 -0.04 0.00 0.00 33.50 31.72 2i4m n PRO 310 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2i4m s ILE 311 N -0.25 3.02 -0.24 0.52 -5.25 -0.65 -4.90 121.20 113.45 2i4m s ILE 311 Ca 0.66 0.45 -0.12 0.00 -0.99 0.00 0.00 60.65 60.65 2i4m s ILE 311 Cb -0.63 -2.95 -0.05 0.00 2.95 0.00 0.00 42.46 41.78 2i4m s ILE 311 CO 0.52 -0.32 0.22 -1.00 -1.79 0.00 0.00 174.94 172.57 2i4m s HIS 312 N -2.37 3.30 0.43 1.37 3.76 0.11 -4.27 115.29 117.63 2i4m s HIS 312 Ca 0.67 0.28 0.06 0.00 -0.15 0.00 0.00 55.06 55.93 2i4m s HIS 312 Cb -0.22 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.06 2i4m s HIS 312 CO 0.45 -0.00 0.01 0.20 -0.85 0.00 0.00 174.74 174.55 2i4m s GLY 313 N 1.21 2.61 0.16 -2.22 0.00 -0.32 0.22 107.32 108.98 2i4m s GLY 313 Ca 0.10 -1.93 -0.14 0.00 0.00 0.00 0.00 44.72 42.74 2i4m s GLY 313 CO 0.06 -2.12 0.40 -0.32 0.00 0.00 0.00 173.10 171.13 2i4m s GLY 314 N -3.75 0.02 0.03 0.20 0.00 -1.09 -2.33 107.32 100.41 2i4m s GLY 314 Ca 0.29 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.65 2i4m s GLY 314 CO 0.15 -0.46 -0.06 -1.35 0.00 0.00 0.00 173.10 171.38 2i4m s SER 315 N -2.88 0.61 -0.06 1.64 1.04 0.20 -1.62 113.70 112.63 2i4m s SER 315 Ca 0.09 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 2i4m s SER 315 Cb 0.01 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2i4m s SER 315 CO -0.05 -0.19 0.11 -0.31 0.98 0.00 0.00 173.24 173.78 2i4m s TYR 316 N -1.20 -0.08 -0.04 5.02 2.02 -0.22 0.72 117.35 123.57 2i4m s TYR 316 Ca -0.10 0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.99 2i4m s TYR 316 Cb -0.09 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 2i4m s TYR 316 CO -0.00 -0.20 0.09 0.20 -1.57 0.00 0.00 175.55 174.07 2i4m s GLY 317 N 1.78 -0.04 -0.12 0.71 0.00 0.05 -0.49 107.32 109.21 2i4m s GLY 317 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2i4m s GLY 317 CO -0.05 0.40 -0.11 0.14 0.00 0.00 0.00 173.10 173.48 2i4m s VAL 318 N 0.35 1.25 -1.13 1.40 1.01 -0.18 -0.83 120.40 122.28 2i4m s VAL 318 Ca -0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2i4m s VAL 318 Cb -0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2i4m s VAL 318 CO -0.01 0.40 1.88 -0.83 0.00 0.00 0.00 175.10 176.54 2i4m s GLY 319 N 1.42 0.43 0.08 4.51 0.00 -0.34 -2.36 107.32 111.06 2i4m s GLY 319 Ca 0.01 -2.12 -0.28 0.00 0.00 0.00 0.00 44.72 42.33 2i4m s GLY 319 CO -0.06 3.38 1.68 -2.08 0.00 0.00 0.00 173.10 176.01 2i4m h VAL 320 N 6.38 0.63 -0.43 1.40 2.07 -1.64 0.17 116.25 124.83 2i4m h VAL 320 Ca 0.22 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.62 2i4m h VAL 320 Cb 0.95 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2i4m h VAL 320 CO 1.26 0.00 -0.22 0.77 0.02 0.00 0.00 177.57 179.41 2i4m h SER 321 N -0.49 0.88 -0.68 0.57 4.64 -1.83 -2.39 113.55 114.25 2i4m h SER 321 Ca -0.05 -0.32 0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2i4m h SER 321 Cb 0.38 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2i4m h SER 321 CO 0.07 1.06 0.45 -0.09 -0.87 0.00 0.00 176.83 177.46 2i4m h ARG 322 N 0.75 0.56 -0.21 4.77 2.43 -1.62 -2.58 114.38 118.47 2i4m h ARG 322 Ca 0.10 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2i4m h ARG 322 Cb 0.75 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2i4m h ARG 322 CO 0.06 0.37 0.15 -0.07 -1.51 0.00 0.00 179.97 178.97 2i4m h LEU 323 N 0.57 0.00 0.42 3.80 3.38 -0.11 -1.90 115.31 121.48 2i4m h LEU 323 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2i4m h LEU 323 Cb 0.46 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2i4m h LEU 323 CO -0.10 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.09 2i4m h LEU 324 N 0.00 -0.68 -0.49 1.67 4.07 -1.57 -0.07 115.31 118.25 2i4m h LEU 324 Ca 0.10 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.20 2i4m h LEU 324 Cb 0.41 0.21 -0.09 0.00 1.08 0.00 0.00 40.66 42.26 2i4m h LEU 324 CO -0.00 -0.42 -0.13 1.23 -1.08 0.00 0.00 178.44 178.04 2i4m h GLY 325 N -0.67 0.34 0.90 0.83 0.00 -1.53 -1.65 103.07 101.29 2i4m h GLY 325 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2i4m h GLY 325 CO 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 176.54 176.31 2i4m h ALA 326 N 1.47 -0.22 -0.57 3.60 0.00 -1.08 -1.65 119.26 120.81 2i4m h ALA 326 Ca 0.23 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2i4m h ALA 326 Cb 0.36 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2i4m h ALA 326 CO -0.50 -0.57 -0.31 0.82 0.00 0.00 0.00 179.25 178.68 2i4m