#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 -0.09 -3.64 1.61 3.41 -1.26 -4.57 113.62 109.07 2i4m n SER -1 Ca 0.00 0.75 -0.05 0.00 -0.26 0.00 0.00 58.87 59.31 2i4m n SER -1 Cb 0.00 -1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 62.59 2i4m n SER -1 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2i4m s HIS 0 N -1.64 -1.12 0.07 7.33 -0.00 -1.26 -2.80 115.29 115.86 2i4m s HIS 0 Ca 0.73 2.16 0.03 0.00 -0.00 0.00 0.00 55.06 57.97 2i4m s HIS 0 Cb -0.42 0.67 -0.03 0.00 -0.00 0.00 0.00 32.58 32.81 2i4m s HIS 0 CO 0.50 -0.56 -0.09 1.41 -0.00 0.00 0.00 174.74 176.00 2i4m s MET 1 N 1.96 0.70 -0.11 -0.38 -2.45 -0.66 -5.00 119.30 113.35 2i4m s MET 1 Ca -0.09 -0.96 0.01 0.00 -1.25 0.00 0.00 55.69 53.40 2i4m s MET 1 Cb -0.07 -0.45 -0.02 0.00 1.25 0.00 0.00 34.83 35.55 2i4m s MET 1 CO -0.20 0.08 -0.14 1.03 1.05 0.00 0.00 175.02 176.84 2i4m s ARG 2 N -2.17 3.18 0.51 4.11 0.52 -1.26 -1.19 118.95 122.65 2i4m s ARG 2 Ca -0.02 -0.71 0.23 0.00 -0.52 0.00 0.00 55.73 54.71 2i4m s ARG 2 Cb -0.06 -2.55 1.31 0.00 0.52 0.00 0.00 34.95 34.17 2i4m s ARG 2 CO 0.00 0.29 1.98 1.25 0.02 0.00 0.00 175.30 178.84 2i4m h LEU 3 N 6.43 0.10 0.00 2.53 6.46 -1.88 0.19 115.31 129.15 2i4m h LEU 3 Ca -0.29 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2i4m h LEU 3 Cb 1.20 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2i4m h LEU 3 CO 0.54 0.05 0.00 -1.54 -0.62 0.00 0.00 178.44 176.87 2i4m n SER 4 N -4.40 0.00 -0.25 1.25 3.41 -1.26 -1.63 113.62 110.74 2i4m n SER 4 Ca 0.11 -0.38 0.03 0.00 -0.26 0.00 0.00 58.87 58.37 2i4m n SER 4 Cb 0.59 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.20 0.85 -3.50 4.33 1.74 0.65 -5.04 116.66 114.49 2i4m n ARG 5 Ca 0.17 -1.15 -0.23 0.00 -0.77 0.00 0.00 57.85 55.86 2i4m n ARG 5 Cb 0.19 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.20 -1.16 -3.85 -1.55 7.35 -0.65 -4.93 117.46 112.88 2i4m n PHE 6 Ca 0.04 -2.21 -0.29 0.00 -0.76 0.00 0.00 57.45 54.23 2i4m n PHE 6 Cb 0.21 -0.47 -0.16 0.00 0.35 0.00 0.00 39.48 39.40 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 -2.62 1.79 -0.45 -5.13 5.36 -1.26 -5.01 117.98 110.66 2i4m s PHE 7 Ca 0.40 -1.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.06 2i4m s PHE 7 Cb -0.03 -1.34 0.19 0.00 -0.34 0.00 0.00 43.02 41.50 2i4m s PHE 7 CO 0.25 -0.70 0.51 -0.11 -1.46 0.00 0.00 175.22 173.71 2i4m n LEU 8 N 4.84 -1.56 -4.55 6.12 7.94 -1.26 -4.43 117.00 124.10 2i4m n LEU 8 Ca -0.10 -3.86 -0.41 0.00 -1.11 0.00 0.00 56.01 50.53 2i4m n LEU 8 Cb 0.45 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.01 2i4m n LEU 8 CO 0.16 1.91 1.21 -2.16 -1.11 0.00 0.00 177.39 177.39 2i4m s PRO 9 N 0.27 3.15 0.25 1.96 0.04 -1.26 -4.87 135.00 134.55 2i4m s PRO 9 Ca 0.32 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 2i4m s PRO 9 Cb 0.04 -4.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.30 2i4m s PRO 9 CO -0.15 -2.18 1.02 0.42 0.04 0.00 0.00 177.00 176.15 2i4m s ILE 10 N 6.02 3.82 -0.19 0.56 -1.09 -1.26 -3.53 121.20 125.53 2i4m s ILE 10 Ca 0.38 1.82 -0.05 0.00 -2.23 0.00 0.00 60.65 60.57 2i4m s ILE 10 Cb -0.08 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2i4m s ILE 10 CO 0.16 0.43 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.53 2i4m s LEU 11 N -1.24 3.33 0.26 2.97 1.43 -0.90 -5.00 118.68 119.53 2i4m s LEU 11 Ca 0.43 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2i4m s LEU 11 Cb -0.29 -1.83 0.33 0.00 0.03 0.00 0.00 46.19 44.43 2i4m s LEU 11 CO 0.36 0.11 1.68 0.07 0.23 0.00 0.00 176.35 178.79 2i4m h LYS 12 N 7.17 0.54 -6.41 1.70 2.10 -1.97 -3.45 116.57 116.26 2i4m h LYS 12 Ca -0.34 -0.22 -0.62 0.00 -2.00 0.00 0.00 60.65 57.46 2i4m h LYS 12 Cb 1.18 -0.02 -0.14 0.00 -0.90 0.00 0.00 32.23 32.35 2i4m h LYS 12 CO 0.63 0.77 -0.74 -1.83 -2.00 0.00 0.00 179.45 176.28 2i4m s GLU 13 N -4.45 1.93 0.09 0.07 1.03 -1.26 -5.10 118.70 111.02 2i4m s GLU 13 Ca -0.07 -1.42 -0.33 0.00 0.03 0.00 0.00 54.97 53.18 2i4m s GLU 13 Cb 0.13 -2.04 -0.12 0.00 -0.80 0.00 0.00 34.13 31.30 2i4m s GLU 13 CO 0.80 0.40 1.75 0.09 -1.33 0.00 0.00 175.26 176.98 2i4m n ASN 14 N -0.16 3.57 -4.70 0.83 3.02 -1.26 -4.91 115.26 111.65 2i4m n ASN 14 Ca -0.10 1.02 -0.42 0.00 -0.03 0.00 0.00 54.58 55.05 2i4m n ASN 14 Cb 0.57 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.24 2i4m n ASN 14 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2i4m s PRO 15 N 2.30 4.40 0.29 3.52 0.02 -1.26 -4.94 135.00 139.33 2i4m s PRO 15 Ca 0.83 1.66 0.04 0.00 0.02 0.00 0.00 61.00 63.55 2i4m s PRO 15 Cb -0.60 -3.48 0.75 0.00 0.02 0.00 0.00 34.50 31.18 2i4m s PRO 15 CO 0.40 -0.34 1.68 0.87 -0.33 0.00 0.00 177.00 179.28 2i4m h LYS 16 N 7.16 0.31 0.00 5.54 1.57 -2.02 -1.98 116.57 127.16 2i4m h LYS 16 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2i4m h LYS 16 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2i4m h LYS 16 CO 0.84 0.21 0.00 -0.85 -0.57 0.00 0.00 179.45 179.08 2i4m n GLU 17 N -5.11 0.31 -4.02 3.15 0.00 -1.26 -4.63 120.64 109.07 2i4m n GLU 17 Ca 0.22 0.09 -0.35 0.00 0.00 0.00 0.00 57.16 57.12 2i4m n GLU 17 Cb 0.69 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.50 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 -2.31 3.00 0.00 -1.84 0.00 -0.75 -5.00 121.76 114.86 2i4m s ALA 18 Ca 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2i4m s ALA 18 Cb 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2i4m s ALA 18 CO 0.19 -0.23 0.00 0.39 0.00 0.00 0.00 175.76 176.11 2i4m n GLU 19 N 4.41 0.00 -1.25 0.00 1.02 -1.26 -4.78 120.64 118.78 2i4m n GLU 19 Ca -0.17 0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 2i4m n GLU 19 Cb 0.52 -0.74 0.10 0.00 -0.02 0.00 0.00 31.44 31.30 2i4m n GLU 19 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2i4m s ILE 20 N -0.98 3.19 0.22 -3.67 -4.36 -1.26 -4.87 121.20 109.47 2i4m s ILE 20 Ca 0.00 0.39 -0.07 0.00 -0.26 0.00 0.00 60.65 60.71 2i4m s ILE 20 Cb 0.00 -2.87 0.12 0.00 1.25 0.00 0.00 42.46 40.96 2i4m s ILE 20 CO 0.00 -0.50 1.73 1.62 0.24 0.00 0.00 174.94 178.03 2i4m h VAL 21 N -1.22 1.26 -0.48 8.37 3.04 -1.98 -2.61 116.25 122.62 2i4m h VAL 21 Ca -0.45 -0.97 -0.12 0.00 -1.01 0.00 0.00 66.70 64.15 2i4m h VAL 21 Cb 1.24 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2i4m h VAL 21 CO 0.52 0.37 -0.18 0.77 -1.01 0.00 0.00 177.57 178.03 2i4m h SER 22 N 1.01 1.00 0.51 3.17 4.64 -1.90 0.29 113.55 122.27 2i4m h SER 22 Ca 0.21 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2i4m h SER 22 Cb 0.38 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2i4m h SER 22 CO 0.00 1.16 -0.25 -0.74 -0.87 0.00 0.00 176.83 176.14 2i4m h HIS 23 N 0.83 -0.64 -0.94 4.77 6.17 -1.84 0.12 115.15 123.63 2i4m h HIS 23 Ca 0.11 -0.02 0.25 0.00 0.71 0.00 0.00 60.37 61.43 2i4m h HIS 23 Cb 0.76 0.21 -0.13 0.00 2.52 0.00 0.00 27.41 30.76 2i4m h HIS 23 CO 0.05 -0.35 0.45 -0.09 0.71 0.00 0.00 177.93 178.70 2i4m h ARG 24 N -0.80 0.37 0.04 5.26 2.43 -1.09 -1.44 114.38 119.14 2i4m h ARG 24 Ca -0.07 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 58.82 2i4m h ARG 24 Cb 0.58 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2i4m h ARG 24 CO 0.12 0.25 -1.29 -0.07 -1.51 0.00 0.00 179.97 177.46 2i4m h LEU 25 N 0.38 0.13 -1.06 3.80 3.38 -0.06 -3.04 115.31 118.85 2i4m h LEU 25 Ca 0.62 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 2i4m h LEU 25 Cb 1.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2i4m h LEU 25 CO -0.56 1.14 -0.31 0.24 0.09 0.00 0.00 178.44 179.04 2i4m h MET 26 N 0.02 0.28 -0.09 1.13 2.86 0.30 -0.66 114.93 118.77 2i4m h MET 26 Ca -0.13 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 2i4m h MET 26 Cb 1.90 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.55 2i4m h MET 26 CO 0.13 0.57 -0.32 -0.07 1.06 0.00 0.00 176.91 178.28 2i4m h LEU 27 N 0.24 0.44 -0.76 1.22 3.38 -1.51 -0.19 115.31 118.13 2i4m h LEU 27 Ca 0.03 -0.61 -0.12 0.00 0.09 0.00 0.00 57.88 57.27 2i4m h LEU 27 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2i4m h LEU 27 CO 0.05 0.98 -0.34 0.03 0.09 0.00 0.00 178.44 179.26 2i4m h ARG 28 N -0.07 0.55 -0.46 1.13 3.08 -1.45 -3.05 114.38 114.12 2i4m h ARG 28 Ca -0.01 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2i4m h ARG 28 Cb 0.95 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2i4m h ARG 28 CO 0.07 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 2i4m n ALA 29 N -2.50 2.49 -3.01 0.04 0.00 -0.26 -2.11 120.51 115.16 2i4m n ALA 29 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 2i4m n ALA 29 Cb 0.47 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 0.27 -0.50 0.49 0.00 0.00 -1.15 -4.87 105.19 99.43 2i4m n GLY 30 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.98 1.51 -3.61 1.61 2.81 -0.09 -4.33 117.12 111.04 2i4m n MET 31 Ca -0.11 -1.11 -0.13 0.00 -1.81 0.00 0.00 57.70 54.53 2i4m n MET 31 Cb 0.62 -1.28 -0.07 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.69 -0.65 -0.03 4.03 2.96 -1.21 -2.67 118.68 119.41 2i4m s LEU 32 Ca 0.16 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2i4m s LEU 32 Cb 0.13 2.32 0.02 0.00 0.50 0.00 0.00 46.19 49.16 2i4m s LEU 32 CO 0.30 -0.29 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.41 2i4m s ARG 33 N 0.04 0.59 0.09 1.98 3.52 -0.69 -4.72 118.95 119.75 2i4m s ARG 33 Ca -0.01 -0.09 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 2i4m s ARG 33 Cb -0.04 -0.63 -0.07 0.00 -1.56 0.00 0.00 34.95 32.65 2i4m s ARG 33 CO 0.01 -0.03 1.31 -1.14 -0.81 0.00 0.00 175.30 174.64 2i4m s GLN 34 N 0.62 4.36 -0.23 5.12 0.74 -1.26 -0.58 119.66 128.44 2i4m s GLN 34 Ca -0.07 1.95 -0.02 0.00 0.05 0.00 0.00 55.36 57.26 2i4m s GLN 34 Cb -0.11 -3.31 -0.13 0.00 1.10 0.00 0.00 33.01 30.56 2i4m s GLN 34 CO -0.00 -0.37 -0.23 0.39 -0.55 0.00 0.00 175.29 174.53 2i4m n GLU 35 N 4.03 0.54 -4.30 1.67 -0.58 0.20 -4.87 120.64 117.33 2i4m n GLU 35 Ca 0.11 0.15 -0.18 0.00 -0.42 0.00 0.00 57.16 56.82 2i4m n GLU 35 Cb 0.44 -1.42 -0.09 0.00 -0.57 0.00 0.00 31.44 29.80 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 -2.44 1.82 0.02 0.62 0.00 -0.89 -5.02 121.76 115.87 2i4m s ALA 36 Ca -0.31 -1.82 -0.35 0.00 0.00 0.00 0.00 51.96 49.48 2i4m s ALA 36 Cb 0.09 1.28 -0.14 0.00 0.00 0.00 0.00 23.12 24.36 2i4m s ALA 36 CO 0.49 -0.56 1.67 0.00 0.00 0.00 0.00 175.76 177.35 2i4m n ALA 37 N -0.55 0.74 -0.58 0.00 0.00 -1.26 -0.94 120.51 117.92 2i4m n ALA 37 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2i4m n ALA 37 Cb 0.64 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 3.71 1.51 3.06 0.00 0.00 -1.26 -4.75 105.19 107.46 2i4m n GLY 38 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.26 1.70 -0.04 -0.61 1.01 -0.12 -0.87 121.20 119.01 2i4m s ILE 39 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.99 2i4m s ILE 39 Cb 0.00 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2i4m s ILE 39 CO 0.00 0.48 -0.24 -0.31 0.00 0.00 0.00 174.94 174.87 2i4m s TYR 40 N 1.31 2.27 0.22 3.97 2.02 -1.26 0.61 117.35 126.48 2i4m s TYR 40 Ca 0.02 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 55.84 2i4m s TYR 40 Cb -0.13 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 2i4m s TYR 40 CO -0.09 -0.16 0.88 0.00 -1.57 0.00 0.00 175.55 174.61 2i4m s ALA 41 N -0.26 3.37 -0.38 3.71 0.00 0.26 -4.90 121.76 123.56 2i4m s ALA 41 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2i4m s ALA 41 Cb -0.12 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2i4m s ALA 41 CO 0.02 0.24 0.25 -1.58 0.00 0.00 0.00 175.76 174.69 2i4m s TRP 42 N -1.20 3.24 0.78 0.00 0.52 -1.26 -1.71 118.94 119.32 2i4m s TRP 42 Ca 0.40 -0.72 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 2i4m s TRP 42 Cb -0.24 -2.50 0.06 0.00 -1.15 0.00 0.00 33.47 29.63 2i4m s TRP 42 CO 0.29 -0.59 1.08 -0.51 0.02 0.00 0.00 176.95 177.25 2i4m s LEU 43 N 1.62 2.77 0.24 2.99 1.43 -1.09 -4.48 118.68 122.16 2i4m s LEU 43 Ca 0.04 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 2i4m s LEU 43 Cb -0.19 -4.20 0.35 0.00 0.03 0.00 0.00 46.19 42.19 2i4m s LEU 43 CO 0.08 -1.97 1.60 -0.65 0.23 0.00 0.00 176.35 175.64 2i4m h PRO 44 N -1.09 0.01 -0.06 1.29 0.11 -1.81 0.31 132.00 130.76 2i4m h PRO 44 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2i4m h PRO 44 Cb 1.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2i4m h PRO 44 CO 0.56 0.01 0.03 1.25 -0.21 0.00 0.00 178.00 179.64 2i4m h LEU 45 N 0.01 0.05 -1.01 2.35 5.85 -1.80 -2.56 115.31 118.21 2i4m h LEU 45 Ca 0.39 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.14 2i4m h LEU 45 Cb 0.61 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2i4m h LEU 45 CO -0.80 0.04 0.66 1.23 -0.34 0.00 0.00 178.44 179.23 2i4m h GLY 46 N 0.07 1.46 1.46 3.75 0.00 -1.12 -2.51 103.07 106.18 2i4m h GLY 46 Ca 0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2i4m h GLY 46 CO -0.01 0.45 0.02 0.84 0.00 0.00 0.00 176.54 177.84 2i4m h HIS 47 N 1.30 0.70 -0.70 5.60 -0.00 -0.95 -0.13 115.15 120.97 2i4m h HIS 47 Ca 0.39 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.68 2i4m h HIS 47 Cb -0.04 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 2i4m h HIS 47 CO -0.00 0.66 0.42 0.00 -0.00 0.00 0.00 177.93 179.01 2i4m h ARG 48 N 0.63 0.96 -0.16 5.26 3.08 -1.04 0.24 114.38 123.34 2i4m h ARG 48 Ca 0.13 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2i4m h ARG 48 Cb 0.38 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2i4m h ARG 48 CO 0.01 0.68 -0.02 0.28 -1.07 0.00 0.00 179.97 179.85 2i4m h VAL 49 N 0.96 1.27 -0.71 2.04 2.07 -1.27 -2.49 116.25 118.12 2i4m h VAL 49 Ca 0.25 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.91 2i4m h VAL 49 Cb -0.03 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 2i4m h VAL 49 CO -0.05 0.28 0.38 0.25 0.02 0.00 0.00 177.57 178.45 2i4m h LEU 50 N 0.03 0.53 -0.58 2.57 5.85 -0.67 -1.06 115.31 121.97 2i4m h LEU 50 Ca 0.04 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2i4m h LEU 50 Cb 0.43 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2i4m h LEU 50 CO 0.01 0.32 0.36 0.11 -0.34 0.00 0.00 178.44 178.90 2i4m h LYS 51 N 0.66 0.70 -0.64 1.25 1.79 -0.45 -1.32 116.57 118.56 2i4m h LYS 51 Ca 0.34 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 2i4m h LYS 51 Cb 0.29 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 2i4m h LYS 51 CO -0.23 0.46 0.27 0.87 -1.08 0.00 0.00 179.45 179.74 2i4m h LYS 52 N 0.72 0.95 -0.70 3.15 1.79 -0.77 -0.17 116.57 121.54 2i4m h LYS 52 Ca 0.23 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2i4m h LYS 52 Cb -0.00 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 2i4m h LYS 52 CO -0.09 0.79 0.20 0.82 -1.08 0.00 0.00 179.45 180.09 2i4m h ILE 53 N 0.90 1.26 -0.25 1.86 2.04 -1.15 -2.31 117.51 119.86 2i4m h ILE 53 Ca 0.22 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2i4m h ILE 53 Cb 0.19 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2i4m h ILE 53 CO -0.02 0.35 0.15 -0.08 0.00 0.00 0.00 178.15 178.55 2i4m h GLU 54 N 1.04 0.34 -0.86 2.37 4.81 -0.43 -2.07 114.58 119.79 2i4m h GLU 54 Ca 0.22 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2i4m h GLU 54 Cb 0.