h ILE 327 N -0.33 0.20 -0.86 0.00 2.04 -0.68 0.19 117.51 118.07 2i4m h ILE 327 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2i4m h ILE 327 Cb 0.25 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2i4m h ILE 327 CO 0.04 0.00 0.54 0.40 0.00 0.00 0.00 178.15 179.13 2i4m h ILE 328 N -0.15 1.08 -0.84 -0.67 2.04 -1.13 0.22 117.51 118.06 2i4m h ILE 328 Ca 0.23 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2i4m h ILE 328 Cb 0.54 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2i4m h ILE 328 CO -0.66 0.19 0.55 -0.33 0.00 0.00 0.00 178.15 177.89 2i4m h GLU 329 N 1.02 1.11 0.00 2.37 4.39 -0.07 -1.53 114.58 121.87 2i4m h GLU 329 Ca 0.36 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2i4m h GLU 329 Cb 0.11 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2i4m h GLU 329 CO -0.15 0.74 -0.18 0.00 -1.16 0.00 0.00 179.01 178.26 2i4m h ALA 330 N 1.47 0.91 -2.76 3.43 0.00 0.12 -3.43 119.26 118.99 2i4m h ALA 330 Ca 0.31 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 54.57 2i4m h ALA 330 Cb -0.12 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.27 2i4m h ALA 330 CO -0.06 0.08 -0.80 0.00 0.00 0.00 0.00 179.25 178.46 2i4m s HIS 332 N 1.06 -0.19 0.00 0.00 -0.00 -1.23 -2.01 115.29 112.92 2i4m s HIS 332 Ca 0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 55.06 55.12 2i4m s HIS 332 Cb -0.22 0.63 0.00 0.00 -0.00 0.00 0.00 32.58 32.99 2i4m s HIS 332 CO -0.06 -0.82 0.00 -0.40 -0.00 0.00 0.00 174.74 173.46 2i4m n ASP 333 N -0.43 0.00 0.08 7.38 5.68 -0.27 -4.90 116.55 124.09 2i4m n ASP 333 Ca -0.07 -0.70 0.21 0.00 -0.50 0.00 0.00 54.79 53.73 2i4m n ASP 333 Cb 0.61 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.32 2i4m n ASP 333 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2i4m h ASP 334 N 0.00 0.00 -0.02 -1.12 3.32 -2.02 -2.45 116.42 114.13 2i4m h ASP 334 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i4m h ASP 334 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2i4m h ASP 334 CO 0.00 0.00 -0.21 0.59 -1.72 0.00 0.00 179.24 177.90 2i4m n ASN 335 N -3.66 2.05 0.00 6.45 5.03 -1.26 -5.06 115.26 118.81 2i4m n ASN 335 Ca 0.08 -1.53 0.00 0.00 0.87 0.00 0.00 54.58 54.00 2i4m n ASN 335 Cb 0.66 0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 2i4m n ASN 335 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2i4m n GLY 336 N 1.13 0.60 3.81 7.41 0.00 -0.93 -2.64 105.19 114.56 2i4m n GLY 336 Ca 0.09 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2i4m n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 337 N -3.76 3.84 -0.47 -0.61 1.01 -0.91 -1.12 121.20 119.18 2i4m s ILE 337 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.48 2i4m s ILE 337 Cb 0.00 -3.36 0.20 0.00 0.01 0.00 0.00 42.46 39.31 2i4m s ILE 337 CO 0.00 -0.60 0.45 -0.38 0.00 0.00 0.00 174.94 174.41 2i4m n ILE 338 N -2.41 -0.32 -1.71 2.92 5.41 -0.85 -4.05 119.36 118.35 2i4m n ILE 338 Ca 0.08 -3.97 -0.43 0.00 1.00 0.00 0.00 62.75 59.43 2i4m n ILE 338 Cb 0.53 -1.86 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 2i4m n ILE 338 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2i4m n TRP 339 N 2.12 2.58 -2.10 1.39 7.02 -0.91 -4.74 117.44 122.79 2i4m n TRP 339 Ca 0.26 0.28 -0.40 0.00 -1.02 0.00 0.00 57.50 56.62 2i4m n TRP 339 Cb 0.47 -2.56 -0.01 0.00 -2.42 0.00 0.00 31.31 26.78 2i4m n TRP 339 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2i4m s PRO 340 N -0.11 4.15 0.38 -0.99 0.02 -1.26 -4.56 135.00 132.63 2i4m s PRO 340 Ca 0.68 2.17 0.21 0.00 0.02 0.00 0.00 61.00 64.08 2i4m s PRO 340 Cb -0.56 -2.90 1.25 0.00 0.02 0.00 0.00 34.50 32.31 2i4m s PRO 340 CO 0.46 -0.34 1.64 0.93 -0.33 0.00 0.00 177.00 179.35 2i4m h GLU 341 N 3.00 0.18 0.00 5.54 5.08 -1.94 -1.04 114.58 125.40 2i4m h GLU 341 Ca -0.49 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 2i4m h GLU 341 Cb 1.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2i4m h GLU 341 CO 0.64 0.12 -0.15 0.00 -1.00 0.00 0.00 179.01 178.62 2i4m h ALA 342 N 1.79 1.00 -0.00 3.43 0.00 -1.90 -2.94 119.26 120.64 2i4m h ALA 342 Ca 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2i4m h ALA 342 Cb 2.