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2i4m h GLU 54 CO -0.00 0.28 0.48 0.37 -0.73 0.00 0.00 179.01 179.41 2i4m h GLN 55 N 0.31 1.19 -0.11 1.92 5.75 -0.90 -1.16 115.11 122.11 2i4m h GLN 55 Ca 0.09 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2i4m h GLN 55 Cb 0.03 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 2i4m h GLN 55 CO -0.02 0.87 -0.01 0.82 -2.65 0.00 0.00 178.83 177.84 2i4m h ILE 56 N 1.20 1.26 -0.45 2.39 2.04 -1.19 0.14 117.51 122.91 2i4m h ILE 56 Ca 0.30 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.34 2i4m h ILE 56 Cb 0.02 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2i4m h ILE 56 CO -0.05 0.25 0.25 0.58 0.00 0.00 0.00 178.15 179.17 2i4m h VAL 57 N -0.08 1.00 -0.35 1.67 2.07 -1.23 -1.00 116.25 118.34 2i4m h VAL 57 Ca 0.03 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2i4m h VAL 57 Cb 0.38 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2i4m h VAL 57 CO 0.01 0.09 0.16 -0.09 0.02 0.00 0.00 177.57 177.75 2i4m h ARG 58 N 0.49 0.32 -0.35 1.57 2.43 -1.06 -1.73 114.38 116.04 2i4m h ARG 58 Ca 0.19 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2i4m h ARG 58 Cb 0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2i4m h ARG 58 CO -0.11 0.21 0.15 0.93 -1.51 0.00 0.00 179.97 179.64 2i4m h GLU 59 N 0.33 0.31 -0.45 0.20 5.08 0.29 -0.96 114.58 119.38 2i4m h GLU 59 Ca 0.15 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2i4m h GLU 59 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2i4m h GLU 59 CO -0.12 0.21 -0.06 0.93 -1.00 0.00 0.00 179.01 178.97 2i4m h GLU 60 N 0.32 0.77 -0.37 2.33 4.39 -1.20 0.33 114.58 121.16 2i4m h GLU 60 Ca 0.15 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2i4m h GLU 60 Cb 0.10 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2i4m h GLU 60 CO -0.13 0.82 0.22 1.96 -1.16 0.00 0.00 179.01 180.72 2i4m h GLN 61 N 0.71 0.44 -0.49 2.33 1.08 -0.65 -2.48 115.11 116.05 2i4m h GLN 61 Ca 0.13 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 2i4m h GLN 61 Cb 0.52 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2i4m h GLN 61 CO 0.03 0.29 -0.09 -0.91 -0.95 0.00 0.00 178.83 177.20 2i4m h ASN 62 N 0.45 0.88 0.09 1.46 2.35 -0.95 -1.59 115.58 118.27 2i4m h ASN 62 Ca 0.14 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2i4m h ASN 62 Cb -0.01 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 2i4m h ASN 62 CO -0.06 0.99 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.58 2i4m h ARG 63 N 0.81 0.00 -0.20 0.81 2.43 -0.78 0.17 114.38 117.61 2i4m h ARG 63 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2i4m h ARG 63 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2i4m h ARG 63 CO 0.04 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.54 2i4m n ALA 64 N -2.37 2.48 -0.06 2.80 0.00 -0.92 -4.90 120.51 117.53 2i4m n ALA 64 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2i4m n ALA 64 Cb 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.33 0.52 3.76 0.00 0.00 0.05 -4.98 105.19 105.87 2i4m n GLY 65 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 2.72 -0.11 4.61 0.00 -0.65 -4.75 121.76 121.36 2i4m s ALA 66 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2i4m s ALA 66 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2i4m s ALA 66 CO 0.00 -1.00 -0.11 0.42 0.00 0.00 0.00 175.76 175.07 2i4m s ILE 67 N -1.56 3.27 -0.11 0.00 1.01 0.19 -4.20 121.20 119.80 2i4m s ILE 67 Ca 0.72 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 2i4m s ILE 67 Cb -0.30 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2i4m s ILE 67 CO 0.35 0.54 0.45 -0.70 0.00 0.00 0.00 174.94 175.58 2i4m s GLU 68 N -0.01 4.30 0.00 2.79 2.12 -1.26 -0.93 118.70 125.72 2i4m s GLU 68 Ca -0.03 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2i4m s GLU 68 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2i4m s GLU 68 CO 0.04 0.21 0.00 1.47 -0.54 0.00 0.00 175.26 176.43 2i4m n LEU 69 N 3.52 0.00 -3.64 2.70 -0.00 0.10 -4.94 117.00 114.74 2i4m n LEU 69 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.79 2i4m n LEU 69 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.81 2i4m n LEU 69 CO 0.42 0.00 -0.13 -0.22 -0.00 0.00 0.00 177.39 177.46 2i4m s LEU 70 N 0.00 -0.32 0.16 1.47 2.96 -1.26 -4.18 118.68 117.51 2i4m s LEU 70 Ca 0.00 0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2i4m s LEU 70 Cb 0.00 0.72 -0.06 0.00 0.50 0.00 0.00 46.19 47.35 2i4m s LEU 70 CO 0.00 -0.25 0.46 -0.04 -1.32 0.00 0.00 176.35 175.20 2i4m s MET 71 N 2.43 3.74 0.78 1.98 -1.94 -1.26 -5.08 119.30 119.95 2i4m s MET 71 Ca 0.02 0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.03 2i4m s MET 71 Cb -0.12 -2.81 0.06 0.00 2.01 0.00 0.00 34.83 33.96 2i4m s MET 71 CO -0.09 0.43 1.10 -1.25 -0.01 0.00 0.00 175.02 175.21 2i4m s PRO 72 N -2.50 2.14 0.20 2.03 0.04 -1.26 -4.96 135.00 130.69 2i4m s PRO 72 Ca 0.41 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 2i4m s PRO 72 Cb -0.12 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.66 2i4m s PRO 72 CO 0.21 -1.74 1.64 1.79 0.04 0.00 0.00 177.00 178.94 2i4m h THR 73 N -1.09 1.26 -3.40 1.26 1.35 -1.96 -3.43 112.91 106.90 2i4m h THR 73 Ca -0.44 -1.21 -0.60 0.00 -0.55 0.00 0.00 66.41 63.61 2i4m h THR 73 Cb 1.24 0.94 -0.11 0.00 -1.73 0.00 0.00 68.15 68.49 2i4m h THR 73 CO 0.50 0.43 -0.35 -0.76 -0.25 0.00 0.00 175.52 175.09 2i4m s LEU 74 N -9.18 4.19 0.08 3.87 1.43 -1.26 -1.33 118.68 116.49 2i4m s LEU 74 Ca -0.11 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 2i4m s LEU 74 Cb 0.13 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2i4m s LEU 74 CO 0.85 0.05 -0.24 -1.10 0.23 0.00 0.00 176.35 176.14 2i4m s GLN 75 N 0.79 1.70 0.19 1.70 -0.21 -0.39 -4.95 119.66 118.49 2i4m s GLN 75 Ca 0.14 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.04 2i4m s GLN 75 Cb -0.13 -2.00 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 2i4m s GLN 75 CO 0.04 0.49 1.35 -0.51 -2.12 0.00 0.00 175.29 174.55 2i4m s LEU 76 N -1.67 4.40 0.30 2.90 1.43 -1.26 -0.08 118.68 124.70 2i4m s LEU 76 Ca 0.14 2.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.73 2i4m s LEU 76 Cb -0.10 -3.61 0.74 0.00 0.03 0.00 0.00 46.19 43.25 2i4m s LEU 76 CO 0.05 -0.59 1.73 0.00 0.23 0.00 0.00 176.35 177.77 2i4m h ALA 77 N 5.57 1.55 -0.88 4.21 0.00 -0.90 -2.64 119.26 126.17 2i4m h ALA 77 Ca -0.44 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2i4m h ALA 77 Cb 1.21 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2i4m h ALA 77 CO 0.79 -0.23 0.57 -0.44 0.00 0.00 0.00 179.25 179.95 2i4m h ASP 78 N 0.55 0.86 -0.54 0.00 3.45 -1.93 0.57 116.42 119.39 2i4m h ASP 78 Ca 0.57 0.01 0.04 0.00 0.43 0.00 0.00 57.03 58.08 2i4m h ASP 78 Cb 1.01 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.56 2i4m h ASP 78 CO -0.46 0.54 0.30 0.25 -1.57 0.00 0.00 179.24 178.31 2i4m h LEU 79 N 0.97 0.46 -0.99 1.55 5.85 -1.87 -1.34 115.31 119.94 2i4m h LEU 79 Ca 0.38 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 2i4m h LEU 79 Cb 0.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2i4m h LEU 79 CO -0.15 0.32 -0.49 -0.50 -0.34 0.00 0.00 178.44 177.28 2i4m h TRP 80 N 0.59 0.03 -0.75 1.25 4.06 -1.02 -2.54 115.95 117.57 2i4m h TRP 80 Ca 0.23 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 2i4m h TRP 80 Cb 0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 2i4m h TRP 80 CO -0.08 0.51 0.45 0.00 -3.56 0.00 0.00 178.44 175.77 2i4m h ARG 81 N 0.02 1.02 -0.91 0.49 3.08 -0.04 -2.23 114.38 115.81 2i4m h ARG 81 Ca -0.00 -0.09 0.13 0.00 0.07 0.00 0.00 59.98 60.09 2i4m h ARG 81 Cb 0.88 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 2i4m h ARG 81 CO 0.07 0.71 0.58 0.93 -1.07 0.00 0.00 179.97 181.19 2i4m h GLU 82 N 1.04 0.77 -0.01 0.04 5.08 -0.86 -2.38 114.58 118.26 2i4m h GLU 82 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2i4m h GLU 82 Cb -0.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2i4m h GLU 82 CO -0.05 0.51 -0.54 -1.13 -1.00 0.00 0.00 179.01 176.80 2i4m n SER 83 N -4.57 1.25 -0.88 1.42 3.41 -1.10 -4.64 113.62 108.50 2i4m n SER 83 Ca 0.17 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.68 2i4m n SER 83 Cb 0.41 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 2i4m n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i4m n GLY 84 N 1.43 0.63 0.04 5.00 0.00 -0.90 -4.91 105.19 106.48 2i4m n GLY 84 Ca 0.08 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2i4m n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m n ARG 85 N -2.38 0.61 0.00 1.61 1.74 -0.89 -4.40 116.66 112.95 2i4m n ARG 85 Ca -0.10 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 2i4m n ARG 85 Cb 0.43 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2i4m n ARG 85 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2i4m n TYR 86 N -2.33 0.00 0.44 -1.55 9.36 -1.07 0.47 117.16 122.47 2i4m n TYR 86 Ca -0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.32 2i4m n TYR 86 Cb 0.55 -0.44 0.48 0.00 -0.63 0.00 0.00 39.34 39.30 2i4m n TYR 86 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2i4m h ASP 87 N 0.00 0.00 0.42 2.98 3.32 -1.90 -3.28 116.42 117.97 2i4m h ASP 87 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 2i4m h ASP 87 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2i4m h ASP 87 CO 0.00 0.00 -1.65 0.00 -1.72 0.00 0.00 179.24 175.87 2i4m h ALA 88 N 2.29 0.46 -0.36 3.45 0.00 -1.27 -3.38 119.26 120.45 2i4m h ALA 88 Ca 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 54.91 53.72 2i4m h ALA 88 Cb 0.52 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2i4m h ALA 88 CO 0.00 1.31 -0.12 -0.92 0.00 0.00 0.00 179.25 179.52 2i4m h TYR 89 N 0.05 -0.29 0.00 0.00 3.20 -0.04 -3.49 116.97 116.40 2i4m h TYR 89 Ca -0.28 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2i4m h TYR 89 Cb 2.01 0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.46 2i4m h TYR 89 CO 0.04 -0.20 0.00 0.41 -1.64 0.00 0.00 178.16 176.78 2i4m n GLY 90 N -1.32 1.53 0.00 1.82 0.00 -1.26 -4.83 105.19 101.13 2i4m n GLY 90 Ca 0.01 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.33 0.01 0.00 1.61 -0.04 -1.26 -2.50 135.00 131.49 2i4m n PRO 91 Ca 0.00 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 2i4m n PRO 91 Cb 0.00 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.65 2i4m n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i4m n GLU 92 N -1.46 0.21 -2.98 0.54 1.02 -1.26 -4.64 120.64 112.06 2i4m n GLU 92 Ca 0.02 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 2i4m n GLU 92 Cb 0.06 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 2i4m n GLU 92 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2i4m s MET 93 N -2.79 4.09 -0.22 3.49 1.75 -1.04 0.11 119.30 124.69 2i4m s MET 93 Ca 0.21 0.70 -0.29 0.00 -1.25 0.00 0.00 55.69 55.06 2i4m s MET 93 Cb 0.20 -3.67 0.00 0.00 2.84 0.00 0.00 34.83 34.20 2i4m s MET 93 CO 0.50 -0.53 1.14 -1.17 -0.65 0.00 0.00 175.02 174.30 2i4m s LEU 94 N 2.76 4.10 -0.13 4.11 2.96 -1.26 -4.92 118.68 126.30 2i4m s LEU 94 Ca 0.31 1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 55.60 2i4m s LEU 94 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2i4m s LEU 94 CO 0.09 -0.74 0.12 -0.13 -1.32 0.00 0.00 176.35 174.37 2i4m s ARG 95 N 3.40 3.52 0.09 1.98 0.52 -1.26 -1.67 118.95 125.52 2i4m s ARG 95 Ca 0.49 -0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2i4m s ARG 95 Cb -0.17 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 2i4m s ARG 95 CO 0.11 0.68 -0.18 0.42 0.02 0.00 0.00 175.30 176.35 2i4m s ILE 96 N -0.76 1.44 -0.14 1.52 1.01 0.30 -4.96 121.20 119.61 2i4m s ILE 96 Ca 0.13 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.37 2i4m s ILE 96 Cb -0.12 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2i4m s ILE 96 CO 0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 174.94 174.65 2i4m s ALA 97 N -1.20 2.07 0.92 9.38 0.00 -1.26 -1.05 121.76 130.61 2i4m s ALA 97 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 2i4m s ALA 97 Cb -0.10 -1.00 0.18 0.00 0.00 0.00 0.00 23.12 22.20 2i4m s ALA 97 CO 0.03 -0.16 1.27 0.16 0.00 0.00 0.00 175.76 177.06 2i4m s ASP 98 N 1.06 3.39 0.61 0.00 1.47 -1.08 -4.87 116.67 117.24 2i4m s ASP 98 Ca -0.03 0.22 0.31 0.00 1.18 0.00 0.00 52.55 54.23 2i4m s ASP 98 Cb -0.14 -0.34 1.76 0.00 -0.34 0.00 0.00 42.92 43.85 2i4m s ASP 98 CO -0.05 -2.55 2.13 0.08 0.68 0.00 0.00 175.17 175.45 2i4m h ARG 99 N -1.44 0.00 -0.63 2.11 0.11 -2.01 0.21 114.38 112.74 2i4m h ARG 99 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2i4m h ARG 99 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2i4m h ARG 99 CO 0.40 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.19 2i4m n HIS 100 N -3.64 1.10 -2.31 4.08 8.25 -1.26 -4.93 115.22 116.51 2i4m n HIS 100 Ca 0.00 -0.47 -0.19 0.00 -0.26 0.00 0.00 57.72 56.81 2i4m n HIS 100 Cb 0.28 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 1.06 -1.50 -3.02 -0.41 5.02 0.75 -4.99 118.16 115.06 2i4m n LYS 101 Ca 0.21 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.06 2i4m n LYS 101 Cb 0.68 -5.48 -0.06 0.00 -0.02 0.00 0.00 35.03 30.15 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 -4.87 4.41 -0.38 1.97 0.52 -1.26 -4.85 118.95 114.49 2i4m s ARG 102 Ca 0.00 1.03 -0.21 0.00 -0.52 0.00 0.00 55.73 56.03 2i4m s ARG 102 Cb 0.00 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.46 2i4m s ARG 102 CO 0.00 0.46 0.69 -1.21 0.02 0.00 0.00 175.30 175.26 2i4m s GLU 103 N -1.64 3.60 0.31 3.54 2.02 -1.26 -2.64 118.70 122.63 2i4m s GLU 103 Ca 0.41 0.03 0.10 0.00 0.02 0.00 0.00 54.97 55.53 2i4m s GLU 103 Cb -0.19 -3.85 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 2i4m s GLU 103 CO 0.23 -0.86 -0.06 -0.51 0.02 0.00 0.00 175.26 174.08 2i4m s LEU 104 N 2.90 2.87 0.09 1.80 1.43 -0.22 -0.22 118.68 127.35 2i4m s LEU 104 Ca 0.27 -0.98 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2i4m s LEU 104 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2i4m s LEU 104 CO 0.17 -0.12 -0.08 -1.48 0.23 0.00 0.00 176.35 175.07 2i4m s LEU 105 N -3.64 2.46 -0.26 1.79 2.34 0.89 0.11 118.68 122.37 2i4m s LEU 105 Ca 0.33 -0.91 -0.27 0.00 0.06 0.00 0.00 54.13 53.34 2i4m s LEU 105 Cb -0.02 -0.15 0.01 0.00 -0.56 0.00 0.00 46.19 45.47 2i4m s LEU 105 CO 0.18 -0.38 0.94 -0.47 -1.06 0.00 0.00 176.35 175.55 2i4m s TYR 106 N -3.09 3.28 0.11 3.48 6.04 -0.67 -1.26 117.35 125.23 2i4m s TYR 106 Ca 0.08 1.22 -0.31 0.00 0.04 0.00 0.00 57.07 58.10 2i4m s TYR 106 Cb 0.02 -3.26 -0.09 0.00 -1.04 0.00 0.00 41.96 37.58 2i4m s TYR 106 CO -0.03 -0.52 1.73 0.20 -1.54 0.00 0.00 175.55 175.39 2i4m s GLY 107 N 1.39 1.44 0.00 8.97 0.00 -0.44 -4.39 107.32 114.29 2i4m s GLY 107 Ca 0.40 1.35 0.29 0.00 0.00 0.00 0.00 44.72 46.75 2i4m s GLY 107 CO 0.09 2.98 1.88 -1.55 0.00 0.00 0.00 173.10 176.50 2i4m n PRO 108 N 5.43 0.64 0.00 2.90 -0.04 -1.25 -2.50 135.00 140.18 2i4m n PRO 108 Ca 0.16 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2i4m n PRO 108 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2i4m n PRO 108 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2i4m n THR 109 N -1.01 0.00 -2.09 0.52 5.66 -1.26 -4.77 114.28 111.34 2i4m n THR 109 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2i4m n THR 109 Cb 0.