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2i4m h ALA 342 CO -0.57 0.19 -0.15 1.33 0.00 0.00 0.00 179.25 180.05 2i4m n VAL 343 N -3.27 0.00 -1.59 0.00 0.24 -0.44 -4.85 118.33 108.42 2i4m n VAL 343 Ca 0.01 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 2i4m n VAL 343 Cb 0.41 1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.86 2i4m n VAL 343 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i4m n ALA 344 N -0.38 -0.18 0.26 2.33 0.00 -0.91 -4.51 120.51 117.11 2i4m n ALA 344 Ca 0.03 0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.94 2i4m n ALA 344 Cb 0.14 -2.02 0.61 0.00 0.00 0.00 0.00 19.45 18.18 2i4m n ALA 344 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2i4m h PRO 345 N 1.75 0.00 -3.46 0.00 0.13 -1.89 -3.45 132.00 125.09 2i4m h PRO 345 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2i4m h PRO 345 Cb 1.34 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.33 2i4m h PRO 345 CO 0.59 0.07 -0.17 -0.06 -0.23 0.00 0.00 178.00 178.19 2i4m s PHE 346 N -3.67 -0.11 -0.10 1.56 0.08 -1.26 -4.94 117.98 109.53 2i4m s PHE 346 Ca 0.01 -0.19 -0.10 0.00 0.12 0.00 0.00 56.93 56.77 2i4m s PHE 346 Cb 0.09 0.16 -0.27 0.00 -0.57 0.00 0.00 43.02 42.43 2i4m s PHE 346 CO 0.57 -0.63 0.46 -0.09 -0.10 0.00 0.00 175.22 175.43 2i4m h ARG 347 N 2.61 0.28 -4.99 0.44 2.43 -0.12 -3.37 114.38 111.66 2i4m h ARG 347 Ca -0.33 -0.48 -0.35 0.00 -0.81 0.00 0.00 59.98 58.00 2i4m h ARG 347 Cb 1.23 0.18 -0.22 0.00 -0.42 0.00 0.00 29.97 30.74 2i4m h ARG 347 CO 0.49 1.23 -0.76 0.54 -1.51 0.00 0.00 179.97 179.96 2i4m s VAL 348 N -2.54 0.86 -0.05 0.20 0.11 -1.03 -1.87 120.40 116.07 2i4m s VAL 348 Ca -0.21 -1.17 0.06 0.00 -2.93 0.00 0.00 61.98 57.73 2i4m s VAL 348 Cb 0.06 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2i4m s VAL 348 CO 0.78 -0.27 -0.23 0.28 -3.33 0.00 0.00 175.10 172.33 2i4m s THR 349 N -1.28 2.27 -0.20 5.04 -1.32 0.12 -1.24 115.64 119.03 2i4m s THR 349 Ca -0.05 -1.00 -0.18 0.00 -1.21 0.00 0.00 61.69 59.25 2i4m s THR 349 Cb -0.10 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.03 2i4m s THR 349 CO 0.01 0.57 0.51 -0.63 -2.21 0.00 0.00 174.62 172.88 2i4m s ILE 350 N -0.33 5.11 -0.42 5.08 1.01 0.63 0.22 121.20 132.50 2i4m s ILE 350 Ca 0.02 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 61.52 2i4m s ILE 350 Cb -0.12 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.59 2i4m s ILE 350 CO 0.02 0.19 0.25 -0.76 0.00 0.00 0.00 174.94 174.64 2i4m s LEU 351 N 1.58 5.14 -0.82 2.97 1.43 0.39 -1.40 118.68 127.98 2i4m s LEU 351 Ca 0.24 -1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 51.55 2i4m s LEU 351 Cb -0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2i4m s LEU 351 CO 0.10 -0.54 1.43 0.21 0.23 0.00 0.00 176.35 177.78 2i4m s ASN 352 N 2.10 6.12 0.00 2.29 3.84 -1.24 -1.65 114.94 126.40 2i4m s ASN 352 Ca 0.03 -0.69 0.11 0.00 0.21 0.00 0.00 52.86 52.52 2i4m s ASN 352 Cb -0.23 -2.56 0.66 0.00 -0.55 0.00 0.00 41.25 38.57 2i4m s ASN 352 CO 0.02 -1.84 1.09 0.18 -2.79 0.00 0.00 177.10 173.75 2i4m n LEU 353 N 9.83 0.00 -3.07 3.21 4.77 -0.91 -3.67 117.00 127.16 2i4m n LEU 353 Ca 0.16 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2i4m n LEU 353 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2i4m n LEU 353 CO 0.69 0.00 -0.10 0.29 -1.33 0.00 0.00 177.39 176.94 2i4m n LYS 354 N -0.97 0.44 -1.79 3.23 5.02 -1.26 -4.56 118.16 118.27 2i4m n LYS 354 Ca 0.08 -2.61 -0.39 0.00 -2.02 0.00 0.00 58.31 53.37 2i4m n LYS 354 Cb 0.04 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2i4m n LYS 354 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2i4m s GLN 355 N 0.27 3.47 0.00 1.97 2.00 -1.24 -1.99 119.66 124.13 2i4m s GLN 355 Ca 0.32 2.35 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2i4m s GLN 355 Cb 0.06 -2.50 0.00 0.00 0.80 0.00 0.00 33.01 31.37 2i4m s GLN 355 CO -0.14 -0.97 0.00 0.41 -0.50 0.00 0.00 175.29 174.09 2i4m n GLY 356 N 0.63 2.98 3.66 2.59 0.00 -1.26 -5.00 105.19 108.78 2i4m n GLY 356 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2i4m n GLY 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i4m s ASP 357 N -0.44 6.77 0.53 1.61 2.15 -0.84 -4.91 116.67 121.52 2i4m s ASP 357 Ca 0.00 1.85 0.19 0.00 0.43 0.00 0.00 52.55 55.03 2i4m s ASP 357 Cb 0.00 -2.54 1.33 0.00 -0.30 0.00 0.00 42.92 41.42 2i4m s ASP 357 CO 0.00 -0.89 2.11 0.00 -0.17 0.00 0.00 175.17 176.21 2i4m h ALA 358 N 9.02 2.13 0.01 3.66 0.00 -1.95 0.79 119.26 132.92 2i4m h ALA 358 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2i4m h ALA 358 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2i4m h ALA 358 CO 0.97 -0.20 -0.00 0.00 0.00 0.00 0.00 179.25 180.02 2i4m h ALA 359 N 1.92 -0.69 -0.54 0.00 0.00 -1.96 -2.18 119.26 115.81 2i4m h ALA 