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 0.00 0.13 0.18 1.09 4.13 -1.26 -4.91 115.26 114.62 2i4m n ASN 110 Ca 0.00 -1.85 -0.14 0.00 1.68 0.00 0.00 54.58 54.26 2i4m n ASN 110 Cb 0.00 -0.17 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 2i4m n ASN 110 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2i4m h GLU 111 N 0.17 -0.40 -0.15 3.52 3.07 -1.99 0.66 114.58 119.45 2i4m h GLU 111 Ca -0.06 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 2i4m h GLU 111 Cb 1.43 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.39 2i4m h GLU 111 CO 0.01 -0.27 -0.08 0.93 -1.40 0.00 0.00 179.01 178.20 2i4m h GLU 112 N -0.42 -0.06 -0.13 2.33 3.07 -1.95 -0.88 114.58 116.55 2i4m h GLU 112 Ca -0.03 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2i4m h GLU 112 Cb 0.35 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2i4m h GLU 112 CO 0.03 -0.04 0.06 1.98 -1.40 0.00 0.00 179.01 179.64 2i4m h MET 113 N -0.06 0.13 -0.15 2.33 4.05 -1.85 0.10 114.93 119.47 2i4m h MET 113 Ca 0.08 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2i4m h MET 113 Cb 0.19 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2i4m h MET 113 CO -0.19 0.09 0.05 0.97 0.23 0.00 0.00 176.91 178.06 2i4m h ILE 114 N 0.13 0.96 -0.44 1.77 6.09 -0.70 -1.51 117.51 123.82 2i4m h ILE 114 Ca 0.05 -0.04 0.09 0.00 -1.37 0.00 0.00 64.86 63.59 2i4m h ILE 114 Cb 0.01 0.83 -0.09 0.00 0.47 0.00 0.00 36.82 38.04 2i4m h ILE 114 CO -0.04 0.02 -0.14 0.74 -3.07 0.00 0.00 178.15 175.67 2i4m h THR 115 N 0.13 0.51 -0.65 2.19 2.02 -0.79 0.12 112.91 116.45 2i4m h THR 115 Ca 0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.38 2i4m h THR 115 Cb 0.04 0.51 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 2i4m h THR 115 CO -0.07 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 175.72 2i4m h GLU 116 N -0.04 0.09 -0.48 6.66 4.22 -0.35 0.70 114.58 125.39 2i4m h GLU 116 Ca 0.21 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.60 2i4m h GLU 116 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2i4m h GLU 116 CO -0.47 0.06 0.12 0.82 -2.18 0.00 0.00 179.01 177.36 2i4m h ILE 117 N 0.09 1.24 0.35 2.32 2.04 -0.11 -2.70 117.51 120.73 2i4m h ILE 117 Ca 0.34 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2i4m h ILE 117 Cb 0.56 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2i4m h ILE 117 CO -0.58 0.30 -0.22 0.15 0.00 0.00 0.00 178.15 177.80 2i4m h PHE 118 N 0.64 -0.56 0.00 1.37 3.57 0.57 -3.02 116.94 119.51 2i4m h PHE 118 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2i4m h PHE 118 Cb 0.32 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2i4m h PHE 118 CO 0.02 -0.33 -0.05 0.07 -2.23 0.00 0.00 178.31 175.78 2i4m h ARG 119 N -0.54 0.00 0.00 1.11 0.11 -0.86 0.12 114.38 114.32 2i4m h ARG 119 Ca -0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2i4m h ARG 119 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 2i4m h ARG 119 CO 0.04 0.05 -0.14 0.00 0.10 0.00 0.00 179.97 180.02 2i4m h ALA 120 N 1.95 0.97 0.00 0.08 0.00 -1.35 -3.39 119.26 117.52 2i4m h ALA 120 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2i4m h ALA 120 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2i4m h ALA 120 CO 0.01 0.18 -0.69 0.66 0.00 0.00 0.00 179.25 179.40 2i4m n TYR 121 N -3.22 0.00 -3.58 0.00 4.01 -0.44 -5.05 117.16 108.88 2i4m n TYR 121 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 2i4m n TYR 121 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.69 5.32 0.00 -0.72 -1.09 0.30 -4.97 121.20 118.34 2i4m s ILE 122 Ca 0.00 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2i4m s ILE 122 Cb 0.00 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2i4m s ILE 122 CO 0.00 0.35 0.00 0.29 -1.23 0.00 0.00 174.94 174.35 2i4m n LYS 123 N 4.05 1.83 -4.87 2.79 4.76 -1.26 -4.73 118.16 120.74 2i4m n LYS 123 Ca -0.13 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.05 2i4m n LYS 123 Cb 0.52 -0.96 -0.15 0.00 -1.84 0.00 0.00 35.03 32.60 2i4m n LYS 123 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2i4m s SER 124 N -2.25 2.42 0.60 4.39 1.04 -1.26 -2.21 113.70 116.43 2i4m s SER 124 Ca 0.00 -0.42 0.29 0.00 0.48 0.00 0.00 55.95 56.30 2i4m s SER 124 Cb 0.00 -0.24 1.15 0.00 0.10 0.00 0.00 66.02 67.03 2i4m s SER 124 CO 0.00 0.22 1.51 0.10 0.98 0.00 0.00 173.24 176.04 2i4m h TYR 125 N 5.36 0.00 -0.14 5.02 -0.00 -1.72 -0.10 116.97 125.39 2i4m h TYR 125 Ca -0.40 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.29 2i4m h TYR 125 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.87 2i4m h TYR 125 CO 0.43 0.00 -0.10 0.87 -0.00 0.00 0.00 178.16 179.37 2i4m h LYS 126 N 0.00 0.21 0.00 0.10 1.57 -1.95 -2.53 116.57 113.97 2i4m h LYS 126 Ca 0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2i4m h LYS 126 Cb 2.45 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.72 2i4m h LYS 126 CO -0.00 0.32 0.00 0.77 -0.57 0.00 0.00 179.45 179.96 2i4m h SER 127 N 0.20 0.00 -2.32 0.86 0.02 -1.43 -3.45 113.55 107.43 2i4m h SER 127 Ca 0.04 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.53 2i4m h SER 127 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2i4m h SER 127 CO 0.02 0.00 -0.33 -0.76 -1.14 0.00 0.00 176.83 174.62 2i4m s LEU 128 N -5.01 4.14 0.73 5.07 1.43 -0.95 -4.43 118.68 119.66 2i4m s LEU 128 Ca 0.02 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2i4m s LEU 128 Cb 0.09 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.34 2i4m s LEU 128 CO 0.41 -0.23 0.99 -0.81 0.23 0.00 0.00 176.35 176.94 2i4m n PRO 129 N -1.59 0.48 -3.73 1.29 -0.04 -1.26 -5.05 135.00 125.09 2i4m n PRO 129 Ca -0.06 0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 2i4m n PRO 129 Cb 0.57 -2.24 -0.17 0.00 -0.04 0.00 0.00 33.50 31.62 2i4m n PRO 129 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2i4m s LEU 130 N -3.34 0.73 -0.28 1.53 2.96 -0.74 -4.97 118.68 114.58 2i4m s LEU 130 Ca 0.73 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2i4m s LEU 130 Cb -0.34 -0.08 0.07 0.00 0.50 0.00 0.00 46.19 46.34 2i4m s LEU 130 CO 0.50 -0.17 -0.07 0.21 -1.32 0.00 0.00 176.35 175.50 2i4m s ASN 131 N 1.47 4.50 -0.18 3.68 3.04 -1.26 0.37 114.94 126.56 2i4m s ASN 131 Ca -0.04 -1.56 -0.06 0.00 0.04 0.00 0.00 52.86 51.23 2i4m s ASN 131 Cb -0.13 -1.55 -0.04 0.00 -1.54 0.00 0.00 41.25 38.00 2i4m s ASN 131 CO -0.03 -0.24 0.03 -0.76 -3.04 0.00 0.00 177.10 173.06 2i4m s LEU 132 N 1.07 3.61 0.12 3.21 1.43 0.94 0.56 118.68 129.62 2i4m s LEU 132 Ca -0.04 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2i4m s LEU 132 Cb -0.20 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2i4m s LEU 132 CO -0.06 0.16 0.13 -0.72 0.23 0.00 0.00 176.35 176.09 2i4m s TYR 133 N 0.45 0.55 0.13 0.29 -0.85 -0.11 -0.11 117.35 117.69 2i4m s TYR 133 Ca 0.01 -0.96 -0.11 0.00 -0.52 0.00 0.00 57.07 55.49 2i4m s TYR 133 Cb -0.13 -0.27 0.01 0.00 0.38 0.00 0.00 41.96 41.95 2i4m s TYR 133 CO 0.01 -0.56 0.29 -3.38 -1.52 0.00 0.00 175.55 170.39 2i4m s HIS 134 N -3.97 0.11 -0.23 -3.49 -3.43 -1.04 0.00 115.29 103.24 2i4m s HIS 134 Ca 0.16 -0.49 -0.01 0.00 -0.80 0.00 0.00 55.06 53.93 2i4m s HIS 134 Cb 0.06 0.05 0.02 0.00 -1.43 0.00 0.00 32.58 31.29 2i4m s HIS 134 CO -0.03 -0.66 -0.10 0.42 -2.00 0.00 0.00 174.74 172.37 2i4m s ILE 135 N -3.88 2.64 -0.00 -5.38 1.01 -1.26 -2.09 121.20 112.24 2i4m s ILE 135 Ca 0.08 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 2i4m s ILE 135 Cb 0.03 -2.29 0.07 0.00 0.01 0.00 0.00 42.46 40.28 2i4m s ILE 135 CO -0.08 0.30 0.64 -1.58 0.00 0.00 0.00 174.94 174.22 2i4m s GLN 136 N 1.31 1.09 0.34 2.79 2.00 -0.82 -4.97 119.66 121.40 2i4m s GLN 136 Ca 0.01 0.07 -0.27 0.00 -2.00 0.00 0.00 55.36 53.18 2i4m s GLN 136 Cb -0.16 0.51 -0.09 0.00 0.80 0.00 0.00 33.01 34.07 2i4m s GLN 136 CO -0.07 -0.37 1.06 -1.58 -0.50 0.00 0.00 175.29 173.83 2i4m s TRP 137 N -1.76 3.44 0.21 1.67 0.52 -1.26 -2.56 118.94 119.20 2i4m s TRP 137 Ca -0.08 1.69 0.04 0.00 0.02 0.00 0.00 56.10 57.76 2i4m s TRP 137 Cb -0.00 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2i4m s TRP 137 CO 0.05 -0.52 -0.03 0.15 0.02 0.00 0.00 176.95 176.62 2i4m s LYS 138 N -2.00 1.27 -0.02 4.98 1.02 -0.50 -4.81 119.74 119.69 2i4m s LYS 138 Ca 0.51 -1.62 0.03 0.00 0.02 0.00 0.00 55.97 54.92 2i4m s LYS 138 Cb -0.26 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.41 2i4m s LYS 138 CO 0.33 -0.05 -0.12 0.12 -0.92 0.00 0.00 175.35 174.72 2i4m s PHE 139 N -3.38 1.10 -0.06 3.18 5.36 -1.04 -2.49 117.98 120.65 2i4m s PHE 139 Ca 0.25 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 2i4m s PHE 139 Cb 0.05 -0.73 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 2i4m s PHE 139 CO 0.07 -0.06 0.02 1.03 -1.46 0.00 0.00 175.22 174.82 2i4m s ARG 140 N -0.10 0.34 -1.31 10.12 0.52 -0.65 -3.84 118.95 124.03 2i4m s ARG 140 Ca 0.01 0.20 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 2i4m s ARG 140 Cb -0.07 -0.76 -0.07 0.00 0.52 0.00 0.00 34.95 34.57 2i4m s ARG 140 CO 0.00 -0.29 2.55 -3.47 0.02 0.00 0.00 175.30 174.11 2i4m n ASP 141 N 5.10 6.77 -3.61 0.23 -0.08 0.31 -4.39 116.55 120.88 2i4m n ASP 141 Ca -0.08 -2.49 -0.42 0.00 -1.51 0.00 0.00 54.79 50.29 2i4m n ASP 141 Cb 0.50 -1.37 -0.04 0.00 2.34 0.00 0.00 41.12 42.56 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 4.09 0.00 0.04 -0.67 4.07 -1.26 -4.51 120.64 122.40 2i4m n GLU 142 Ca 0.63 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.60 2i4m n GLU 142 Cb 0.21 -0.94 -0.09 0.00 -0.06 0.00 0.00 31.44 30.56 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 1.32 -0.08 -3.31 5.31 4.15 -1.96 -3.34 115.11 117.20 2i4m h GLN 143 Ca -0.29 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 58.49 2i4m h GLN 143 Cb 1.17 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.48 2i4m h GLN 143 CO 0.48 0.23 -0.51 1.03 -1.93 0.00 0.00 178.83 178.13 2i4m s ARG 144 N -4.92 2.36 0.01 1.69 1.81 -1.26 -5.08 118.95 113.57 2i4m s ARG 144 Ca -0.15 -2.91 -0.38 0.00 -1.72 0.00 0.00 55.73 50.57 2i4m s ARG 144 Cb 0.03 -3.48 -0.19 0.00 -0.45 0.00 0.00 34.95 30.85 2i4m s ARG 144 CO 0.65 -1.19 1.01 -2.30 -0.68 0.00 0.00 175.30 172.78 2i4m n PRO 145 N 2.72 0.00 -3.53 3.54 -0.01 -1.26 -4.90 135.00 131.57 2i4m n PRO 145 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 63.50 63.50 2i4m n PRO 145 Cb 0.34 -1.43 -0.02 0.00 -0.01 0.00 0.00 33.50 32.38 2i4m n PRO 145 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 2i4m s ARG 146 N -0.05 1.35 -1.29 -0.52 3.52 0.97 -4.80 118.95 118.13 2i4m s ARG 146 Ca 0.87 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.84 2i4m s ARG 146 Cb -1.21 0.58 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 2i4m s ARG 146 CO 0.55 -0.59 0.38 1.19 -0.81 0.00 0.00 175.30 176.02 2i4m n PHE 147 N -0.38 -1.39 0.00 5.12 3.72 -1.26 -1.76 117.46 121.50 2i4m n PHE 147 Ca -0.14 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2i4m n PHE 147 Cb 0.64 -3.71 0.00 0.00 -0.94 0.00 0.00 39.48 35.46 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 -1.29 3.49 0.15 1.37 0.00 -1.26 -2.30 105.19 105.34 2i4m n GLY 148 Ca -0.12 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.93 0.09 1.61 0.24 -1.26 -3.65 118.33 116.29 2i4m n VAL 149 Ca 0.00 0.47 0.01 0.00 -2.04 0.00 0.00 64.34 62.79 2i4m n VAL 149 Cb 0.00 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 30.91 2i4m n VAL 149 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2i4m h MET 150 N 0.00 0.00 -2.08 7.34 2.07 -1.66 -3.37 114.93 117.23 2i4m h MET 150 Ca 0.00 0.00 -0.57 0.00 -2.07 0.00 0.00 59.70 57.06 2i4m h MET 150 Cb 0.19 0.00 -0.39 0.00 -1.87 0.00 0.00 31.60 29.53 2i4m h MET 150 CO 0.00 0.42 -1.08 -2.13 1.07 0.00 0.00 176.91 175.19 2i4m n ARG 151 N -3.08 0.62 0.00 1.72 0.63 -0.73 -5.02 116.66 110.80 2i4m n ARG 151 Ca -0.03 -3.22 0.00 0.00 -0.92 0.00 0.00 57.85 53.68 2i4m n ARG 151 Cb 0.78 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.37 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 1.71 1.34 0.47 5.14 0.00 -1.25 -0.02 105.19 112.58 2i4m n GLY 152 Ca 0.23 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.50 1.61 1.74 -0.05 -4.60 116.66 111.86 2i4m n ARG 153 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 2i4m n ARG 153 Cb 0.00 -0.66 -0.09 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.80 4.03 0.08 5.56 2.12 -1.16 -1.63 118.70 125.90 2i4m s GLU 154 Ca 0.00 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 2i4m s GLU 154 Cb 0.00 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.80 2i4m s GLU 154 CO 0.00 -0.15 0.33 -0.59 -0.54 0.00 0.00 175.26 174.31 2i4m s PHE 155 N 1.67 -0.11 -0.19 5.30 -0.12 -1.04 -4.73 117.98 118.76 2i4m s PHE 155 Ca 0.12 -0.13 -0.07 0.00 -0.05 0.00 0.00 56.93 56.80 2i4m s PHE 155 Cb -0.15 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2i4m s PHE 155 CO 0.09 -0.59 0.04 -1.17 -0.05 0.00 0.00 175.22 173.54 2i4m s LEU 156 N -2.46 3.61 -0.03 -1.99 2.96 -1.26 -1.41 118.68 118.10 2i4m s LEU 156 Ca -0.00 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2i4m s LEU 156 Cb 0.01 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.81 2i4m s LEU 156 CO -0.08 0.13 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.75 2i4m s MET 157 N 0.64 0.40 -0.47 1.98 -2.45 -1.06 -1.59 119.30 116.74 2i4m s MET 157 Ca 0.02 0.04 -0.26 0.00 -1.25 0.00 0.00 55.69 54.23 2i4m s MET 157 Cb -0.13 -0.54 0.03 0.00 1.25 0.00 0.00 34.83 35.43 2i4m s MET 157 CO 0.02 -0.12 0.99 0.21 1.05 0.00 0.00 175.02 177.17 2i4m s LYS 158 N 0.98 3.57 -0.13 4.11 2.36 -0.80 -1.94 119.74 127.89 2i4m s LYS 158 Ca -0.10 0.25 -0.00 0.00 -2.55 0.00 0.00 55.97 53.56 2i4m s LYS 158 Cb -0.14 -3.93 -0.02 0.00 -1.05 0.00 0.00 37.83 32.70 2i4m s LYS 158 CO -0.01 -1.29 -0.12 0.16 1.55 0.00 0.00 175.35 175.63 2i4m s ASP 159 N 2.36 4.09 0.11 1.43 -4.77 -0.89 -0.93 116.67 118.07 2i4m s ASP 159 Ca 0.40 -0.30 0.10 0.00 -3.30 0.00 0.00 52.55 49.45 2i4m s ASP 159 Cb -0.09 -1.57 -0.04 0.00 -1.09 0.00 0.00 42.92 40.13 2i4m s ASP 159 CO 0.28 0.18 -0.23 0.00 0.70 0.00 0.00 175.17 176.10 2i4m s ALA 160 N 0.26 2.51 -0.03 2.11 0.00 0.49 -2.50 121.76 124.59 2i4m s ALA 160 Ca -0.09 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2i4m s ALA 160 Cb -0.15 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2i4m s ALA 160 CO 0.05 0.56 -0.02 0.71 0.00 0.00 0.00 175.76 177.07 2i4m s TYR 161 N -1.06 0.41 0.07 0.00 2.02 0.84 -1.19 117.35 118.45 2i4m s TYR 161 Ca 0.15 -0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 2i4m s TYR 161 Cb -0.10 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 2i4m s TYR 161 CO 0.07 -0.11 -0.10 -1.54 -1.57 0.00 0.00 175.55 172.30 2i4m s SER 162 N 0.73 4.41 -0.17 2.29 1.04 -0.44 -0.04 113.70 121.52 2i4m s SER 162 Ca -0.08 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 2i4m s SER 162 Cb -0.11 -0.89 0.05 0.00 0.10 0.00 0.00 66.02 65.17 2i4m s SER 162 CO -0.01 0.21 -0.00 -0.36 0.98 0.00 0.00 173.24 174.06 2i4m s PHE 163 N -1.13 1.27 0.36 5.02 0.08 0.16 -2.93 117.98 120.81 2i4m s PHE 163 Ca 0.20 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.41 2i4m s PHE 163 Cb -0.11 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2i4m s PHE 163 CO 0.11 -0.58 0.07 -0.51 -0.10 0.00 0.00 175.22 174.21 2i4m s ASP 164 N 1.78 2.68 -0.05 1.36 1.01 0.12 -1.79 116.67 121.77 2i4m s ASP 164 Ca 0.00 -1.46 -0.16 0.00 0.71 0.00 0.00 52.55 51.65 2i4m s ASP 164 Cb -0.16 0.06 -0.31 0.00 1.01 0.00 0.00 42.92 43.53 2i4m s ASP 164 CO -0.07 -0.68 0.73 0.58 0.21 0.00 0.00 175.17 175.93 2i4m h VAL 165 N 1.97 1.14 -4.69 -1.27 2.07 -1.93 0.33 116.25 113.87 2i4m h VAL 165 Ca -0.40 -2.51 -0.48 0.00 0.82 0.00 0.00 66.70 64.13 2i4m h VAL 165 Cb 1.25 2.88 -0.11 0.00 -1.52 0.00 0.00 31.29 33.79 2i4m h VAL 165 CO 0.68 0.77 -0.42 -0.90 0.02 0.00 0.00 177.57 177.71 2i4m n ASP 166 N -3.84 0.64 0.00 0.57 5.68 -1.26 -4.44 116.55 113.90 2i4m n ASP 166 Ca -0.21 -2.98 0.01 0.00 -0.50 0.00 0.00 54.79 51.11 2i4m n ASP 166 Cb 0.97 1.11 0.34 0.00 -1.14 0.00 0.00 41.12 42.41 2i4m n ASP 166 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2i4m h GLU 167 N 0.00 0.52 0.24 0.11 4.81 -1.95 -2.99 114.58 115.32 2i4m h GLU 167 Ca -0.27 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2i4m h GLU 167 Cb 1.