359 Ca 0.08 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2i4m h ALA 359 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 2i4m h ALA 359 CO -0.00 -0.69 -0.26 1.79 0.00 0.00 0.00 179.25 180.09 2i4m h THR 360 N -0.01 0.27 -0.50 0.00 1.35 -1.81 0.52 112.91 112.73 2i4m h THR 360 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 2i4m h THR 360 Cb 0.01 0.27 -0.10 0.00 -1.73 0.00 0.00 68.15 66.59 2i4m h THR 360 CO 0.00 0.00 -0.29 0.44 -0.25 0.00 0.00 175.52 175.42 2i4m h ASP 361 N -0.13 -0.99 -0.33 5.36 5.19 -0.96 0.25 116.42 124.81 2i4m h ASP 361 Ca 0.24 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.82 2i4m h ASP 361 Cb 0.51 0.50 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 2i4m h ASP 361 CO -0.62 -0.29 0.10 0.00 -3.12 0.00 0.00 179.24 175.32 2i4m h ALA 362 N 1.01 0.43 -0.51 3.45 0.00 -0.36 -0.29 119.26 122.99 2i4m h ALA 362 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2i4m h ALA 362 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2i4m h ALA 362 CO -0.60 0.07 0.30 0.00 0.00 0.00 0.00 179.25 179.02 2i4m h ALA 363 N 0.94 1.57 -0.13 0.00 0.00 -0.50 -1.76 119.26 119.39 2i4m h ALA 363 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2i4m h ALA 363 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2i4m h ALA 363 CO -0.00 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 2i4m h ASP 365 N -0.00 0.18 -0.03 0.00 3.32 -1.05 -0.02 116.42 118.82 2i4m h ASP 365 Ca 0.00 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2i4m h ASP 365 Cb 0.85 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 2i4m h ASP 365 CO 0.06 0.14 -0.24 -0.61 -1.72 0.00 0.00 179.24 176.86 2i4m h GLN 366 N 0.27 -0.35 -0.64 3.56 4.15 -1.11 0.12 115.11 121.10 2i4m h GLN 366 Ca 0.11 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.65 2i4m h GLN 366 Cb 0.04 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 2i4m h GLN 366 CO -0.08 -0.24 0.27 -0.07 -1.93 0.00 0.00 178.83 176.78 2i4m h LEU 367 N -0.37 0.30 0.46 -2.39 3.38 -0.79 -1.13 115.31 114.77 2i4m h LEU 367 Ca 0.07 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2i4m h LEU 367 Cb 0.46 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2i4m h LEU 367 CO -0.24 0.17 -0.22 0.22 0.09 0.00 0.00 178.44 178.46 2i4m h TYR 368 N 0.46 -0.57 -0.40 1.13 3.20 -0.09 -1.41 116.97 119.29 2i4m h TYR 368 Ca 0.32 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.22 2i4m h TYR 368 Cb 0.38 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2i4m h TYR 368 CO -0.15 -0.29 0.15 0.00 -1.64 0.00 0.00 178.16 176.23 2i4m h ARG 369 N -0.76 0.30 0.97 1.82 3.08 -0.68 -0.84 114.38 118.27 2i4m h ARG 369 Ca -0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2i4m h ARG 369 Cb 0.54 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.53 2i4m h ARG 369 CO 0.10 0.20 -0.47 0.93 -1.07 0.00 0.00 179.97 179.66 2i4m h GLU 370 N 0.31 -1.26 -0.65 0.04 5.08 -1.16 0.13 114.58 117.06 2i4m h GLU 370 Ca 0.18 0.09 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 2i4m h GLU 370 Cb 0.16 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2i4m h GLU 370 CO -0.18 -0.84 0.46 -0.07 -1.00 0.00 0.00 179.01 177.37 2i4m h LEU 371 N -1.31 0.11 0.36 1.33 3.38 -1.24 -0.51 115.31 117.43 2i4m h LEU 371 Ca -0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2i4m h LEU 371 Cb 1.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2i4m h LEU 371 CO 0.21 0.06 -0.17 -1.28 0.09 0.00 0.00 178.44 177.35 2i4m h SER 372 N 0.12 -0.41 -0.97 -0.43 0.87 -0.78 -1.56 113.55 110.38 2i4m h SER 372 Ca 0.31 -0.12 0.37 0.00 -1.23 0.00 0.00 61.79 61.12 2i4m h SER 372 Cb 1.07 0.11 -0.18 0.00 -0.44 0.00 0.00 62.40 62.96 2i4m h SER 372 CO -0.04 0.04 0.37 0.00 -0.53 0.00 0.00 176.83 176.67 2i4m n ALA 373 N -2.64 0.85 1.11 6.23 0.00 0.42 0.14 120.51 126.62 2i4m n ALA 373 Ca -0.08 1.01 0.02 0.00 0.00 0.00 0.00 53.44 54.38 2i4m n ALA 373 Cb 0.26 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 18.85 2i4m n ALA 373 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i4m n LYS 374 N -5.28 1.49 -3.37 0.00 4.76 -0.30 -4.90 118.16 110.56 2i4m n LYS 374 Ca 0.33 -0.49 -0.18 0.00 -2.87 0.00 0.00 58.31 55.10 2i4m n LYS 374 Cb 1.10 -1.38 0.05 0.00 -1.84 0.00 0.00 35.03 32.95 2i4m n LYS 374 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i4m n GLY 375 N 0.38 -1.14 2.98 0.72 0.00 0.37 -4.90 105.19 103.60 2i4m n GLY 375 Ca 0.04 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.31 