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2i4m h GLU 167 CO 0.41 0.48 -0.35 0.00 -0.73 0.00 0.00 179.01 178.82 2i4m h ALA 168 N 1.59 -0.96 -0.99 2.92 0.00 -2.00 -1.72 119.26 118.10 2i4m h ALA 168 Ca 0.12 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2i4m h ALA 168 Cb 0.19 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2i4m h ALA 168 CO -0.00 -1.01 0.62 0.78 0.00 0.00 0.00 179.25 179.64 2i4m h GLY 169 N -0.62 1.61 0.96 0.00 0.00 -1.97 -2.61 103.07 100.44 2i4m h GLY 169 Ca -0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2i4m h GLY 169 CO -0.10 0.07 0.15 0.00 0.00 0.00 0.00 176.54 176.65 2i4m h ALA 170 N 1.58 0.33 -0.05 3.60 0.00 -1.32 -0.79 119.26 122.62 2i4m h ALA 170 Ca 0.52 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2i4m h ALA 170 Cb 0.68 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2i4m h ALA 170 CO -0.29 -0.15 -0.04 -0.09 0.00 0.00 0.00 179.25 178.68 2i4m h ARG 171 N 0.31 0.07 -0.03 0.00 2.43 -1.01 0.38 114.38 116.54 2i4m h ARG 171 Ca 0.09 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2i4m h ARG 171 Cb 0.05 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2i4m h ARG 171 CO -0.02 0.12 0.00 0.87 -1.51 0.00 0.00 179.97 179.44 2i4m h LYS 172 N 0.08 0.05 -0.81 0.20 1.57 -1.01 -1.97 116.57 114.67 2i4m h LYS 172 Ca 0.02 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2i4m h LYS 172 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2i4m h LYS 172 CO 0.01 0.30 0.53 0.77 -0.57 0.00 0.00 179.45 180.49 2i4m h SER 173 N -0.21 0.88 -0.40 0.86 0.02 -0.29 -1.79 113.55 112.63 2i4m h SER 173 Ca 0.01 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2i4m h SER 173 Cb 0.27 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2i4m h SER 173 CO 0.00 0.62 0.22 0.22 -1.14 0.00 0.00 176.83 176.75 2i4m h TYR 174 N 1.03 0.57 0.11 3.45 3.20 -0.21 -2.50 116.97 122.62 2i4m h TYR 174 Ca 0.31 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2i4m h TYR 174 Cb -0.02 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2i4m h TYR 174 CO -0.00 0.41 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.97 2i4m h ASN 175 N 0.59 -0.12 -0.90 -2.11 2.35 -0.55 -1.83 115.58 113.00 2i4m h ASN 175 Ca 0.15 -0.38 0.20 0.00 -0.55 0.00 0.00 56.30 55.73 2i4m h ASN 175 Cb 0.04 0.03 -0.17 0.00 0.05 0.00 0.00 38.32 38.27 2i4m h ASN 175 CO -0.02 0.34 -0.13 0.11 -1.65 0.00 0.00 177.43 176.08 2i4m h LYS 176 N -0.62 0.02 -0.03 0.81 1.57 -1.36 0.87 116.57 117.83 2i4m h LYS 176 Ca -0.01 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 2i4m h LYS 176 Cb 0.49 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2i4m h LYS 176 CO 0.02 0.01 -0.88 0.52 -0.57 0.00 0.00 179.45 178.55 2i4m h MET 177 N 0.02 0.44 -0.48 3.15 2.86 -1.36 -1.09 114.93 118.47 2i4m h MET 177 Ca 0.47 -0.44 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2i4m h MET 177 Cb 0.81 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 2i4m h MET 177 CO -0.89 1.09 0.11 0.35 1.06 0.00 0.00 176.91 178.63 2i4m h PHE 178 N 0.26 0.18 0.15 -0.22 3.57 -0.53 -0.77 116.94 119.58 2i4m h PHE 178 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2i4m h PHE 178 Cb 1.51 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.24 2i4m h PHE 178 CO 0.06 0.02 -0.07 0.28 -2.23 0.00 0.00 178.31 176.36 2i4m h VAL 179 N 0.25 0.99 -1.18 1.41 2.07 -0.66 -2.65 116.25 116.48 2i4m h VAL 179 Ca 0.24 -0.75 0.35 0.00 0.82 0.00 0.00 66.70 67.35 2i4m h VAL 179 Cb 0.30 1.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 2i4m h VAL 179 CO -0.30 0.17 0.77 0.00 0.02 0.00 0.00 177.57 178.23 2i4m h ALA 180 N 0.20 2.52 0.06 1.67 0.00 -1.06 -1.48 119.26 121.17 2i4m h ALA 180 Ca -0.02 0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2i4m h ALA 180 Cb 0.44 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2i4m h ALA 180 CO 0.03 -1.02 -1.13 1.88 0.00 0.00 0.00 179.25 179.01 2i4m h TYR 181 N 0.23 1.03 -0.68 0.00 -1.99 -0.96 -1.30 116.97 113.30 2i4m h TYR 181 Ca 0.69 -0.60 0.01 0.00 2.00 0.00 0.00 58.73 60.83 2i4m h TYR 181 Cb 2.03 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 40.63 2i4m h TYR 181 CO -0.00 1.44 0.44 -0.07 -0.00 0.00 0.00 178.16 179.97 2i4m h LEU 182 N 0.33 0.76 0.34 3.88 3.38 -0.93 -1.79 115.31 121.28 2i4m h LEU 182 Ca -0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2i4m h LEU 182 Cb 1.80 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2i4m h LEU 182 CO 0.22 0.55 -0.16 0.03 0.09 0.00 0.00 178.44 179.16 2i4m h ARG 183 N 0.90 -0.44 -0.23 1.13 3.08 -1.49 -1.55 114.38 115.78 2i4m h ARG 183 Ca 0.25 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.36 2i4m h ARG 183 Cb -0.08 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 2i4m h ARG 183 CO -0.06 -0.23 -0.36 1.15 -1.07 0.00 0.00 179.97 179.40 2i4m h THR 184 N -0.56 0.00 -0.90 2.04 2.02 -0.92 0.13 112.91 114.72 2i4m h THR 184 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2i4m h THR 184 Cb 0.41 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2i4m h THR 184 CO 0.08 0.00 0.54 -0.26 0.37 0.00 0.00 175.52 176.24 2i4m h PHE 185 N -0.27 1.19 -0.58 3.16 0.04 -1.38 -1.01 116.94 118.08 2i4m h PHE 185 Ca 0.04 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.91 2i4m h PHE 185 Cb 0.39 -0.39 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 2i4m h PHE 185 CO -0.66 0.80 0.14 0.00 -0.60 0.00 0.00 178.31 177.99 2i4m h ALA 186 N 1.29 0.70 0.00 2.45 0.00 -0.55 0.49 119.26 123.64 2i4m h ALA 186 Ca 0.32 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2i4m h ALA 186 Cb -0.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2i4m h ALA 186 CO -0.06 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.45 2i4m n ARG 187 N -5.10 0.14 -0.92 0.00 1.74 0.40 -0.71 116.66 112.21 2i4m n ARG 187 Ca 0.08 0.56 -0.00 0.00 -0.77 0.00 0.00 57.85 57.72 2i4m n ARG 187 Cb 0.30 -1.88 0.33 0.00 -1.02 0.00 0.00 32.46 30.19 2i4m n ARG 187 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2i4m n MET 188 N -2.15 3.94 -1.87 5.56 2.81 0.14 -4.68 117.12 120.87 2i4m n MET 188 Ca -0.00 -3.10 -0.21 0.00 -1.81 0.00 0.00 57.70 52.58 2i4m n MET 188 Cb 0.09 -2.18 -0.06 0.00 -0.71 0.00 0.00 33.22 30.35 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 0.00 1.16 3.42 3.03 0.00 0.11 -4.88 105.19 108.04 2i4m n GLY 189 Ca 0.35 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.15 2.88 -0.85 0.99 1.43 -1.04 -5.04 118.68 111.89 2i4m s LEU 190 Ca 0.00 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 2i4m s LEU 190 Cb 0.00 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2i4m s LEU 190 CO 0.00 0.19 1.12 -0.54 0.23 0.00 0.00 176.35 177.34 2i4m s LYS 191 N 0.23 3.44 -0.15 1.70 1.02 -1.26 -3.49 119.74 121.24 2i4m s LYS 191 Ca -0.07 -1.38 -0.14 0.00 0.02 0.00 0.00 55.97 54.40 2i4m s LYS 191 Cb -0.15 -4.75 -0.05 0.00 -0.52 0.00 0.00 37.83 32.37 2i4m s LYS 191 CO 0.05 -1.84 0.31 0.00 -0.92 0.00 0.00 175.35 172.94 2i4m s ALA 192 N 3.43 3.59 -0.19 5.17 0.00 -1.26 -4.37 121.76 128.13 2i4m s ALA 192 Ca 0.31 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 2i4m s ALA 192 Cb -0.08 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2i4m s ALA 192 CO -0.03 0.12 0.08 0.42 0.00 0.00 0.00 175.76 176.34 2i4m s ILE 193 N 0.37 4.95 0.11 0.00 -1.09 0.14 -4.70 121.20 120.98 2i4m s ILE 193 Ca 0.17 0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.31 2i4m s ILE 193 Cb -0.13 -3.24 -0.08 0.00 -1.58 0.00 0.00 42.46 37.43 2i4m s ILE 193 CO 0.05 0.46 1.48 -2.84 -1.23 0.00 0.00 174.94 172.86 2i4m s PRO 194 N 0.36 4.27 -0.04 2.79 0.02 -1.26 -0.61 135.00 140.53 2i4m s PRO 194 Ca 0.04 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2i4m s PRO 194 Cb -0.12 -3.30 0.03 0.00 0.02 0.00 0.00 34.50 31.12 2i4m s PRO 194 CO -0.00 -0.55 -0.01 -1.64 -0.33 0.00 0.00 177.00 174.47 2i4m s MET 195 N 1.47 0.46 -0.06 5.54 -1.94 -0.19 -4.83 119.30 119.75 2i4m s MET 195 Ca 0.68 0.05 -0.39 0.00 -1.71 0.00 0.00 55.69 54.32 2i4m s MET 195 Cb -0.39 -0.64 -0.17 0.00 2.01 0.00 0.00 34.83 35.64 2i4m s MET 195 CO 0.30 -0.15 1.44 0.54 -0.01 0.00 0.00 175.02 177.14 2i4m n ARG 196 N 4.30 0.96 -4.45 2.03 1.74 -1.18 -0.53 116.66 119.53 2i4m n ARG 196 Ca -0.22 0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 56.96 2i4m n ARG 196 Cb 0.50 -1.98 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 2i4m n ARG 196 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i4m s ALA 197 N 1.46 2.64 -0.48 7.54 0.00 -0.55 -3.38 121.76 129.00 2i4m s ALA 197 Ca 0.90 -1.44 -0.34 0.00 0.00 0.00 0.00 51.96 51.08 2i4m s ALA 197 Cb -1.05 0.98 -0.13 0.00 0.00 0.00 0.00 23.12 22.92 2i4m s ALA 197 CO 0.55 -0.44 2.30 -1.91 0.00 0.00 0.00 175.76 176.26 2i4m n GLU 198 N -0.84 0.83 -1.82 0.00 2.13 -1.26 -4.72 120.64 114.96 2i4m n GLU 198 Ca -0.02 0.18 -0.30 0.00 0.66 0.00 0.00 57.16 57.68 2i4m n GLU 198 Cb 0.64 -2.39 0.06 0.00 0.27 0.00 0.00 31.44 30.01 2i4m n GLU 198 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2i4m s THR 199 N 8.22 3.33 0.00 6.31 -4.23 -1.26 -4.98 115.64 123.02 2i4m s THR 199 Ca 1.13 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 2i4m s THR 199 Cb -0.86 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 69.60 2i4m s THR 199 CO 0.47 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2i4m n GLY 200 N -2.85 1.21 0.18 3.99 0.00 -1.26 -4.93 105.19 101.52 2i4m n GLY 200 Ca 0.07 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2i4m n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i4m h PRO 201 N 0.00 0.00 -0.59 1.61 0.13 -2.03 -2.17 132.00 128.95 2i4m h PRO 201 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2i4m h PRO 201 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2i4m h PRO 201 CO 0.00 0.00 0.11 0.97 -0.23 0.00 0.00 178.00 178.85 2i4m h ILE 202 N 0.00 1.24 -0.31 -3.56 2.10 -1.98 -3.49 117.51 111.51 2i4m h ILE 202 Ca 0.00 -0.92 0.00 0.00 1.08 0.00 0.00 64.86 65.02 2i4m h ILE 202 Cb 0.59 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2i4m h ILE 202 CO 0.00 0.34 0.00 0.61 -1.08 0.00 0.00 178.15 178.02 2i4m n GLY 203 N -0.74 -0.49 5.31 8.18 0.00 -0.82 -5.05 105.19 111.58 2i4m n GLY 203 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -0.72 0.00 -0.02 0.00 -1.26 -4.59 105.19 98.60 2i4m n GLY 204 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.68 2i4m n GLY 204 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2i4m n ASP 205 N 0.52 1.01 -4.54 1.61 5.75 -1.26 -4.96 116.55 114.68 2i4m n ASP 205 Ca 0.00 -0.44 -0.43 0.00 -0.01 0.00 0.00 54.79 53.91 2i4m n ASP 205 Cb 0.00 1.02 -0.00 0.00 -1.03 0.00 0.00 41.12 41.11 2i4m n ASP 205 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2i4m s LEU 206 N -2.34 4.19 -0.30 -2.12 1.43 -1.26 -4.77 118.68 113.52 2i4m s LEU 206 Ca 0.01 -2.50 -0.15 0.00 -1.03 0.00 0.00 54.13 50.45 2i4m s LEU 206 Cb 0.02 -2.52 0.16 0.00 0.03 0.00 0.00 46.19 43.88 2i4m s LEU 206 CO 0.10 -1.08 1.01 -0.55 0.23 0.00 0.00 176.35 176.06 2i4m s SER 207 N 3.88 -0.52 -0.01 2.29 0.15 -1.26 -2.97 113.70 115.25 2i4m s SER 207 Ca 0.49 0.74 0.01 0.00 0.70 0.00 0.00 55.95 57.89 2i4m s SER 207 Cb 0.01 1.51 0.01 0.00 -1.71 0.00 0.00 66.02 65.84 2i4m s SER 207 CO 0.03 -0.11 -0.01 -1.00 1.20 0.00 0.00 173.24 173.36 2i4m s HIS 208 N 2.13 0.25 -0.16 3.44 3.76 -0.11 -1.48 115.29 123.13 2i4m s HIS 208 Ca -0.04 -0.02 -0.06 0.00 -0.15 0.00 0.00 55.06 54.79 2i4m s HIS 208 Cb -0.05 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 2i4m s HIS 208 CO -0.17 -0.06 0.04 -1.21 -0.85 0.00 0.00 174.74 172.50 2i4m s GLU 209 N 0.43 3.77 -0.36 1.40 2.02 0.31 -0.08 118.70 126.19 2i4m s GLU 209 Ca -0.04 -0.36 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 2i4m s GLU 209 Cb -0.07 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2i4m s GLU 209 CO -0.01 0.36 0.59 -0.06 0.02 0.00 0.00 175.26 176.16 2i4m s PHE 210 N 0.10 3.16 -0.07 1.61 0.08 -0.18 -1.02 117.98 121.65 2i4m s PHE 210 Ca 0.04 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.40 2i4m s PHE 210 Cb -0.12 -3.06 -0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2i4m s PHE 210 CO 0.01 -0.60 -0.22 0.42 -0.10 0.00 0.00 175.22 174.72 2i4m s ILE 211 N 2.59 1.89 -0.08 0.64 1.01 0.22 -1.74 121.20 125.73 2i4m s ILE 211 Ca 0.22 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 2i4m s ILE 211 Cb -0.15 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2i4m s ILE 211 CO 0.14 0.53 0.32 -0.69 0.00 0.00 0.00 174.94 175.24 2i4m s VAL 212 N 0.16 5.22 0.13 2.92 1.01 -0.14 0.28 120.40 129.98 2i4m s VAL 212 Ca -0.11 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2i4m s VAL 212 Cb -0.15 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2i4m s VAL 212 CO 0.06 0.52 1.02 -0.76 0.00 0.00 0.00 175.10 175.95 2i4m s LEU 213 N -0.56 4.49 -0.28 3.92 1.43 -1.26 0.23 118.68 126.65 2i4m s LEU 213 Ca 0.20 1.92 -0.25 0.00 -1.03 0.00 0.00 54.13 54.96 2i4m s LEU 213 Cb -0.14 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.60 2i4m s LEU 213 CO 0.08 -0.14 1.01 0.00 0.23 0.00 0.00 176.35 177.53 2i4m s ALA 214 N -0.05 -1.96 -0.18 4.21 0.00 -0.04 -4.88 121.76 118.87 2i4m s ALA 214 Ca 0.48 1.89 0.29 0.00 0.00 0.00 0.00 51.96 54.63 2i4m s ALA 214 Cb -0.26 -1.42 1.08 0.00 0.00 0.00 0.00 23.12 22.52 2i4m s ALA 214 CO 0.32 -0.24 1.85 0.93 0.00 0.00 0.00 175.76 178.61 2i4m h GLU 215 N 4.27 0.00 0.00 0.00 5.08 -1.97 -2.34 114.58 119.62 2i4m h GLU 215 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2i4m h GLU 215 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2i4m h GLU 215 CO 0.10 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.36 2i4m n THR 216 N -2.83 0.41 -1.32 1.13 -2.24 -1.26 -4.93 114.28 103.25 2i4m n THR 216 Ca 0.02 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 2i4m n THR 216 Cb 0.33 -0.68 0.13 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.20 1.62 -0.16 3.38 0.00 -0.89 -5.03 107.32 103.04 2i4m s GLY 217 Ca 0.11 -0.13 0.16 0.00 0.00 0.00 0.00 44.72 44.85 2i4m s GLY 217 CO 0.48 0.34 0.23 -1.84 0.00 0.00 0.00 173.10 172.32 2i4m n GLU 218 N -3.76 0.67 -3.57 2.90 0.00 -0.86 -4.62 120.64 111.40 2i4m n GLU 218 Ca 0.07 0.08 -0.37 0.00 0.00 0.00 0.00 57.16 56.94 2i4m n GLU 218 Cb 0.56 -1.60 -0.07 0.00 0.00 0.00 0.00 31.44 30.33 2i4m n GLU 218 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2i4m s SER 219 N -5.70 6.50 0.07 -1.84 0.01 -1.05 -4.94 113.70 106.76 2i4m s SER 219 Ca -0.09 0.59 -0.16 0.00 1.31 0.00 0.00 55.95 57.60 2i4m s SER 219 Cb 0.07 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 2i4m s SER 219 CO 0.82 0.18 0.50 -0.83 0.41 0.00 0.00 173.24 174.32 2i4m s GLY 220 N -0.02 2.53 0.04 3.44 0.00 -1.26 0.15 107.32 112.21 2i4m s GLY 220 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.79 2i4m s GLY 220 CO 0.06 0.23 -0.06 -1.34 0.00 0.00 0.00 173.10 171.99 2i4m s VAL 221 N -1.21 0.41 -0.12 1.40 -7.23 0.15 -1.10 120.40 112.69 2i4m s VAL 221 Ca 0.30 -1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2i4m s VAL 221 Cb -0.17 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.11 2i4m s VAL 221 CO 0.17 -0.51 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.04 2i4m s TYR 222 N -1.81 1.71 0.01 2.82 2.02 -0.25 -1.59 117.35 120.27 2i4m s TYR 222 Ca -0.08 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.72 2i4m s TYR 222 Cb -0.07 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2i4m s TYR 222 CO -0.01 -0.56 -0.03 0.96 -1.57 0.00 0.00 175.55 174.33 2i4m s ILE 223 N 1.63 0.20 -0.51 2.71 -5.25 -0.62 -2.29 121.20 117.07 2i4m s ILE 223 Ca 0.05 -0.54 -0.26 0.00 -0.99 0.00 0.00 60.65 58.91 2i4m s ILE 223 Cb -0.13 -0.25 0.03 0.00 2.95 0.00 0.00 42.46 45.06 2i4m s ILE 223 CO -0.09 -0.23 0.98 -0.62 -1.79 0.00 0.00 174.94 173.20 2i4m s ASP 224 N -0.81 6.45 0.62 4.36 -1.08 -0.95 -1.64 116.67 123.63 2i4m s ASP 224 Ca -0.07 0.00 0.29 0.00 -0.52 0.00 0.00 52.55 52.25 2i4m s ASP 224 Cb -0.06 -2.47 1.52 0.00 -1.46 0.00 0.00 42.92 40.45 2i4m s ASP 224 CO -0.00 -1.18 1.89 -0.09 0.52 0.00 0.00 175.17 176.31 2i4m h ARG 225 N 9.23 0.00 -0.57 4.34 2.43 -1.50 -0.91 114.38 127.40 2i4m h ARG 225 Ca -0.25 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2i4m h ARG 225 Cb 1.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2i4m h ARG 225 CO 1.08 0.00 0.51 -0.44 -1.51 0.00 0.00 179.97 179.61 2i4m h ASP 226 N 0.00 0.00 0.23 -3.80 5.19 -1.93 -0.20 116.42 115.90 2i4m h ASP 226 Ca 0.11 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2i4m h ASP 226 Cb 0.94 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2i4m h ASP 226 CO -0.00 0.00 -0.08 1.62 -3.12 0.00 0.00 179.24 177.66 2i4m h VAL 227 N 0.00 0.60 0.00 -1.35 3.04 -1.53 -1.66 116.25 115.35 2i4m h VAL 227 Ca 0.27 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2i4m h VAL 227 Cb 1.29 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2i4m h VAL 227 CO -0.00 0.08 0.00 0.18 -1.01 0.00 0.00 177.57 176.82 2i4m n LEU 228 N -3.77 0.67 -0.16 3.16 4.77 -0.09 -3.34 117.00 118.24 2i4m n LEU 228 Ca -0.02 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.69 2i4m n LEU 228 Cb 0.18 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2i4m n LEU 228 CO 0.30 -0.55 0.10 0.59 -1.33 0.00 0.00 177.39 176.49 2i4m n ASN 229 N -2.24 1.10 -4.74 -1.43 5.03 -0.63 -5.01 115.26 107.34 2i4m n ASN 229 Ca 0.02 -1.05 -0.37 0.00 0.87 0.00 0.00 54.58 54.05 2i4m n ASN 229 Cb 0.23 0.75 0.06 0.00 -1.02 0.00 0.00 39.78 39.81 2i4m n ASN 229 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2i4m s LEU 230 N -2.36 3.66 0.17 3.41 1.43 -1.21 -4.99 118.68 118.79 2i4m s LEU 230 Ca 0.09 2.66 -0.10 0.00 -1.03 0.00 0.00 54.13 55.75 2i4m s LEU 230 Cb 0.12 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 2i4m s LEU 230 CO 0.50 -1.87 0.50 -2.16 0.23 0.00 0.00 176.35 173.54 2i4m s PRO 231 N -3.24 3.80 -0.35 1.29 0.04 -1.26 -5.05 135.00 130.23 2i4m s PRO 231 Ca 0.79 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 2i4m s PRO 231 Cb -0.38 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2i4m s PRO 231 CO 0.42 0.42 0.21 0.08 0.04 0.00 0.00 177.00 178.16 2i4m s VAL 232 N -1.65 4.85 -0.05 -0.36 1.01 -1.26 -5.03 120.40 117.91 2i4m s VAL 232 Ca 0.42 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 2i4m s VAL 232 Cb -0.13 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.56 2i4m s VAL 232 CO 0.21 -0.08 0.75 -2.65 0.00 0.00 0.00 175.10 173.33 2i4m n PRO 233 N 5.04 0.00 -0.61 2.72 -0.01 -1.26 -4.93 135.00 135.95 2i4m n PRO 233 Ca -0.13 0.00 -0.17 0.00 -0.01 0.00 0.00 63.50 63.19 2i4m n PRO 233 Cb 0.48 -0.98 0.14 0.00 -0.01 0.00 0.00 33.50 33.13 2i4m n PRO 233 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 2i4m n ASP 234 N 1.24 -1.58 0.00 2.55 5.68 -1.26 -4.83 116.55 118.35 2i4m n ASP 234 Ca 0.14 -0.89 0.09 0.00 -0.50 0.00 0.00 54.79 53.63 2i4m n ASP 234 Cb 0.04 -0.57 0.44 0.00 -1.14 0.00 0.00 41.12 39.88 2i4m n ASP 234 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2i4m n GLU 235 N -3.39 0.12 -0.27 0.11 0.28 -1.26 -3.29 120.64 112.94 2i4m n GLU 235 Ca 0.09 0.15 0.09 0.00 -0.16 0.00 0.00 57.16 57.33 2i4m n GLU 235 Cb 0.34 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.96 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 -1.41 2.94 -4.74 -1.84 3.02 -1.26 -4.98 115.26 106.99 2i4m n ASN 236 Ca 0.06 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 2i4m n ASN 236 Cb 0.19 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 2i4m n ASN 236 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2i4m n VAL 237 N 1.11 0.87 -2.75 2.41 0.31 -1.21 -4.91 118.33 114.16 2i4m n VAL 237 Ca 0.19 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 2i4m n VAL 237 Cb 0.47 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 2i4m n VAL 237 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i4m s ASP 238 N 0.59 6.62 0.00 4.52 2.15 -1.26 -4.89 116.67 124.40 2i4m s ASP 238 Ca 0.66 0.41 0.26 0.00 0.43 0.00 0.00 52.55 54.31 2i4m s ASP 238 Cb -0.50 -2.49 0.72 0.00 -0.30 0.00 0.00 42.92 40.36 2i4m s ASP 238 CO 0.46 -1.03 1.55 -1.22 -0.17 0.00 0.00 175.17 174.76 2i4m n TYR 239 N 7.20 0.00 0.71 -5.34 4.01 -1.26 -3.03 117.16 119.45 2i4m n TYR 239 Ca 0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.94 2i4m n TYR 239 Cb 0.48 -0.23 0.16 0.00 -0.31 0.00 0.00 39.34 39.45 2i4m n TYR 239 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2i4m n ASP 240 N -1.20 0.62 -2.82 7.72 8.00 -1.26 -4.95 116.55 122.66 2i4m n ASP 240 Ca 0.09 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2i4m n ASP 240 Cb 0.33 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2i4m n ASP 240 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i4m n GLY 241 N 1.40 0.30 3.13 0.44 0.00 -1.17 -5.05 105.19 104.24 2i4m n GLY 241 Ca 0.04 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2i4m n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i4m s ASP 242 N -1.00 4.83 0.00 1.61 2.15 -1.26 -4.97 116.67 118.04 2i4m s ASP 242 Ca 0.00 -1.46 0.28 0.00 0.43 0.00 0.00 52.55 51.80 2i4m s ASP 242 Cb 0.00 -1.69 1.07 0.00 -0.30 0.00 0.00 42.92 42.00 2i4m s ASP 242 CO 0.00 -0.29 1.75 0.18 -0.17 0.00 0.00 175.17 176.64 2i4m n LEU 243 N 4.55 1.30 -0.26 -1.34 4.77 -1.26 -4.33 117.00 120.42 2i4m n LEU 243 Ca -0.11 -0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 55.45 2i4m n LEU 243 Cb 0.43 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2i4m n LEU 243 CO 0.26 0.22 0.66 0.74 -1.33 0.00 0.00 177.39 177.94 2i4m h THR 244 N 1.97 0.17 -0.63 -5.08 2.02 -1.98 0.33 112.91 109.72 2i4m h THR 244 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2i4m h THR 244 Cb 0.46 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 66.97 2i4m h THR 244 CO 0.00 0.00 -0.37 -2.65 0.37 0.00 0.00 175.52 172.87 2i4m n PRO 245 N -5.47 -0.28 -0.26 6.66 -0.01 -1.26 0.16 135.00 134.54 2i4m n PRO 245 Ca 0.08 1.07 -0.06 0.00 -0.01 0.00 0.00 63.50 64.58 2i4m n PRO 245 Cb 0.38 -1.57 0.05 0.00 -0.01 0.00 0.00 33.50 32.35 2i4m n PRO 245 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 2i4m h ILE 246 N 0.00 1.23 -0.31 4.25 2.04 -0.76 -0.36 117.51 123.60 2i4m h ILE 246 Ca 0.10 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2i4m h ILE 246 Cb 0.26 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2i4m h ILE 246 CO -0.59 0.27 0.11 0.40 0.00 0.00 0.00 178.15 178.34 2i4m h ILE 247 N 0.99 1.19 -0.95 -0.67 1.08 0.51 -2.65 117.51 117.03 2i4m h ILE 247 Ca 0.25 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 2i4m h ILE 247 Cb 0.11 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 2i4m h ILE 247 CO -0.03 0.21 0.62 0.50 -0.69 0.00 0.00 178.15 178.76 2i4m h LYS 248 N 0.35 1.18 -0.02 2.37 3.64 0.19 0.70 116.57 124.97 2i4m h LYS 248 Ca 0.10 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2i4m h LYS 248 Cb 0.22 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2i4m h LYS 248 CO -0.01 0.78 -0.00 0.37 -2.27 0.00 0.00 179.45 178.32 2i4m h GLN 249 N 1.22 0.02 0.00 1.90 4.15 -0.72 0.12 115.11 121.79 2i4m h GLN 249 Ca 0.37 -0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.46 2i4m h GLN 249 Cb -0.03 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 2i4m h GLN 249 CO -0.10 0.03 -2.29 0.91 -1.93 0.00 0.00 178.83 175.44 2i4m n TRP 250 N -4.52 0.09 0.02 3.99 7.02 -0.64 -4.43 117.44 118.97 2i4m n TRP 250 Ca -0.03 0.03 -0.02 0.00 -1.02 0.00 0.00 57.50 56.47 2i4m n TRP 250 Cb 0.10 -0.97 -0.09 0.00 -2.42 0.00 0.00 31.31 27.93 2i4m n TRP 250 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2i4m h THR 251 N 0.00 0.59 -0.23 -0.99 1.35 -0.81 -3.37 112.91 109.44 2i4m h THR 251 Ca -0.48 -2.15 0.06 0.00 -0.55 0.00 0.00 66.41 63.29 2i4m h THR 251 Cb 2.11 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 70.60 2i4m h THR 251 CO 0.03 0.33 -0.19 0.77 -0.25 0.00 0.00 175.52 176.22 2i4m h SER 252 N 0.00 -0.60 -3.81 5.36 4.64 -0.97 -3.41 113.55 114.76 2i4m h SER 252 Ca -0.18 0.12 -0.49 0.00 -0.47 0.00 0.00 61.79 60.77 2i4m h SER 252 Cb 1.67 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 64.05 2i4m h SER 252 CO 0.05 -0.23 0.40 0.68 -0.87 0.00 0.00 176.83 176.87 2i4m s VAL 253 N -6.13 3.83 0.30 0.95 -7.23 -1.26 -4.98 120.40 105.88 2i4m s VAL 253 Ca -0.14 1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 61.49 2i4m s VAL 253 Cb 0.12 -4.08 -0.10 0.00 0.56 0.00 0.00 36.38 32.87 2i4m s VAL 253 CO 0.68 0.35 1.37 -0.47 -0.31 0.00 0.00 175.10 176.72 2i4m s TYR 254 N -1.27 3.01 -0.30 2.82 5.04 -1.26 -4.96 117.35 120.43 2i4m s TYR 254 Ca 0.45 1.26 -0.07 0.00 -2.44 0.00 0.00 57.07 56.27 2i4m s TYR 254 Cb -0.27 -3.75 0.16 0.00 0.35 0.00 0.00 41.96 38.45 2i4m s TYR 254 CO 0.34 -2.22 0.68 0.00 -1.34 0.00 0.00 175.55 173.01 2i4m s ALA 255 N -0.69 -2.27 -0.04 3.97 0.00 -1.26 -2.25 121.76 119.21 2i4m s ALA 255 Ca 0.53 2.05 -0.24 0.00 0.00 0.00 0.00 51.96 54.30 2i4m s ALA 255 Cb -0.41 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 20.75 2i4m s ALA 255 CO 0.50 -1.14 0.53 0.00 0.00 0.00 0.00 175.76 175.65 2i4m s ALA 256 N 2.85 -1.37 0.40 0.00 0.00 -0.97 -3.07 121.76 119.60 2i4m s ALA 256 Ca 0.07 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 2i4m s ALA 256 Cb -0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2i4m s ALA 256 CO -0.19 -0.32 0.62 0.95 0.00 0.00 0.00 175.76 176.81 2i4m s THR 257 N -1.17 4.64 0.53 0.00 -4.23 -1.22 -1.09 115.64 113.10 2i4m s THR 257 Ca -0.11 -0.42 0.22 0.00 -1.18 0.00 0.00 61.69 60.20 2i4m s THR 257 Cb -0.02 -3.71 0.22 0.00 1.34 0.00 0.00 72.50 70.33 2i4m s THR 257 CO 0.07 -0.49 1.66 1.05 -0.54 0.00 0.00 174.62 176.37 2i4m h GLU 258 N 0.56 0.00 -0.08 3.99 4.11 -1.49 -2.46 114.58 119.22 2i4m h GLU 258 Ca -0.48 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.73 2i4m h GLU 258 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2i4m h GLU 258 CO 0.60 0.00 -0.84 -0.44 0.07 0.00 0.00 179.01 178.40 2i4m h ASP 259 N 0.00 0.73 0.00 3.06 3.32 -1.94 -3.34 116.42 118.25 2i4m h ASP 259 Ca 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2i4m h ASP 259 Cb 0.84 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 2i4m h ASP 259 CO 0.00 1.30 -0.58 1.33 -1.72 0.00 0.00 179.24 179.56 2i4m n VAL 260 N -3.86 1.70 -2.78 -1.35 0.24 -0.94 -4.94 118.33 106.39 2i4m n VAL 260 Ca -0.07 -2.67 -0.42 0.00 -2.04 0.00 0.00 64.34 59.14 2i4m n VAL 260 Cb 0.77 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 2i4m n VAL 260 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2i4m s HIS 261 N -2.49 3.53 -0.53 6.34 5.04 -1.12 -4.90 115.29 121.16 2i4m s HIS 261 Ca 0.36 1.49 -0.07 0.00 -1.54 0.00 0.00 55.06 55.30 2i4m s HIS 261 Cb 0.36 -3.09 0.14 0.00 0.04 0.00 0.00 32.58 30.03 2i4m s HIS 261 CO -0.08 -0.15 0.38 -1.21 -2.34 0.00 0.00 174.74 171.34 2i4m s GLU 262 N 1.71 2.52 0.30 2.88 0.41 -1.26 -4.97 118.70 120.29 2i4m s GLU 262 Ca 0.45 -2.01 0.04 0.00 -0.41 0.00 0.00 54.97 53.05 2i4m s GLU 262 Cb -0.18 -3.87 0.80 0.00 -1.78 0.00 0.00 34.13 29.09 2i4m s GLU 262 CO 0.19 -1.18 1.63 -1.35 -0.49 0.00 0.00 175.26 174.06 2i4m h PRO 263 N 8.02 0.18 0.00 0.39 0.11 -1.99 0.78 132.00 139.49 2i4m h PRO 263 Ca -0.12 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2i4m h PRO 263 Cb 1.04 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2i4m h PRO 263 CO 0.79 0.12 -0.05 0.00 -0.21 0.00 0.00 178.00 178.65 2i4m h ALA 264 N 1.83 1.52 0.00 -0.75 0.00 -2.00 -1.84 119.26 118.02 2i4m h ALA 264 Ca 0.60 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 2i4m h ALA 264 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2i4m h ALA 264 CO -0.69 0.06 -2.03 -2.13 0.00 0.00 0.00 179.25 174.46 2i4m n ARG 265 N -3.89 0.66 -0.02 0.00 0.63 -0.29 -3.53 116.66 110.23 2i4m n ARG 265 Ca -0.03 -0.08 -0.13 0.00 -0.92 0.00 0.00 57.85 56.69 2i4m n ARG 265 Cb 0.14 -1.56 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 2i4m n ARG 265 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2i4m h TYR 266 N 0.00 0.11 0.00 -0.14 3.20 -0.70 -2.32 116.97 117.12 2i4m h TYR 266 Ca -0.20 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.59 2i4m h TYR 266 Cb 1.48 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2i4m h TYR 266 CO 0.00 0.54 -0.23 0.93 -1.64 0.00 0.00 178.16 177.76 2i4m h GLU 267 N -0.36 0.00 0.00 1.82 5.08 -1.53 -1.00 114.58 118.59 2i4m h GLU 267 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2i4m h GLU 267 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2i4m h GLU 267 CO 0.01 0.23 -0.07 0.66 -1.00 0.00 0.00 179.01 178.83 2i4m h SER 268 N 0.00 0.00 0.00 1.42 4.64 -1.57 -3.38 113.55 114.65 2i4m h SER 268 Ca -0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2i4m h SER 268 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2i4m h SER 268 CO 0.03 0.00 -1.67 -0.62 -0.87 0.00 0.00 176.83 173.70 2i4m n GLU 269 N -2.97 0.35 -3.62 4.77 1.02 -0.88 -5.00 120.64 114.31 2i4m n GLU 269 Ca 0.04 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 2i4m n GLU 269 Cb 0.52 -1.24 -0.11 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.24 4.73 0.19 2.62 1.01 -0.40 -5.02 120.40 121.29 2i4m s VAL 270 Ca -0.16 -0.42 -0.33 