2i4m n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i4m s VAL 376 N -3.32 1.33 -0.29 1.61 1.01 -0.59 -4.58 120.40 115.56 2i4m s VAL 376 Ca 0.36 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2i4m s VAL 376 Cb -0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2i4m s VAL 376 CO 0.78 0.42 1.96 -1.81 0.00 0.00 0.00 175.10 176.45 2i4m s ASP 377 N 1.47 5.72 -0.04 3.32 1.11 -1.25 -4.36 116.67 122.63 2i4m s ASP 377 Ca 0.03 1.52 0.04 0.00 0.18 0.00 0.00 52.55 54.31 2i4m s ASP 377 Cb -0.13 -2.52 -0.00 0.00 1.07 0.00 0.00 42.92 41.34 2i4m s ASP 377 CO -0.08 -1.81 -0.17 0.54 1.18 0.00 0.00 175.17 174.83 2i4m s VAL 378 N 7.46 1.41 -0.15 -1.27 0.11 -0.02 0.61 120.40 128.55 2i4m s VAL 378 Ca 0.88 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2i4m s VAL 378 Cb -0.26 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2i4m s VAL 378 CO 0.34 0.41 -0.10 -0.22 -3.33 0.00 0.00 175.10 172.20 2i4m s LEU 379 N 0.05 2.82 -0.54 2.54 2.96 -0.37 -1.85 118.68 124.29 2i4m s LEU 379 Ca -0.04 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2i4m s LEU 379 Cb -0.11 -1.66 0.14 0.00 0.50 0.00 0.00 46.19 45.05 2i4m s LEU 379 CO 0.02 0.13 0.45 -0.47 -1.32 0.00 0.00 176.35 175.17 2i4m s TYR 380 N 0.54 3.39 -0.77 5.38 5.04 -0.03 -0.27 117.35 130.63 2i4m s TYR 380 Ca -0.07 -1.69 -0.26 0.00 -2.44 0.00 0.00 57.07 52.62 2i4m s TYR 380 Cb -0.15 -3.64 -0.09 0.00 0.35 0.00 0.00 41.96 38.43 2i4m s TYR 380 CO 0.03 -1.00 2.21 0.34 -1.34 0.00 0.00 175.55 175.80 2i4m s ASP 381 N 2.92 4.48 -0.22 4.32 -1.08 -0.49 -1.91 116.67 124.69 2i4m s ASP 381 Ca 0.06 -0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.20 2i4m s ASP 381 Cb -0.26 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.16 2i4m s ASP 381 CO -0.00 -3.26 1.42 -0.90 0.52 0.00 0.00 175.17 172.95 2i4m n ASP 382 N 16.29 3.20 -4.84 -0.34 5.75 -1.26 -3.65 116.55 131.70 2i4m n ASP 382 Ca 0.41 -3.32 -0.32 0.00 -0.01 0.00 0.00 54.79 51.55 2i4m n ASP 382 Cb 0.47 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 2i4m n ASP 382 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2i4m s THR 383 N -3.00 4.52 -1.45 2.12 -4.23 -1.26 -4.78 115.64 107.56 2i4m s THR 383 Ca 0.42 1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 62.05 2i4m s THR 383 Cb 0.36 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 2i4m s THR 383 CO 0.05 -0.63 2.39 -0.67 -0.54 0.00 0.00 174.62 175.22 2i4m n ASP 384 N -1.44 5.05 -3.95 3.99 2.03 -1.26 -4.77 116.55 116.20 2i4m n ASP 384 Ca 0.07 -2.75 -0.12 0.00 0.52 0.00 0.00 54.79 52.50 2i4m n ASP 384 Cb 0.54 -1.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.22 2i4m n ASP 384 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2i4m s GLN 385 N 3.05 0.25 0.62 -0.67 -0.21 -1.26 -5.12 119.66 116.32 2i4m s GLN 385 Ca 0.53 -0.30 -0.18 0.00 0.02 0.00 0.00 55.36 55.43 2i4m s GLN 385 Cb 0.15 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 2i4m s GLN 385 CO -0.07 0.02 0.99 0.54 -2.12 0.00 0.00 175.29 174.65 2i4m n ARG 386 N 2.46 0.88 0.22 2.91 1.74 -1.26 -4.75 116.66 118.85 2i4m n ARG 386 Ca -0.17 0.34 0.17 0.00 -0.77 0.00 0.00 57.85 57.43 2i4m n ARG 386 Cb 0.58 -2.20 0.84 0.00 -1.02 0.00 0.00 32.46 30.65 2i4m n ARG 386 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i4m h ALA 387 N 0.42 1.77 -0.23 7.54 0.00 -1.91 -1.88 119.26 124.97 2i4m h ALA 387 Ca -0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2i4m h ALA 387 Cb 1.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2i4m h ALA 387 CO 0.51 -0.26 -0.11 0.78 0.00 0.00 0.00 179.25 180.17 2i4m h GLY 388 N 0.00 0.53 0.90 0.00 0.00 -1.97 0.25 103.07 102.78 2i4m h GLY 388 Ca 0.07 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2i4m h GLY 388 CO -0.00 0.43 0.19 0.00 0.00 0.00 0.00 176.54 177.16 2i4m h ALA 389 N 0.72 0.43 -0.45 3.60 0.00 -1.69 -0.89 119.26 120.98 2i4m h ALA 389 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2i4m h ALA 389 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2i4m h ALA 389 CO 0.03 -0.16 0.25 0.87 0.00 0.00 0.00 179.25 180.24 2i4m h LYS 390 N 0.40 0.62 -0.52 0.00 1.57 -1.29 0.87 116.57 118.23 2i4m h LYS 390 Ca 0.14 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2i4m h LYS 390 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2i4m h LYS 390 CO -0.07 0.48 0.30 0.74 -0.57 0.00 0.00 179.45 180.33 2i4m h PHE 391 N 0.58 0.56 0.68 -1.35 0.04 -0.29 -0.98 116.94 116.19 2i4m h PHE 391 Ca 