0.00 0.00 0.00 0.00 61.98 61.07 2i4m s VAL 270 Cb 0.04 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 2i4m s VAL 270 CO 0.28 0.02 1.58 -2.65 0.00 0.00 0.00 175.10 174.32 2i4m n PRO 271 N 5.01 2.28 0.00 2.72 -0.02 -1.26 -4.72 135.00 139.00 2i4m n PRO 271 Ca -0.13 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2i4m n PRO 271 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2i4m n PRO 271 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2i4m n GLU 272 N 3.19 0.00 0.18 -0.52 4.07 -1.26 0.06 120.64 126.36 2i4m n GLU 272 Ca 0.15 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.32 2i4m n GLU 272 Cb 0.31 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.90 2i4m n GLU 272 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i4m h ALA 273 N 0.00 0.85 0.00 4.31 0.00 -2.04 -3.20 119.26 119.18 2i4m h ALA 273 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2i4m h ALA 273 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2i4m h ALA 273 CO 0.00 0.42 -0.32 -0.91 0.00 0.00 0.00 179.25 178.44 2i4m h ASN 274 N 0.00 0.00 -4.03 0.00 2.35 -0.72 -3.47 115.58 109.71 2i4m h ASN 274 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2i4m h ASN 274 Cb 1.09 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.59 2i4m h ASN 274 CO 0.04 0.32 0.62 -0.13 -1.65 0.00 0.00 177.43 176.64 2i4m s ARG 275 N -3.24 3.30 -0.25 0.81 0.52 -1.17 -1.20 118.95 117.71 2i4m s ARG 275 Ca 0.03 2.25 -0.03 0.00 -0.52 0.00 0.00 55.73 57.47 2i4m s ARG 275 Cb 0.08 -2.36 0.14 0.00 0.52 0.00 0.00 34.95 33.34 2i4m s ARG 275 CO 0.69 -1.07 0.44 -1.17 0.02 0.00 0.00 175.30 174.21 2i4m s LEU 276 N -3.32 -0.82 -0.46 2.53 2.96 -0.65 -4.88 118.68 114.04 2i4m s LEU 276 Ca 0.69 0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 54.87 2i4m s LEU 276 Cb -0.41 1.40 0.04 0.00 0.50 0.00 0.00 46.19 47.73 2i4m s LEU 276 CO 0.49 -0.28 0.51 0.21 -1.32 0.00 0.00 176.35 175.96 2i4m s ASN 277 N 2.63 6.21 0.00 3.68 2.47 -1.26 -1.58 114.94 127.09 2i4m s ASN 277 Ca 0.13 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 52.59 2i4m s ASN 277 Cb -0.15 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2i4m s ASN 277 CO -0.17 -0.72 0.00 1.07 -3.72 0.00 0.00 177.10 173.57 2i4m n THR 278 N 5.50 0.00 -4.69 -5.21 5.66 -0.62 -5.00 114.28 109.92 2i4m n THR 278 Ca -0.07 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.62 2i4m n THR 278 Cb 0.46 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.15 2i4m n THR 278 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2i4m s ARG 279 N -1.29 2.08 0.29 1.09 1.70 -1.26 0.30 118.95 121.87 2i4m s ARG 279 Ca 0.00 -2.27 -0.09 0.00 -0.47 0.00 0.00 55.73 52.89 2i4m s ARG 279 Cb 0.00 -1.48 0.04 0.00 -0.57 0.00 0.00 34.95 32.94 2i4m s ARG 279 CO 0.00 -0.26 0.55 0.41 -1.08 0.00 0.00 175.30 174.92 2i4m n GLY 280 N -1.12 1.43 3.03 3.88 0.00 0.12 -0.86 105.19 111.67 2i4m n GLY 280 Ca -0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2i4m n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 281 N -2.40 1.73 -0.32 -0.61 1.01 0.14 -2.02 121.20 118.72 2i4m s ILE 281 Ca 0.14 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 2i4m s ILE 281 Cb -0.03 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2i4m s ILE 281 CO 0.10 0.29 1.30 -0.70 0.00 0.00 0.00 174.94 175.93 2i4m s GLU 282 N 1.38 3.86 -0.00 2.79 -6.30 -1.26 -0.97 118.70 118.20 2i4m s GLU 282 Ca 0.01 1.16 0.06 0.00 -2.50 0.00 0.00 54.97 53.71 2i4m s GLU 282 Cb -0.15 -3.90 -0.08 0.00 0.00 0.00 0.00 34.13 30.00 2i4m s GLU 282 CO -0.09 -1.19 0.21 1.33 0.02 0.00 0.00 175.26 175.54 2i4m n VAL 283 N 6.35 0.00 -3.80 3.70 0.24 -0.71 -4.93 118.33 119.18 2i4m n VAL 283 Ca 0.15 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2i4m n VAL 283 Cb 0.47 0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.10 0.07 -0.30 7.63 0.00 -1.18 -1.51 107.32 109.93 2i4m s GLY 284 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 2i4m s GLY 284 CO 0.26 -0.48 0.76 1.62 0.00 0.00 0.00 173.10 175.27 2i4m s GLN 285 N -3.89 0.48 -0.02 2.90 0.74 -0.47 -1.01 119.66 118.40 2i4m s GLN 285 Ca 0.11 1.19 0.05 0.00 0.05 0.00 0.00 55.36 56.76 2i4m s GLN 285 Cb 0.01 0.71 -0.03 0.00 1.10 0.00 0.00 33.01 34.81 2i4m s GLN 285 CO -0.04 -0.19 -0.17 0.96 -0.55 0.00 0.00 175.29 175.30 2i4m s ILE 286 N 2.76 2.82 -0.24 -2.34 -4.36 0.88 -0.57 121.20 120.15 2i4m s ILE 286 Ca -0.04 -0.93 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 2i4m s ILE 286 Cb -0.10 -2.12 0.12 0.00 1.25 0.00 0.00 42.46 41.61 2i4m s ILE 286 CO -0.18 0.51 0.47 0.12 0.24 0.00 0.00 174.94 176.09 2i4m s PHE 287 N -0.78 -0.98 -0.23 1.37 5.36 -0.39 -0.93 117.98 121.40 2i4m s PHE 287 Ca 0.12 1.51 -0.16 0.00 -0.96 0.00 0.00 56.93 57.45 2i4m s PHE 287 Cb -0.10 0.35 -0.04 0.00 -0.34 0.00 0.00 43.02 42.89 2i4m s PHE 287 CO 0.02 -0.61 0.40 -0.47 -1.46 0.00 0.00 175.22 173.10 2i4m s TYR 288 N 2.67 3.32 -0.12 10.12 5.04 -1.16 -0.34 117.35 136.88 2i4m s TYR 288 Ca 0.03 0.55 0.17 0.00 -2.44 0.00 0.00 57.07 55.38 2i4m s TYR 288 Cb -0.13 -2.56 0.26 0.00 0.35 0.00 0.00 41.96 39.89 2i4m s TYR 288 CO -0.15 -0.11 1.14 1.97 -1.34 0.00 0.00 175.55 177.06 2i4m n PHE 289 N 4.86 0.00 0.00 4.97 1.16 -0.16 -4.91 117.46 123.37 2i4m n PHE 289 Ca -0.08 -0.91 0.00 0.00 -1.87 0.00 0.00 57.45 54.60 2i4m n PHE 289 Cb 0.51 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 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 -1.27 2.45 1.26 4.97 0.00 -0.68 -1.86 105.19 110.04 2i4m n GLY 290 Ca 0.14 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 1.30 -0.25 2.61 -2.24 -1.26 -1.33 114.28 113.11 2i4m n THR 291 Ca 0.00 -0.88 0.06 0.00 -2.27 0.00 0.00 64.05 60.96 2i4m n THR 291 Cb 0.00 0.10 0.19 0.00 -2.10 0.00 0.00 70.33 68.52 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 3.22 0.32 0.13 -0.78 3.64 -1.70 0.37 116.57 121.77 2i4m h LYS 292 Ca 0.00 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 2i4m h LYS 292 Cb 1.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2i4m h LYS 292 CO 0.15 0.21 -1.64 1.88 -2.27 0.00 0.00 179.45 177.78 2i4m h TYR 293 N 0.33 0.49 -0.24 1.91 0.05 -1.81 -3.38 116.97 114.32 2i4m h TYR 293 Ca 0.42 -0.35 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2i4m h TYR 293 Cb 0.71 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 2i4m h TYR 293 CO -0.22 1.64 -0.07 0.66 -1.05 0.00 0.00 178.16 179.12 2i4m h SER 294 N -0.16 0.35 0.01 3.88 4.64 -1.76 -0.84 113.55 119.67 2i4m h SER 294 Ca -0.35 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2i4m h SER 294 Cb 1.88 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2i4m h SER 294 CO 0.07 0.47 -0.01 0.44 -0.87 0.00 0.00 176.83 176.93 2i4m h ASP 295 N 0.36 -0.02 -0.58 4.97 3.32 -1.12 0.38 116.42 123.73 2i4m h ASP 295 Ca 0.07 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.23 2i4m h ASP 295 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2i4m h ASP 295 CO 0.02 -0.01 0.39 0.77 -1.72 0.00 0.00 179.24 178.69 2i4m h SER 296 N -0.01 0.32 0.01 6.45 4.64 -1.71 -2.38 113.55 120.87 2i4m h SER 296 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2i4m h SER 296 Cb 0.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2i4m h SER 296 CO 0.00 0.19 -0.45 0.23 -0.87 0.00 0.00 176.83 175.93 2i4m n MET 297 N -4.46 1.17 -3.56 4.77 2.81 -0.33 -4.82 117.12 112.70 2i4m n MET 297 Ca 0.09 -0.95 -0.22 0.00 -1.81 0.00 0.00 57.70 54.82 2i4m n MET 297 Cb 0.39 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.47 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 -0.09 -3.65 -3.33 0.03 5.02 0.13 -4.95 118.16 111.32 2i4m n LYS 298 Ca 0.10 0.66 -0.46 0.00 -2.02 0.00 0.00 58.31 56.59 2i4m n LYS 298 Cb 0.46 -5.16 -0.06 0.00 -0.02 0.00 0.00 35.03 30.25 2i4m n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i4m s ALA 299 N -3.53 3.63 0.16 7.82 0.00 -0.72 -4.99 121.76 124.13 2i4m s ALA 299 Ca 0.21 -2.46 0.10 0.00 0.00 0.00 0.00 51.96 49.81 2i4m s ALA 299 Cb -0.05 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2i4m s ALA 299 CO 0.80 -1.96 -0.22 -0.80 0.00 0.00 0.00 175.76 173.58 2i4m s ASN 300 N 3.40 3.00 0.15 0.00 0.01 -1.26 -1.84 114.94 118.40 2i4m s ASN 300 Ca 0.03 -0.82 0.06 0.00 -0.71 0.00 0.00 52.86 51.42 2i4m s ASN 300 Cb -0.29 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.13 2i4m s ASN 300 CO 0.04 0.06 -0.12 0.68 -1.51 0.00 0.00 177.10 176.24 2i4m s VAL 301 N -1.66 1.34 -0.23 1.60 -7.23 -0.75 -4.74 120.40 108.73 2i4m s VAL 301 Ca 0.16 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 2i4m s VAL 301 Cb -0.08 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2i4m s VAL 301 CO 0.07 -0.59 1.06 0.42 -0.31 0.00 0.00 175.10 175.76 2i4m s THR 302 N -2.78 4.63 1.10 5.32 -4.23 -0.94 -1.38 115.64 117.36 2i4m s THR 302 Ca 0.15 1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 62.47 2i4m s THR 302 Cb -0.01 -4.29 0.24 0.00 1.34 0.00 0.00 72.50 69.78 2i4m s THR 302 CO 0.03 -0.21 1.07 -0.83 -0.54 0.00 0.00 174.62 174.14 2i4m s GLY 303 N 1.32 1.55 0.00 3.99 0.00 -0.56 -2.00 107.32 111.61 2i4m s GLY 303 Ca 0.45 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.74 2i4m s GLY 303 CO 0.08 0.25 0.71 -1.55 0.00 0.00 0.00 173.10 172.59 2i4m n PRO 304 N -4.55 0.55 -0.02 2.90 -0.04 -1.26 0.11 135.00 132.70 2i4m n PRO 304 Ca 0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2i4m n PRO 304 Cb 0.57 -1.09 0.02 0.00 -0.04 0.00 0.00 33.50 32.96 2i4m n PRO 304 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2i4m n ASP 305 N -0.59 1.71 -1.20 3.54 5.75 -1.26 -5.04 116.55 119.46 2i4m n ASP 305 Ca 0.02 -1.99 -0.10 0.00 -0.01 0.00 0.00 54.79 52.71 2i4m n ASP 305 Cb 0.01 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2i4m n ASP 305 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i4m n GLY 306 N -0.53 -0.03 3.29 6.12 0.00 0.12 -5.06 105.19 109.10 2i4m n GLY 306 Ca 0.02 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 2i4m n GLY 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i4m s THR 307 N -2.54 1.88 -0.01 2.61 -4.23 -1.26 -4.85 115.64 107.24 2i4m s THR 307 Ca 0.02 -1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 2i4m s THR 307 Cb -0.01 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 2i4m s THR 307 CO 0.02 0.34 1.37 -1.81 -0.54 0.00 0.00 174.62 174.00 2i4m s ASP 308 N -1.06 6.88 0.02 3.99 1.11 -1.26 -1.50 116.67 124.85 2i4m s ASP 308 Ca 0.09 2.06 0.04 0.00 0.18 0.00 0.00 52.55 54.92 2i4m s ASP 308 Cb -0.09 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 2i4m s ASP 308 CO 0.01 -0.70 -0.12 0.00 1.18 0.00 0.00 175.17 175.54 2i4m s ALA 309 N 2.40 1.03 0.22 5.23 0.00 -0.48 -4.95 121.76 125.21 2i4m s ALA 309 Ca 0.62 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 2i4m s ALA 309 Cb -0.30 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.52 2i4m s ALA 309 CO 0.26 0.21 1.62 -2.14 0.00 0.00 0.00 175.76 175.71 2i4m s PRO 310 N -0.78 4.16 0.79 0.00 0.02 -1.26 -1.80 135.00 136.13 2i4m s PRO 310 Ca 0.02 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.42 2i4m s PRO 310 Cb -0.06 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.44 2i4m s PRO 310 CO 0.00 -0.65 1.16 0.96 -0.33 0.00 0.00 177.00 178.14 2i4m s ILE 311 N 0.77 2.50 -0.21 2.83 -5.25 -0.76 -4.91 121.20 116.16 2i4m s ILE 311 Ca 0.69 0.20 -0.07 0.00 -0.99 0.00 0.00 60.65 60.48 2i4m s ILE 311 Cb -0.47 -2.58 -0.04 0.00 2.95 0.00 0.00 42.46 42.33 2i4m s ILE 311 CO 0.37 -0.17 0.07 -1.00 -1.79 0.00 0.00 174.94 172.41 2i4m s HIS 312 N -2.39 3.19 0.21 1.37 3.76 0.11 -4.07 115.29 117.48 2i4m s HIS 312 Ca 0.69 -0.06 0.09 0.00 -0.15 0.00 0.00 55.06 55.63 2i4m s HIS 312 Cb -0.24 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 2i4m s HIS 312 CO 0.51 -0.01 -0.17 0.20 -0.85 0.00 0.00 174.74 174.42 2i4m s GLY 313 N 0.80 1.54 0.18 -2.22 0.00 -0.44 0.13 107.32 107.31 2i4m s GLY 313 Ca 0.04 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 43.11 2i4m s GLY 313 CO 0.02 -1.75 -0.02 -0.32 0.00 0.00 0.00 173.10 171.03 2i4m s GLY 314 N -3.17 1.27 0.02 0.20 0.00 -1.15 -0.99 107.32 103.50 2i4m s GLY 314 Ca 0.23 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.34 2i4m s GLY 314 CO 0.09 -1.58 -0.04 -1.35 0.00 0.00 0.00 173.10 170.22 2i4m s SER 315 N -3.20 0.45 -0.12 1.64 1.04 0.53 -1.33 113.70 112.71 2i4m s SER 315 Ca 0.23 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 2i4m s SER 315 Cb 0.05 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.26 2i4m s SER 315 CO 0.04 -0.16 0.10 -0.31 0.98 0.00 0.00 173.24 173.89 2i4m s TYR 316 N -0.98 0.07 -0.08 5.02 2.02 -0.33 -1.26 117.35 121.81 2i4m s TYR 316 Ca -0.09 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 2i4m s TYR 316 Cb -0.07 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 2i4m s TYR 316 CO -0.00 -0.39 -0.22 0.20 -1.57 0.00 0.00 175.55 173.57 2i4m s GLY 317 N 2.18 1.37 -0.19 0.71 0.00 0.26 -0.38 107.32 111.26 2i4m s GLY 317 Ca 0.04 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 2i4m s GLY 317 CO -0.07 -0.52 -0.03 0.14 0.00 0.00 0.00 173.10 172.62 2i4m s VAL 318 N -0.04 3.68 -1.17 1.40 1.01 -0.11 -1.36 120.40 123.81 2i4m s VAL 318 Ca -0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2i4m s VAL 318 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2i4m s VAL 318 CO 0.05 0.45 1.92 0.61 0.00 0.00 0.00 175.10 178.12 2i4m n GLY 319 N 4.18 2.24 0.45 4.51 0.00 -0.57 -1.91 105.19 114.10 2i4m n GLY 319 Ca -0.18 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 2i4m n GLY 319 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2i4m h VAL 320 N 5.35 0.09 -0.78 1.61 2.07 -1.60 0.31 116.25 123.30 2i4m h VAL 320 Ca 0.37 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.88 2i4m h VAL 320 Cb 0.82 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2i4m h VAL 320 CO 1.53 0.00 0.44 0.77 0.02 0.00 0.00 177.57 180.33 2i4m h SER 321 N -0.78 0.96 0.58 0.57 4.64 -1.75 -2.35 113.55 115.42 2i4m h SER 321 Ca -0.01 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 2i4m h SER 321 Cb 0.75 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2i4m h SER 321 CO -0.20 0.76 -0.31 -0.09 -0.87 0.00 0.00 176.83 176.12 2i4m h ARG 322 N 1.09 0.00 -0.59 4.77 2.43 -1.51 -2.62 114.38 117.95 2i4m h ARG 322 Ca 0.28 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 2i4m h ARG 322 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2i4m h ARG 322 CO -0.05 0.31 0.42 -0.07 -1.51 0.00 0.00 179.97 179.07 2i4m h LEU 323 N 0.00 0.10 -0.95 3.80 3.38 0.16 0.46 115.31 122.26 2i4m h LEU 323 Ca -0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2i4m h LEU 323 Cb 0.69 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2i4m h LEU 323 CO 0.04 0.05 0.63 -0.07 0.09 0.00 0.00 178.44 179.18 2i4m h LEU 324 N 0.11 1.07 -0.55 1.67 4.07 -1.57 0.38 115.31 120.50 2i4m h LEU 324 Ca 0.28 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 58.06 2i4m h LEU 324 Cb 0.98 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2i4m h LEU 324 CO -0.03 0.76 -0.62 1.23 -1.08 0.00 0.00 178.44 178.70 2i4m h GLY 325 N 1.26 0.42 0.43 0.83 0.00 -1.07 -2.90 103.07 102.04 2i4m h GLY 325 Ca 0.36 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2i4m h GLY 325 CO -0.09 0.47 -0.13 0.00 0.00 0.00 0.00 176.54 176.79 2i4m h ALA 326 N 1.06 -0.36 -0.74 3.60 0.00 -0.86 -2.41 119.26 119.54 2i4m h ALA 326 Ca -0.01 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2i4m h ALA 326 Cb 1.15 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 2i4m h ALA 326 CO 0.10 -0.41 -0.20 0.82 0.00 0.00 0.00 179.25 179.56 2i4m h ILE 327 N -0.93 0.24 -0.45 0.00 2.04 -0.34 -0.11 117.51 117.96 2i4m h ILE 327 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2i4m h ILE 327 Cb 0.50 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2i4m h ILE 327 CO 0.06 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.74 2i4m h ILE 328 N -0.01 1.23 -0.57 -0.67 2.04 -1.56 0.26 117.51 118.24 2i4m h ILE 328 Ca 0.35 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.56 2i4m h ILE 328 Cb 0.55 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 2i4m h ILE 328 CO -0.77 0.27 0.07 -0.33 0.00 0.00 0.00 178.15 177.39 2i4m h GLU 329 N 0.59 0.19 0.00 2.37 4.39 -0.62 -0.56 114.58 120.94 2i4m h GLU 329 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2i4m h GLU 329 Cb 0.28 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2i4m h GLU 329 CO -0.00 0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.97 2i4m n ALA 330 N -2.64 2.11 -3.26 3.43 0.00 -0.20 -4.49 120.51 115.45 2i4m n ALA 330 Ca 0.08 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 2i4m n ALA 330 Cb 0.31 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 2i4m n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i4m s HIS 332 N 0.06 0.40 0.00 0.00 -0.00 -1.21 -0.66 115.29 113.88 2i4m s HIS 332 Ca 0.33 -0.78 0.00 0.00 -0.00 0.00 0.00 55.06 54.60 2i4m s HIS 332 Cb 0.05 0.28 0.00 0.00 -0.00 0.00 0.00 32.58 32.91 2i4m s HIS 332 CO -0.17 -1.12 0.00 -0.40 -0.00 0.00 0.00 174.74 173.06 2i4m n ASP 333 N -0.69 0.00 0.19 7.38 5.68 -0.34 -4.88 116.55 123.89 2i4m n ASP 333 Ca -0.02 -0.07 0.14 0.00 -0.50 0.00 0.00 54.79 54.34 2i4m n ASP 333 Cb 0.61 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.12 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 0.35 -1.12 3.32 -2.02 -1.96 116.42 114.99 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 -0.68 0.59 -1.72 0.00 0.00 179.24 177.43 2i4m n ASN 335 N -2.64 0.65 0.00 6.45 5.03 -1.26 -5.07 115.26 118.42 2i4m n ASN 335 Ca 0.02 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.01 2i4m n ASN 335 Cb 0.31 0.50 0.00 0.00 -1.02 0.00 0.00 39.78 39.56 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 1.49 0.24 3.78 7.41 0.00 -0.74 -3.43 105.19 113.95 2i4m n GLY 336 Ca 0.05 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.22 4.27 -0.51 -0.61 1.01 -0.88 -1.19 121.20 122.07 2i4m s ILE 337 Ca 0.00 1.75 0.03 0.00 0.00 0.00 0.00 60.65 62.44 2i4m s ILE 337 Cb 0.00 -4.05 0.14 0.00 0.01 0.00 0.00 42.46 38.56 2i4m s ILE 337 CO 0.00 0.25 0.27 -0.63 0.00 0.00 0.00 174.94 174.84 2i4m s ILE 338 N -1.48 2.19 0.11 2.92 1.01 0.17 -3.78 121.20 122.34 2i4m s ILE 338 Ca 0.46 -3.15 -0.31 0.00 0.00 0.00 0.00 60.65 57.65 2i4m s ILE 338 Cb -0.20 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 2i4m s ILE 338 CO 0.25 -0.85 1.44 0.26 0.00 0.00 0.00 174.94 176.04 2i4m s TRP 339 N -0.18 3.11 0.45 3.97 0.52 -0.69 -4.73 118.94 121.39 2i4m s TRP 339 Ca 0.18 0.83 -0.24 0.00 0.02 0.00 0.00 56.10 56.89 2i4m s TRP 339 Cb -0.23 -3.75 -0.09 0.00 -1.15 0.00 0.00 33.47 28.25 2i4m s TRP 339 CO -0.02 -2.69 1.11 -2.30 0.02 0.00 0.00 176.95 173.08 2i4m n PRO 340 N 4.23 1.52 -0.28 4.98 -0.02 -1.26 -4.50 135.00 139.66 2i4m n PRO 340 Ca 0.12 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.20 2i4m n PRO 340 Cb 0.42 -2.20 0.19 0.00 -0.02 0.00 0.00 33.50 31.89 2i4m n PRO 340 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i4m h GLU 341 N 1.61 0.63 0.00 -0.52 5.08 -1.94 -2.20 114.58 117.24 2i4m h GLU 341 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2i4m h GLU 341 Cb 1.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2i4m h GLU 341 CO 0.57 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 179.00 2i4m h ALA 342 N 1.51 1.00 0.00 3.43 0.00 -1.90 -2.79 119.26 120.51 2i4m h ALA 342 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2i4m h ALA 342 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2i4m h ALA 342 CO -0.32 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.26 2i4m n VAL 343 N -2.53 0.39 -2.39 0.00 0.24 -0.88 -4.82 118.33 108.34 2i4m n VAL 343 Ca 0.01 -0.59 -0.37 0.00 -2.04 0.00 0.00 64.34 61.35 2i4m n VAL 343 Cb 0.20 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 2i4m n VAL 343 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i4m s ALA 344 N -0.39 3.01 0.24 2.33 0.00 -0.89 -4.59 121.76 121.48 2i4m s ALA 344 Ca 0.00 0.82 0.35 0.00 0.00 0.00 0.00 51.96 53.13 2i4m s ALA 344 Cb 0.00 -3.33 1.57 0.00 0.00 0.00 0.00 23.12 21.36 2i4m s ALA 344 CO 0.00 -0.46 2.06 -1.00 0.00 0.00 0.00 175.76 176.37 2i4m h PRO 345 N 2.21 0.00 -2.54 0.00 0.13 -1.88 -3.43 132.00 126.48 2i4m h PRO 345 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2i4m h PRO 345 Cb 1.23 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 2i4m h PRO 345 CO 0.61 0.02 -0.09 -0.06 -0.23 0.00 0.00 178.00 178.25 2i4m s PHE 346 N -3.79 -0.46 0.01 1.56 0.08 -1.26 -4.90 117.98 109.21 2i4m s PHE 346 Ca -0.00 0.95 -0.18 0.00 0.12 0.00 0.00 56.93 57.82 2i4m s PHE 346 Cb 0.10 0.22 -0.34 0.00 -0.57 0.00 0.00 43.02 42.43 2i4m s PHE 346 CO 0.52 -0.40 0.97 -0.09 -0.10 0.00 0.00 175.22 176.13 2i4m h ARG 347 N 4.25 0.48 -4.33 0.44 2.43 -0.16 -3.39 114.38 114.10 2i4m h ARG 347 Ca -0.28 -0.81 -0.27 0.00 -0.81 0.00 0.00 59.98 57.81 2i4m h ARG 347 Cb 1.17 0.30 -0.24 0.00 -0.42 0.00 0.00 29.97 30.77 2i4m h ARG 347 CO 0.31 1.38 -0.74 0.54 -1.51 0.00 0.00 179.97 179.96 2i4m s VAL 348 N -2.57 0.39 -0.03 0.20 0.11 -0.47 -2.15 120.40 115.88 2i4m s VAL 348 Ca -0.10 -0.67 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2i4m s VAL 348 Cb 0.03 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2i4m s VAL 348 CO 0.91 -0.19 -0.17 0.28 -3.33 0.00 0.00 175.10 172.60 2i4m s THR 349 N -0.84 2.81 -0.18 5.04 -1.32 -0.65 -1.02 115.64 119.49 2i4m s THR 349 Ca -0.06 -0.88 -0.07 0.00 -1.21 0.00 0.00 61.69 59.48 2i4m s THR 349 Cb -0.06 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 2i4m s THR 349 CO -0.00 0.55 0.04 -0.63 -2.21 0.00 0.00 174.62 172.37 2i4m s ILE 350 N -0.74 4.58 -0.19 5.08 1.01 0.10 -1.54 121.20 129.50 2i4m s ILE 350 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2i4m s ILE 350 Cb -0.10 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2i4m s ILE 350 CO 0.01 0.47 -0.12 -0.76 0.00 0.00 0.00 174.94 174.53 2i4m s LEU 351 N 0.39 2.54 -0.42 2.97 1.43 0.61 -0.72 118.68 125.48 2i4m s LEU 351 Ca 0.01 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 2i4m s LEU 351 Cb -0.13 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2i4m s LEU 351 CO 0.01 0.01 0.60 0.21 0.23 0.00 0.00 176.35 177.41 2i4m s ASN 352 N 1.26 6.31 0.00 2.29 3.84 -1.21 -1.92 114.94 125.50 2i4m s ASN 352 Ca 0.03 -0.31 0.27 0.00 0.21 0.00 0.00 52.86 53.06 2i4m s ASN 352 Cb -0.14 -2.30 0.87 0.00 -0.55 0.00 0.00 41.25 39.13 2i4m s ASN 352 CO -0.06 -0.70 1.64 0.18 -2.79 0.00 0.00 177.10 175.37 2i4m n LEU 353 N 6.08 1.80 -2.96 3.21 4.77 0.60 -3.79 117.00 126.71 2i4m n LEU 353 Ca -0.03 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.20 2i4m n LEU 353 Cb 0.48 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2i4m n LEU 353 CO 0.51 0.31 0.02 1.17 -1.33 0.00 0.00 177.39 178.07 2i4m n LYS 354 N 0.41 0.91 -1.70 3.23 4.81 -1.26 -4.49 118.16 120.07 2i4m n LYS 354 Ca 0.18 -2.59 -0.43 0.00 -0.87 0.00 0.00 58.31 54.60 2i4m n LYS 354 Cb 0.40 -1.36 -0.03 0.00 0.02 0.00 0.00 35.03 34.06 2i4m n LYS 354 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2i4m n GLN 355 N 0.74 2.60 0.00 1.64 -0.06 -1.25 -2.00 117.38 119.04 2i4m n GLN 355 Ca 0.15 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.09 2i4m n GLN 355 Cb 0.65 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.06 2i4m n GLN 355 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2i4m n GLY 356 N 3.87 1.82 3.72 1.69 0.00 -1.26 -4.93 105.19 110.10 2i4m n GLY 356 Ca 0.17 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.15 6.76 0.13 1.61 2.15 -0.85 -4.95 116.67 121.38 2i4m s ASP 357 Ca 0.00 2.44 -0.27 0.00 0.43 0.00 0.00 52.55 55.16 2i4m s ASP 357 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 2i4m s ASP 357 CO 0.00 -0.68 1.61 0.00 -0.17 0.00 0.00 175.17 175.93 2i4m h ALA 358 N 6.39 -0.42 -0.32 3.66 0.00 -1.98 -2.55 119.26 124.04 2i4m h ALA 358 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2i4m h ALA 358 Cb 1.21 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2i4m h ALA 358 CO 0.85 -0.81 0.12 0.00 0.00 0.00 0.00 179.25 179.41 2i4m h ALA 359 N 0.34 0.42 -0.26 0.00 0.00 -1.97 -2.71 119.26 115.08 2i4m h ALA 359 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2i4m h ALA 359 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2i4m h ALA 359 CO -0.31 0.03 -0.55 1.79 0.00 0.00 0.00 179.25 180.22 2i4m h THR 360 N 0.37 1.29 -0.89 0.00 1.35 -1.89 -2.74 112.91 110.39 2i4m h THR 360 Ca 0.11 -1.75 0.19 0.00 -0.55 0.00 0.00 66.41 64.41 2i4m h THR 360 Cb 0.21 1.66 -0.07 0.00 -1.73 0.00 0.00 68.15 68.22 2i4m h THR 360 CO -0.01 0.56 0.59 0.44 -0.25 0.00 0.00 175.52 176.85 2i4m h ASP 361 N 0.61 0.44 0.63 5.36 5.19 -1.36 -1.10 116.42 126.20 2i4m h ASP 361 Ca 0.01 0.04 -0.28 0.00 -0.62 0.00 0.00 57.03 56.19 2i4m h ASP 361 Cb 1.14 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2i4m h ASP 361 CO 0.12 0.19 -1.27 0.00 -3.12 0.00 0.00 179.24 175.16 2i4m h ALA 362 N 1.61 0.12 -0.35 3.45 0.00 -1.19 -2.66 119.26 120.25 2i4m h ALA 362 Ca 0.46 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2i4m h ALA 362 Cb 1.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2i4m h ALA 362 CO -0.18 1.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.89 2i4m h ALA 363 N 0.59 0.49 0.30 0.00 0.00 -1.16 -0.79 119.26 118.69 2i4m h ALA 363 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2i4m h ALA 363 Cb 1.97 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2i4m h ALA 363 CO 0.20 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.51 2i4m h ASP 365 N -0.71 -0.57 -0.60 0.00 5.19 -1.33 0.52 116.42 118.91 2i4m h ASP 365 Ca -0.01 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 2i4m h ASP 365 Cb 0.66 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 2i4m h ASP 365 CO -0.10 -0.20 0.36 -0.61 -3.12 0.00 0.00 179.24 175.56 2i4m h GLN 366 N 0.00 0.68 -0.26 3.56 4.15 -0.82 0.10 115.11 122.53 2i4m h GLN 366 Ca 0.30 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.49 2i4m h GLN 366 Cb 0.45 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2i4m h GLN 366 CO -0.64 0.45 -0.57 -0.07 -1.93 0.00 0.00 178.83 176.07 2i4m h LEU 367 N 0.70 0.92 -0.37 -2.39 3.38 0.49 -0.93 115.31 117.11 2i4m h LEU 367 Ca 0.24 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2i4m h LEU 367 Cb 0.04 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2i4m h LEU 367 CO -0.11 1.29 -0.12 0.22 0.09 0.00 0.00 178.44 179.81 2i4m h TYR 368 N 0.62 -0.27 0.02 1.13 3.20 0.56 -0.30 116.97 121.93 2i4m h TYR 368 Ca 0.01 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.70 2i4m h TYR 368 Cb 1.17 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 2i4m h TYR 368 CO 0.07 -0.19 -0.94 0.00 -1.64 0.00 0.00 178.16 175.46 2i4m h ARG 369 N -0.04 0.23 -0.24 1.82 3.08 -0.65 -2.27 114.38 116.32 2i4m h ARG 369 Ca 0.18 -0.27 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 2i4m h ARG 369 Cb 0.32 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2i4m h ARG 369 CO -0.40 1.01 -0.56 0.93 -1.07 0.00 0.00 179.97 179.88 2i4m h GLU 370 N 0.12 0.80 -0.38 0.04 5.08 -0.92 -2.20 114.58 117.12 2i4m h GLU 370 Ca -0.06 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.64 2i4m h GLU 370 Cb 1.59 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 2i4m h GLU 370 CO 0.15 1.17 -0.25 -0.07 -1.00 0.00 0.00 179.01 179.01 2i4m h LEU 371 N 0.56 0.78 -0.20 1.33 3.38 -1.10 -2.87 115.31 117.19 2i4m h LEU 371 Ca -0.00 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2i4m h LEU 371 Cb 1.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2i4m h LEU 371 CO 0.12 1.00 -0.05 -1.28 0.09 0.00 0.00 178.44 178.32 2i4m h SER 372 N 0.66 -0.19 0.19 -0.43 0.87 -1.38 -2.24 113.55 111.03 2i4m h SER 372 Ca 0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2i4m h SER 372 Cb 0.76 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2i4m h SER 372 CO 0.06 -0.07 -0.09 0.00 -0.53 0.00 0.00 176.83 176.20 2i4m h ALA 373 N 1.19 1.49 -0.88 6.23 0.00 -1.18 -2.75 119.26 123.36 2i4m h ALA 373 Ca 0.10 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.39 2i4m h ALA 373 Cb 0.15 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.64 2i4m h ALA 373 CO -0.21 0.11 0.49 1.63 0.00 0.00 0.00 179.25 181.28 2i4m n LYS 374 N -3.91 2.49 -3.57 0.00 5.02 -1.10 -4.85 118.16 112.25 2i4m n LYS 374 Ca -0.02 -3.26 -0.26 0.00 -2.02 0.00 0.00 58.31 52.74 2i4m n LYS 374 Cb 0.18 -2.18 0.04 0.00 -0.02 0.00 0.00 35.03 33.05 2i4m n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i4m n GLY 375 N -1.01 -0.52 3.61 0.72 0.00 -1.04 -4.98 105.19 101.98 2i4m n GLY 375 Ca 0.56 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.23 4.37 -0.36 1.61 1.01 -0.86 -4.72 120.40 118.22 2i4m s VAL 376 Ca 0.54 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2i4m s VAL 376 Cb -0.26 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2i4m s VAL 376 CO 0.66 0.52 1.34 -1.81 0.00 0.00 0.00 175.10 175.81 2i4m s ASP 377 N -0.06 6.53 -0.19 3.32 1.01 -1.26 -4.34 116.67 121.68 2i4m s ASP 377 Ca 0.04 1.00 -0.02 0.00 0.71 0.00 0.00 52.55 54.28 2i4m s ASP 377 Cb -0.13 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.32 2i4m s ASP 377 CO 0.02 -1.24 0.01 0.54 0.21 0.00 0.00 175.17 174.71 2i4m s VAL 378 N 4.82 0.71 -0.02 -1.27 0.11 -1.12 0.56 120.40 124.18 2i4m s VAL 378 Ca 0.58 -0.61 -0.17 0.00 -2.93 0.00 0.00 61.98 58.84 2i4m s VAL 378 Cb -0.15 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 2i4m s VAL 378 CO 0.28 -0.13 0.47 -0.22 -3.33 0.00 0.00 175.10 172.17 2i4m s LEU 379 N 1.78 4.42 -0.33 2.54 2.96 -0.19 -1.66 118.68 128.20 2i4m s LEU 379 Ca -0.01 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2i4m s LEU 379 Cb -0.17 -2.70 0.09 0.00 0.50 0.00 0.00 46.19 43.91 2i4m s LEU 379 CO -0.07 0.20 0.04 -0.47 -1.32 0.00 0.00 176.35 174.72 2i4m s TYR 380 N -0.48 3.56 -0.46 5.38 5.04 -0.33 0.02 117.35 130.08 2i4m s TYR 380 Ca 0.26 -2.59 -0.27 0.00 -2.44 0.00 0.00 57.07 52.03 2i4m s TYR 380 Cb -0.17 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.44 2i4m s TYR 380 CO 0.14 -0.92 2.03 0.34 -1.34 0.00 0.00 175.55 175.80 2i4m s ASP 381 N 1.17 5.23 -0.17 4.32 -1.08 0.11 -2.64 116.67 123.61 2i4m s ASP 381 Ca 0.04 0.96 0.16 0.00 -0.52 0.00 0.00 52.55 53.18 2i4m s ASP 381 Cb -0.20 -2.52 0.38 0.00 -1.46 0.00 0.00 42.92 39.12 2i4m s ASP 381 CO -0.06 -2.29 1.23 -0.90 0.52 0.00 0.00 175.17 173.67 2i4m n ASP 382 N 12.84 2.38 -4.81 -0.34 5.75 -1.26 -3.33 116.55 127.77 2i4m n ASP 382 Ca 0.26 -3.37 -0.32 0.00 -0.01 0.00 0.00 54.79 51.35 2i4m n ASP 382 Cb 0.51 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 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 -3.01 3.96 -1.18 2.12 -4.23 -1.26 -4.84 115.64 107.20 2i4m s THR 383 Ca 0.36 0.88 -0.20 0.00 -1.18 0.00 0.00 61.69 61.55 2i4m s THR 383 Cb 0.32 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.79 2i4m s THR 383 CO 0.01 -0.60 1.60 -0.62 -0.54 0.00 0.00 174.62 174.47 2i4m s ASP 384 N -3.01 6.72 -0.17 3.99 -1.08 -1.26 -4.80 116.67 117.06 2i4m s ASP 384 Ca 0.62 -2.09 -0.22 0.00 -0.52 0.00 0.00 52.55 50.34 2i4m s ASP 384 Cb -0.15 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.81 2i4m s ASP 384 CO 0.39 -1.27 0.57 -1.10 0.52 0.00 0.00 175.17 174.28 2i4m s GLN 385 N 4.34 0.75 0.61 4.34 -0.21 -1.26 -5.14 119.66 123.08 2i4m s GLN 385 Ca 0.50 0.61 -0.19 0.00 0.02 0.00 0.00 55.36 56.30 2i4m s GLN 385 Cb 0.02 0.36 -0.03 0.00 1.00 0.00 0.00 33.01 34.36 2i4m s GLN 385 CO 0.00 -0.14 1.31 1.03 -2.12 0.00 0.00 175.29 175.38 2i4m s ARG 386 N -0.12 2.80 0.28 2.91 1.81 -1.26 -4.76 118.95 120.60 2i4m s ARG 386 Ca -0.03 2.10 -0.07 0.00 -1.72 0.00 0.00 55.73 56.01 2i4m s ARG 386 Cb -0.03 -2.00 0.49 0.00 -0.45 0.00 0.00 34.95 32.96 2i4m s ARG 386 CO 0.03 -1.42 1.56 0.00 -0.68 0.00 0.00 175.30 174.79 2i4m h ALA 387 N 0.90 0.72 -0.19 2.13 0.00 -1.86 -1.58 119.26 119.38 2i4m h ALA 387 Ca -0.51 0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2i4m h ALA 387 Cb 1.32 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 2i4m h ALA 387 CO 0.55 -0.41 -0.21 0.78 0.00 0.00 0.00 179.25 179.96 2i4m h GLY 388 N 0.00 -0.14 0.28 0.00 0.00 -1.97 0.97 103.07 102.21 2i4m h GLY 388 Ca 0.49 0.26 0.08 0.00 0.00 0.00 0.00 47.33 48.16 2i4m h GLY 388 CO -1.00 -0.19 -0.02 0.00 0.00 0.00 0.00 176.54 175.34 2i4m h ALA 389 N 0.81 0.38 -0.64 3.60 0.00 -1.66 -1.68 119.26 120.06 2i4m h ALA 389 Ca 0.12 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2i4m h ALA 389 Cb 0.42 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2i4m h ALA 389 CO -0.33 -0.40 0.39 0.87 0.00 0.00 0.00 179.25 179.79 2i4m h LYS 390 N 0.09 0.86 -0.09 0.00 1.57 -0.66 -2.55 116.57 115.79 2i4m h LYS 390 Ca 0.21 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2i4m h LYS 390 Cb 0.31 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2i4m h LYS 390 CO -0.37 0.60 -0.04 0.74 -0.57 0.00 0.00 179.45 179.82 2i4m h PHE 391 N 0.88 0.21 -0.75 -1.35 0.04 -0.27 -1.70 116.94 114.00 2i4m h PHE 391 Ca 0.23 -0.05 0.09 0.00 2.80 0.00 0.00 57.97 61.04 2i4m h PHE 391 Cb -0.05 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 2i4m h PHE 391 CO 0.00 0.53 0.49 0.00 -0.60 0.00 0.00 178.31 178.73 2i4m h ALA 392 N 0.65 1.79 0.01 2.45 0.00 -1.04 0.15 119.26 123.27 2i4m h ALA 392 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i4m h ALA 392 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2i4m h ALA 392 CO 0.01 0.06 -0.01 1.15 0.00 0.00 0.00 179.25 180.47 2i4m h THR 393 N 0.68 1.44 -0.95 0.00 2.02 -1.46 -0.20 112.91 114.45 2i4m h THR 393 Ca 0.34 -1.98 0.17 0.00 0.77 0.00 0.00 66.41 65.71 2i4m h THR 393 Cb 0.42 2.67 -0.10 0.00 -1.74 0.00 0.00 68.15 69.41 2i4m h THR 393 CO -0.12 0.47 0.55 0.00 0.37 0.00 0.00 175.52 176.79 2i4m h ALA 394 N -0.13 1.51 -0.18 6.16 0.00 -0.94 0.44 119.26 126.11 2i4m h ALA 394 Ca -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2i4m h ALA 394 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2i4m h ALA 394 CO 0.00 -0.03 -0.24 -0.44 0.00 0.00 0.00 179.25 178.54 2i4m h ASP 395 N 0.74 0.51 0.57 0.00 3.32 -0.77 -3.09 116.42 117.70 2i4m h ASP 395 Ca 0.53 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2i4m h ASP 395 Cb 0.76 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2i4m h ASP 395 CO -0.36 0.92 -0.40 0.25 -1.72 0.00 0.00 179.24 177.93 2i4m h LEU 396 N 0.12 -1.03 -0.36 1.55 5.85 0.90 -3.03 115.31 119.32 2i4m h LEU 396 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2i4m h LEU 396 Cb 0.80 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2i4m h LEU 396 CO 0.06 -0.58 0.00 2.30 -0.34 0.00 0.00 178.44 179.87 2i4m n ILE 397 N -4.87 1.41 -0.56 4.05 -5.35 0.13 -2.07 119.36 112.10 2i4m n ILE 397 Ca -0.11 0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 2i4m n ILE 397 Cb 0.39 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.92 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 -0.88 0.73 3.64 3.28 0.00 -1.14 -4.86 105.19 105.96 2i4m n GLY 398 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.48 0.09 -0.14 -0.61 2.08 -1.25 -1.71 119.36 115.34 2i4m n ILE 399 Ca 0.00 -0.02 0.16 0.00 0.56 0.00 0.00 62.75 63.45 2i4m n ILE 399 Cb 0.00 -1.31 0.53 0.00 -0.75 0.00 0.00 39.64 38.11 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 5.34 0.36 -4.17 0.38 0.11 -1.75 -3.42 132.00 128.85 2i4m h PRO 400 Ca -0.46 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.29 2i4m h PRO 400 Cb 1.28 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 32.01 2i4m h PRO 400 CO 0.84 0.24 -0.76 -1.58 -0.21 0.00 0.00 178.00 176.53 2i4m s TRP 401 N -5.36 0.49 0.17 0.65 0.52 -0.91 -1.17 118.94 113.32 2i4m s TRP 401 Ca -0.08 -0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.02 2i4m s TRP 401 Cb 0.21 -0.38 -0.04 0.00 -1.15 0.00 0.00 33.47 32.11 2i4m s TRP 401 CO 0.76 -0.06 0.00 -0.65 0.02 0.00 0.00 176.95 177.03 2i4m s GLN 402 N 0.23 2.43 -0.17 4.98 -0.21 -0.04 -1.64 119.66 125.25 2i4m s GLN 402 Ca -0.02 -1.09 -0.00 0.00 0.02 0.00 0.00 55.36 54.26 2i4m s GLN 402 Cb -0.06 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.62 2i4m s GLN 402 CO -0.00 0.46 -0.06 0.42 -2.12 0.00 0.00 175.29 173.99 2i4m s ILE 403 N -1.72 1.13 -0.08 1.08 1.01 -0.59 -1.56 121.20 120.47 2i4m s ILE 403 Ca 0.28 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2i4m s ILE 403 Cb -0.09 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 2i4m s ILE 403 CO 0.19 0.14 0.46 -1.00 0.00 0.00 0.00 174.94 174.73 2i4m s HIS 404 N 1.62 3.58 -0.06 3.97 3.76 0.28 -0.28 115.29 128.17 2i4m s HIS 404 Ca 0.01 0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 55.83 2i4m s HIS 404 Cb -0.15 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.09 2i4m s HIS 404 CO -0.08 0.31 0.06 0.08 -0.85 0.00 0.00 174.74 174.27 2i4m s VAL 405 N 0.09 -0.09 0.30 -0.90 1.01 -0.81 -1.19 120.40 118.81 2i4m s VAL 405 Ca 0.25 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2i4m s VAL 405 Cb -0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2i4m s VAL 405 CO 0.11 0.13 0.39 -0.83 0.00 0.00 0.00 175.10 174.91 2i4m s GLY 406 N 2.16 1.38 0.36 4.51 0.00 -1.26 -0.29 107.32 114.17 2i4m s GLY 406 Ca 0.05 -1.48 0.08 0.00 0.00 0.00 0.00 44.72 43.36 2i4m s GLY 406 CO -0.04 -1.04 1.87 -2.55 0.00 0.00 0.00 173.10 171.34 2i4m h PRO 407 N 2.23 0.29 0.00 2.90 0.11 -1.94 -2.89 132.00 132.70 2i4m h PRO 407 Ca -0.29 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2i4m h PRO 407 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2i4m h PRO 407 CO 0.40 0.45 0.00 0.54 -0.21 0.00 0.00 178.00 179.19 2i4m n ARG 408 N -4.23 0.00 0.21 1.05 1.74 -1.26 -1.51 116.66 112.66 2i4m n ARG 408 Ca -0.00 0.68 0.06 0.00 -0.77 0.00 0.00 57.85 57.81 2i4m n ARG 408 Cb 0.30 -1.28 0.47 0.00 -1.02 0.00 0.00 32.46 30.93 2i4m n ARG 408 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2i4m h GLY 409 N 0.00 0.00 2.00 -0.13 0.00 -1.77 -2.47 103.07 100.70 2i4m h GLY 409 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2i4m h GLY 409 CO 0.00 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 174.37 2i4m h LEU 410 N 0.00 0.00 -0.05 3.11 5.85 -1.37 0.70 115.31 123.55 2i4m h LEU 410 Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2i4m h LEU 410 Cb 0.53 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2i4m h LEU 410 CO 0.04 0.17 -0.48 0.00 -0.34 0.00 0.00 178.44 177.82 2i4m h ALA 411 N 1.83 -0.79 -0.38 1.25 0.00 -0.77 -0.71 119.26 119.70 2i4m h ALA 411 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2i4m h ALA 411 Cb 0.68 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2i4m h ALA 411 CO 0.02 -1.03 0.07 -0.85 0.00 0.00 0.00 179.25 177.46 2i4m n GLU 412 N -5.45 2.98 -3.06 0.00 0.28 -1.08 -4.89 120.64 109.41 2i4m n GLU 412 Ca -0.06 -1.80 -0.13 0.00 -0.16 0.00 0.00 57.16 55.01 2i4m n GLU 412 Cb 0.38 -1.90 0.07 0.00 1.43 0.00 0.00 31.44 31.42 2i4m n GLU 412 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2i4m n GLY 413 N 0.22 -0.40 3.05 -1.84 0.00 -0.27 -4.99 105.19 100.96 2i4m n GLY 413 Ca 0.19 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.74 0.44 0.07 1.61 1.02 0.24 -2.37 119.74 116.01 2i4m s LYS 414 Ca 0.13 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.59 2i4m s LYS 414 Cb -0.02 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 2i4m s LYS 414 CO 0.59 -0.09 -0.20 0.14 -0.92 0.00 0.00 175.35 174.87 2i4m s VAL 415 N -1.79 1.59 -0.14 3.17 -7.23 0.21 -2.89 120.40 113.31 2i4m s VAL 415 Ca -0.12 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 2i4m s VAL 415 Cb -0.07 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2i4m s VAL 415 CO -0.01 0.05 0.50 -0.70 -0.31 0.00 0.00 175.10 174.62 2i4m s GLU 416 N -1.51 4.30 -0.18 4.82 2.12 -0.33 -0.37 118.70 127.54 2i4m s GLU 416 Ca 0.06 0.45 -0.06 0.00 0.36 0.00 0.00 54.97 55.78 2i4m s GLU 416 Cb -0.09 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2i4m s GLU 416 CO 0.03 0.06 0.02 -1.17 -0.54 0.00 0.00 175.26 173.65 2i4m s LEU 417 N 0.95 3.49 -0.04 2.70 2.96 -0.98 0.10 118.68 127.85 2i4m s LEU 417 Ca 0.26 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2i4m s LEU 417 Cb -0.15 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2i4m s LEU 417 CO 0.10 0.14 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.27 2i4m s LYS 418 N 0.57 2.31 -0.33 1.98 2.20 -0.60 -1.92 119.74 123.95 2i4m s LYS 418 Ca 0.00 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.61 2i4m s LYS 418 Cb -0.14 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 2i4m s LYS 418 CO 0.02 0.43 0.23 0.50 -0.36 0.00 0.00 175.35 176.17 2i4m s ARG 419 N -0.31 3.53 0.40 4.03 3.52 0.07 -0.86 118.95 129.33 2i4m s ARG 419 Ca 0.01 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2i4m s ARG 419 Cb -0.12 -3.77 0.81 0.00 -1.56 0.00 0.00 34.95 30.32 2i4m s ARG 419 CO 0.02 -0.41 2.05 -0.09 -0.81 0.00 0.00 175.30 176.05 2i4m h ARG 420 N 8.46 0.59 -0.16 5.12 9.65 -1.40 -1.14 114.38 135.50 2i4m h ARG 420 Ca -0.32 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.46 2i4m h ARG 420 Cb 1.16 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 2i4m h ARG 420 CO 0.62 0.40 -0.19 0.66 2.80 0.00 0.00 179.97 184.26 2i4m h SER 421 N 0.60 0.26 0.00 -3.80 4.64 -1.92 -3.29 113.55 110.04 2i4m h SER 421 Ca 0.16 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2i4m h SER 421 Cb -0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2i4m h SER 421 CO -0.03 0.47 0.00 -0.90 -0.87 0.00 0.00 176.83 175.49 2i4m n ASP 422 N -4.21 0.09 0.00 4.97 5.75 -1.21 -5.02 116.55 116.92 2i4m n ASP 422 Ca -0.01 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 2i4m n ASP 422 Cb 0.32 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2i4m n ASP 422 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i4m n GLY 423 N 0.04 0.90 3.56 6.12 0.00 -0.44 -4.99 105.19 110.37 2i4m n GLY 423 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2i4m n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4m n ALA 424 N -0.13 -1.59 -2.75 4.61 0.00 -1.17 -4.66 120.51 114.82 2i4m n ALA 424 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 2i4m n ALA 424 Cb 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 2i4m n ALA 424 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2i4m s ARG 425 N 0.04 0.65 -0.31 0.00 1.70 -1.26 -0.76 118.95 119.01 2i4m s ARG 425 Ca 0.81 -0.88 0.02 0.00 -0.47 0.00 0.00 55.73 55.22 2i4m s ARG 425 Cb -0.99 -0.45 0.15 0.00 -0.57 0.00 0.00 34.95 33.09 2i4m s ARG 425 CO 0.51 0.09 0.39 -2.00 -1.08 0.00 0.00 175.30 173.20 2i4m s GLU 426 N -1.84 0.45 0.21 3.89 2.12 -0.81 -5.03 118.70 117.68 2i4m s GLU 426 Ca -0.05 -0.12 -0.32 0.00 0.36 0.00 0.00 54.97 54.84 2i4m s GLU 426 Cb -0.09 -0.44 -0.11 0.00 0.26 0.00 0.00 34.13 33.75 2i4m s GLU 426 CO 0.01 -1.07 1.66 1.21 -0.54 0.00 0.00 175.26 176.53 2i4m s ASN 427 N 2.28 6.44 0.08 -1.70 2.47 -1.26 -2.32 114.94 120.93 2i4m s ASN 427 Ca 0.11 2.80 -0.01 0.00 0.42 0.00 0.00 52.86 56.19 2i4m s ASN 427 Cb -0.13 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.03 2i4m s ASN 427 CO -0.25 -0.92 0.00 -0.76 -3.72 0.00 0.00 177.10 171.45 2i4m s LEU 428 N 0.95 2.21 0.12 3.21 1.43 0.50 -4.96 118.68 122.14 2i4m s LEU 428 Ca 0.72 -1.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 2i4m s LEU 428 Cb -0.48 0.22 -0.07 0.00 0.03 0.00 0.00 46.19 45.89 2i4m s LEU 428 CO 0.34 -0.64 1.25 0.00 0.23 0.00 0.00 176.35 177.53 2i4m s ALA 429 N -3.95 3.46 0.45 4.21 0.00 -1.26 0.64 121.76 125.31 2i4m s ALA 429 Ca 0.14 0.96 0.29 0.00 0.00 0.00 0.00 51.96 53.36 2i4m s ALA 429 Cb 0.08 -3.46 1.38 0.00 0.00 0.00 0.00 23.12 21.11 2i4m s ALA 429 CO -0.05 -0.47 1.70 1.25 0.00 0.00 0.00 175.76 178.19 2i4m h LEU 430 N 6.26 0.24 -0.04 0.00 5.85 -1.77 0.16 115.31 126.01 2i4m h LEU 430 Ca -0.43 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2i4m h LEU 430 Cb 1.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2i4m h LEU 430 CO 0.80 -0.05 -0.13 0.00 -0.34 0.00 0.00 178.44 178.72 2i4m n ALA 431 N -2.59 2.70 -0.11 1.25 0.00 -1.26 -3.99 120.51 116.51 2i4m n ALA 431 Ca 0.32 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2i4m n ALA 431 Cb 1.28 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 19.21 2i4m n ALA 431 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2i4m n ASP 432 N -1.38 0.53 -0.36 0.00 9.92 0.52 -4.60 116.55 121.19 2i4m n ASP 432 Ca 0.09 -0.03 0.11 0.00 -0.53 0.00 0.00 54.79 54.42 2i4m n ASP 432 Cb 0.32 0.62 0.29 0.00 -0.64 0.00 0.00 41.12 41.71 2i4m n ASP 432 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2i4m h VAL 433 N 0.00 0.79 -0.84 2.53 3.04 -1.63 0.98 116.25 121.12 2i4m h VAL 433 Ca -0.56 -0.29 0.08 0.00 -1.01 0.00 0.00 66.70 64.92 2i4m h VAL 433 Cb 2.16 -0.14 -0.07 0.00 -2.01 0.00 0.00 31.29 31.23 2i4m h VAL 433 CO -0.00 0.16 0.50 0.58 -1.01 0.00 0.00 177.57 177.79 2i4m h VAL 434 N 0.85 0.97 0.00 1.51 2.07 -1.81 -0.30 116.25 119.54 2i4m h VAL 434 Ca 0.55 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2i4m h VAL 434 Cb 0.75 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2i4m h VAL 434 CO -0.33 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.41 2i4m n ALA 435 N -2.36 1.08 -0.14 1.67 0.00 0.34 -5.07 120.51 116.02 2i4m n ALA 435 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2i4m n ALA 435 Cb 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2i4m n ALA 435 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04