0.16 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 2i4m h PHE 391 Cb 0.04 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.02 2i4m h PHE 391 CO -0.02 0.31 -0.33 0.00 -0.60 0.00 0.00 178.31 177.67 2i4m h ALA 392 N 1.24 -0.91 -0.78 2.45 0.00 -0.52 -2.33 119.26 118.41 2i4m h ALA 392 Ca 0.21 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2i4m h ALA 392 Cb 0.04 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2i4m h ALA 392 CO -0.11 -0.95 0.38 1.15 0.00 0.00 0.00 179.25 179.73 2i4m h THR 393 N -1.04 0.78 0.00 0.00 2.02 -0.78 -0.98 112.91 112.91 2i4m h THR 393 Ca -0.09 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 2i4m h THR 393 Cb 0.73 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2i4m h THR 393 CO 0.15 0.11 -0.31 0.00 0.37 0.00 0.00 175.52 175.84 2i4m h ALA 394 N 1.50 1.24 0.05 6.16 0.00 -1.03 -1.15 119.26 126.02 2i4m h ALA 394 Ca 0.40 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 2i4m h ALA 394 Cb 0.51 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2i4m h ALA 394 CO -0.32 0.39 -1.09 -0.44 0.00 0.00 0.00 179.25 177.78 2i4m h ASP 395 N 0.00 0.88 0.12 0.00 3.32 -0.72 -3.19 116.42 116.83 2i4m h ASP 395 Ca -0.00 -0.77 -0.00 0.00 0.02 0.00 0.00 57.03 56.27 2i4m h ASP 395 Cb 0.65 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2i4m h ASP 395 CO 0.04 1.55 -0.07 0.25 -1.72 0.00 0.00 179.24 179.29 2i4m h LEU 396 N 0.31 -0.18 -0.05 1.55 5.85 -0.50 -2.89 115.31 119.39 2i4m h LEU 396 Ca -0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2i4m h LEU 396 Cb 1.76 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.84 2i4m h LEU 396 CO 0.21 -0.12 -0.03 2.30 -0.34 0.00 0.00 178.44 180.47 2i4m n ILE 397 N -5.18 0.00 -1.31 4.05 -5.35 -0.50 -2.14 119.36 108.93 2i4m n ILE 397 Ca -0.08 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 2i4m n ILE 397 Cb 0.11 -0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.57 2i4m n ILE 397 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i4m n GLY 398 N 1.26 0.97 3.61 3.28 0.00 -1.09 -4.86 105.19 108.36 2i4m n GLY 398 Ca 0.15 -0.64 -0.50 0.00 0.00 0.00 0.00 46.02 45.02 2i4m n GLY 398 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2i4m n ILE 399 N -2.83 0.04 -0.29 -0.61 2.08 -1.26 -2.15 119.36 114.35 2i4m n ILE 399 Ca -0.09 -0.01 0.23 0.00 0.56 0.00 0.00 62.75 63.44 2i4m n ILE 399 Cb 0.30 -0.99 0.54 0.00 -0.75 0.00 0.00 39.64 38.74 2i4m n ILE 399 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2i4m h PRO 400 N 4.82 0.33 -4.17 0.38 0.11 -1.72 -3.43 132.00 128.32 2i4m h PRO 400 Ca -0.47 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 2i4m h PRO 400 Cb 1.32 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 32.07 2i4m h PRO 400 CO 0.80 0.22 -0.75 -1.58 -0.21 0.00 0.00 178.00 176.48 2i4m s TRP 401 N -5.39 0.36 -0.02 0.65 0.52 -0.78 -2.34 118.94 111.93 2i4m s TRP 401 Ca -0.08 -0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.04 2i4m s TRP 401 Cb 0.24 -0.23 -0.02 0.00 -1.15 0.00 0.00 33.47 32.31 2i4m s TRP 401 CO 0.79 -0.01 -0.23 -0.65 0.02 0.00 0.00 176.95 176.88 2i4m s GLN 402 N -0.09 1.93 -0.23 4.98 -0.21 -0.58 0.12 119.66 125.58 2i4m s GLN 402 Ca 0.02 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 54.53 2i4m s GLN 402 Cb -0.02 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 2i4m s GLN 402 CO -0.00 0.47 -0.01 0.42 -2.12 0.00 0.00 175.29 174.05 2i4m s ILE 403 N -0.48 3.61 -0.35 1.08 1.01 0.13 -1.39 121.20 124.82 2i4m s ILE 403 Ca 0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 2i4m s ILE 403 Cb -0.09 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 2i4m s ILE 403 CO -0.00 0.40 0.29 -1.00 0.00 0.00 0.00 174.94 174.63 2i4m s HIS 404 N 1.51 3.22 -0.41 3.97 3.76 0.47 0.15 115.29 127.96 2i4m s HIS 404 Ca 0.06 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 54.71 2i4m s HIS 404 Cb -0.14 -2.56 0.10 0.00 1.11 0.00 0.00 32.58 31.08 2i4m s HIS 404 CO -0.02 -0.41 0.22 0.08 -0.85 0.00 0.00 174.74 173.77 2i4m s VAL 405 N 1.82 3.71 0.28 -0.90 1.01 -0.66 -1.58 120.40 124.09 2i4m s VAL 405 Ca 0.08 -1.73 0.12 0.00 0.00 0.00 0.00 61.98 60.45 2i4m s VAL 405 Cb -0.17 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2i4m s VAL 405 CO 0.11 -0.58 -0.19 -0.83 0.00 0.00 0.00 175.10 173.60 2i4m s GLY 406 N 2.01 1.91 0.16 4.51 0.00 -1.26 -2.14 107.32 112.50 2i4m s GLY 406 Ca 0.05 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 42.76 2i4m s GLY 406 CO -0.01 -1.97 1.57 -2.55 0.00 0.00 0.00 173.10 170.14 2i4m h PRO 407 N 2.25 0.96 -0.11 2.90 0.11 -1.97 0.62 132.00 136.76 2i4m h PRO 407 Ca -0.40 -0.36 -0.05 0.00 0.11 0.00 0.00 66.00 65.30 2i4m h PRO 407 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2i4m h PRO 407 CO 0.61 1.02 -0.12 0.00 -0.21 0.00 0.00 178.00 179.30 2i4m h ARG 408 N 0.81 0.26 0.00 1.05 -0.00 -1.97 -1.51 114.38 113.02 2i4m h ARG 408 Ca 0.13 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 2i4m h ARG 408 Cb 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.63 2i4m h ARG 408 CO 0.05 0.69 -0.11 0.78 0.00 0.00 0.00 179.97 181.37 2i4m h GLY 409 N -0.15 0.00 1.57 0.04 0.00 -1.81 -2.64 103.07 100.09 2i4m h GLY 409 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 2i4m h GLY 409 CO 0.03 0.00 -0.94 -2.00 0.00 0.00 0.00 176.54 173.63 2i4m h LEU 410 N 0.00 0.50 -2.22 3.11 5.85 -0.54 0.16 115.31 122.17 2i4m h LEU 410 Ca -0.00 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.36 2i4m h LEU 410 Cb 0.20 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2i4m h LEU 410 CO 0.01 1.20 0.15 0.00 -0.34 0.00 0.00 178.44 179.46 2i4m h ALA 411 N 0.77 1.85 -0.06 1.25 0.00 -0.90 0.71 119.26 122.88 2i4m h ALA 411 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2i4m h ALA 411 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2i4m h ALA 411 CO 0.16 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.57 2i4m n GLU 412 N -3.99 1.86 -0.74 0.00 1.02 -1.10 -4.91 120.64 112.79 2i4m n GLU 412 Ca 0.01 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2i4m n GLU 412 Cb 0.27 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2i4m n GLU 412 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i4m n GLY 413 N 1.22 0.64 3.51 0.62 0.00 0.24 -5.04 105.19 106.37 2i4m n GLY 413 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2i4m n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m s LYS 414 N -0.26 1.82 0.14 1.61 1.02 0.55 -2.26 119.74 122.36 2i4m s LYS 414 Ca 0.00 -1.48 -0.00 0.00 0.02 0.00 0.00 55.97 54.51 2i4m s LYS 414 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2i4m s LYS 414 CO 0.00 0.39 0.03 0.14 -0.92 0.00 0.00 175.35 174.99 2i4m s VAL 415 N -1.93 0.32 -0.19 3.17 -7.23 0.19 -3.19 120.40 111.52 2i4m s VAL 415 Ca 0.25 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 2i4m s VAL 415 Cb -0.07 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2i4m s VAL 415 CO 0.14 -0.52 0.15 -0.70 -0.31 0.00 0.00 175.10 173.85 2i4m s GLU 416 N -3.99 4.18 -0.30 4.82 2.12 -0.62 -1.70 118.70 123.22 2i4m s GLU 416 Ca 0.22 -0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 2i4m s GLU 416 Cb 0.07 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 31.06 2i4m s GLU 416 CO 0.01 0.30 0.06 -1.17 -0.54 0.00 0.00 175.26 173.93 2i4m s LEU 417 N 0.34 3.85 -0.17 2.70 2.96 -0.55 -0.39 118.68 127.42 2i4m s LEU 417 Ca 0.09 -0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 2i4m s LEU 417 Cb -0.11 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2i4m s LEU 417 CO -0.01 -0.21 0.00 -0.75 -1.32 0.00 0.00 176.35 174.06 2i4m s LYS 418 N 1.44 3.76 -0.17 1.98 2.20 -0.49 -1.53 119.74 126.93 2i4m s LYS 418 Ca 0.01 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 2i4m s LYS 418 Cb -0.18 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2i4m s LYS 418 CO 0.01 0.20 0.38 0.50 -0.36 0.00 0.00 175.35 176.08 2i4m s ARG 419 N 0.52 4.23 0.12 4.03 3.52 0.52 -1.52 118.95 130.37 2i4m s ARG 419 Ca -0.01 0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.66 2i4m s ARG 419 Cb -0.14 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2i4m s ARG 419 CO 0.02 0.08 1.56 -0.09 -0.81 0.00 0.00 175.30 176.06 2i4m h ARG 420 N 7.04 0.72 -0.63 5.12 9.65 -1.73 0.33 114.38 134.87 2i4m h ARG 420 Ca -0.39 -0.24 0.07 0.00 -1.10 0.00 0.00 59.98 58.32 2i4m h ARG 420 Cb 1.17 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 2i4m h ARG 420 CO 0.74 0.82 0.32 0.66 2.80 0.00 0.00 179.97 185.30 2i4m h SER 421 N 0.54 0.45 0.00 -3.80 4.64 -1.93 -3.18 113.55 110.27 2i4m h SER 421 Ca 0.11 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2i4m h SER 421 Cb 0.51 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2i4m h SER 421 CO 0.02 0.28 -1.02 -0.90 -0.87 0.00 0.00 176.83 174.35 2i4m n ASP 422 N -4.85 1.87 0.00 4.97 5.68 -1.25 -5.01 116.55 117.96 2i4m n ASP 422 Ca 0.08 -0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 2i4m n ASP 422 Cb 0.20 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.43 2i4m n ASP 422 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i4m n GLY 423 N 1.66 0.60 3.62 6.12 0.00 0.11 -4.99 105.19 112.32 2i4m n GLY 423 Ca -0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2i4m n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4m s ALA 424 N -2.00 3.11 0.50 4.61 0.00 -1.16 -4.71 121.76 122.11 2i4m s ALA 424 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 2i4m s ALA 424 Cb 0.00 -3.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2i4m s ALA 424 CO 0.00 -2.24 0.79 1.03 0.00 0.00 0.00 175.76 175.34 2i4m s ARG 425 N 5.38 3.26 -0.30 0.00 0.52 -1.26 -0.36 118.95 126.18 2i4m s ARG 425 Ca 0.89 -0.02 -0.10 0.00 -0.52 0.00 0.00 55.73 55.98 2i4m s ARG 425 Cb -0.33 -2.39 0.17 0.00 0.52 0.00 0.00 34.95 32.91 2i4m s ARG 425 CO 0.35 -0.35 0.85 -2.00 0.02 0.00 0.00 175.30 174.18 2i4m s GLU 426 N -4.76 0.38 0.04 3.54 2.12 -0.58 -4.95 118.70 114.49 2i4m s GLU 426 Ca 0.49 0.81 -0.31 0.00 0.36 0.00 0.00 54.97 56.33 2i4m s GLU 426 Cb -0.10 0.47 -0.06 0.00 0.26 0.00 0.00 34.13 34.70 2i4m s GLU 426 CO 0.43 -0.27 1.27 -0.80 -0.54 0.00 0.00 175.26 175.35 2i4m s ASN 427 N 2.75 6.99 0.32 -1.70 0.01 -1.26 -1.48 114.94 120.57 2i4m s ASN 427 Ca 0.03 2.06 -0.18 0.00 -0.71 0.00 0.00 52.86 54.06 2i4m s ASN 427 Cb -0.10 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.01 2i4m s ASN 427 CO -0.17 -0.56 0.72 -1.48 -1.51 0.00 0.00 177.10 174.10 2i4m s LEU 428 N 1.48 -0.07 0.54 0.60 0.05 -0.69 -4.99 118.68 115.60 2i4m s LEU 428 Ca 0.60 -0.86 -0.15 0.00 0.05 0.00 0.00 54.13 53.77 2i4m s LEU 428 Cb -0.30 2.66 -0.07 0.00 -2.05 0.00 0.00 46.19 46.43 2i4m s LEU 428 CO 0.28 -1.46 0.99 0.00 -0.55 0.00 0.00 176.35 175.61 2i4m s ALA 429 N -3.30 3.08 0.18 1.48 0.00 -1.26 0.53 121.76 122.47 2i4m s ALA 429 Ca 0.14 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2i4m s ALA 429 Cb -0.05 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 20.02 2i4m s ALA 429 CO 0.09 -0.35 1.56 -0.07 0.00 0.00 0.00 175.76 176.98 2i4m h LEU 430 N 0.58 -1.68 0.07 0.00 -0.00 -1.77 -2.32 115.31 110.20 2i4m h LEU 430 Ca -0.46 0.28 0.02 0.00 -0.00 0.00 0.00 57.88 57.72 2i4m h LEU 430 Cb 1.19 0.77 -0.04 0.00 -0.00 0.00 0.00 40.66 42.58 2i4m h LEU 430 CO 0.62 -0.30 -0.25 0.00 -0.00 0.00 0.00 178.44 178.50 2i4m h ALA 431 N 0.72 -0.40 -0.36 1.53 0.00 -1.94 -2.82 119.26 116.00 2i4m h ALA 431 Ca 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2i4m h ALA 431 Cb 0.54 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2i4m h ALA 431 CO -0.82 -0.78 -0.04 -0.44 0.00 0.00 0.00 179.25 177.18 2i4m h ASP 432 N -0.43 0.55 -0.66 0.00 3.32 -1.93 -3.28 116.42 113.99 2i4m h ASP 432 Ca 0.04 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.07 2i4m h ASP 432 Cb 0.48 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 2i4m h ASP 432 CO -0.18 0.65 0.26 1.62 -1.72 0.00 0.00 179.24 179.88 2i4m h VAL 433 N 0.55 0.76 -0.43 -1.35 3.04 -1.15 -0.61 116.25 117.06 2i4m h VAL 433 Ca 0.11 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2i4m h VAL 433 Cb 0.41 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.94 2i4m h VAL 433 CO 0.02 0.08 0.19 0.58 -1.01 0.00 0.00 177.57 177.43 2i4m h VAL 434 N 0.45 1.18 -0.47 1.51 2.07 -1.68 -2.45 116.25 116.87 2i4m h VAL 434 Ca 0.34 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2i4m h VAL 434 Cb 0.43 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2i4m h VAL 434 CO -0.32 0.20 0.31 0.00 0.02 0.00 0.00 177.57 177.78 2i4m h ALA 435 N 1.04 1.77 0.00 1.67 0.00 -1.32 -0.43 119.26 121.99 2i4m h ALA 435 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2i4m h ALA 435 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2i4m h ALA 435 CO -0.02 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.95 2i4m n ARG 436 N -4.47 0.09 0.00 0.00 5.12 -0.37 -3.26 116.66 113.76 2i4m n ARG 436 Ca 0.05 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 2i4m n ARG 436 Cb 0.13 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 2i4m n ARG 436 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2i4m n LEU 437 N -1.82 0.83 -0.70 0.55 4.77 -0.26 -5.10 117.00 115.28 2i4m n LEU 437 Ca 0.03 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.21 2i4m n LEU 437 Cb 0.22 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2i4m n LEU 437 CO 0.18 0.20 0.53 0.35 -1.33 0.00 0.00 177.39 177.32