#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iji s MET 48 N 0.00 3.64 0.17 1.97 -2.45 -1.26 -0.67 119.30 120.70 3iji s MET 48 Ca 0.00 -0.42 0.07 0.00 -1.25 0.00 0.00 55.69 54.09 3iji s MET 48 Cb 0.00 -3.00 -0.04 0.00 1.25 0.00 0.00 34.83 33.03 3iji s MET 48 CO 0.00 0.36 -0.15 0.95 1.05 0.00 0.00 175.02 177.23 3iji s THR 49 N 0.07 1.66 -0.03 10.11 -4.23 0.07 -4.99 115.64 118.30 3iji s THR 49 Ca 0.02 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 3iji s THR 49 Cb -0.13 -1.86 0.07 0.00 1.34 0.00 0.00 72.50 71.92 3iji s THR 49 CO 0.02 -0.47 0.68 0.72 -0.54 0.00 0.00 174.62 175.03 3iji s PHE 50 N -2.49 -0.64 -0.00 3.99 -0.12 -1.26 -0.92 117.98 116.53 3iji s PHE 50 Ca 0.17 1.04 -0.24 0.00 -0.05 0.00 0.00 56.93 57.85 3iji s PHE 50 Cb -0.03 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 42.84 3iji s PHE 50 CO 0.06 -0.63 0.53 -0.59 -0.05 0.00 0.00 175.22 174.53 3iji s PHE 51 N -1.46 -0.45 0.36 3.49 -0.12 -0.68 -4.99 117.98 114.12 3iji s PHE 51 Ca -0.10 0.66 -0.27 0.00 -0.05 0.00 0.00 56.93 57.18 3iji s PHE 51 Cb -0.00 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.60 3iji s PHE 51 CO 0.07 -0.57 1.25 -2.14 -0.05 0.00 0.00 175.22 173.79 3iji s PRO 52 N -1.72 4.20 -0.42 1.99 0.02 -1.26 -0.97 135.00 136.84 3iji s PRO 52 Ca -0.09 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.04 3iji s PRO 52 Cb -0.01 -2.90 0.17 0.00 0.02 0.00 0.00 34.50 31.78 3iji s PRO 52 CO 0.04 -0.27 0.44 -0.47 -0.33 0.00 0.00 177.00 176.41 3iji s TYR 53 N -1.24 -0.07 0.23 6.54 5.04 0.97 -4.84 117.35 123.97 3iji s TYR 53 Ca 0.53 -1.35 -0.31 0.00 -2.44 0.00 0.00 57.07 53.49 3iji s TYR 53 Cb -0.36 -0.43 -0.12 0.00 0.35 0.00 0.00 41.96 41.40 3iji s TYR 53 CO 0.47 -0.99 1.68 -2.00 -1.34 0.00 0.00 175.55 173.37 3iji s GLU 54 N 0.77 4.13 0.10 4.97 2.12 -1.26 -3.97 118.70 125.55 3iji s GLU 54 Ca 0.26 2.58 -0.25 0.00 0.36 0.00 0.00 54.97 57.93 3iji s GLU 54 Cb -0.05 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 3iji s GLU 54 CO -0.09 -0.71 0.75 -0.51 -0.54 0.00 0.00 175.26 174.16 3iji s LEU 55 N 0.73 4.52 -0.29 2.70 1.43 0.04 -4.92 118.68 122.89 3iji s LEU 55 Ca 0.71 1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 55.23 3iji s LEU 55 Cb -0.49 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3iji s LEU 55 CO 0.36 0.12 0.15 -0.54 0.23 0.00 0.00 176.35 176.67 3iji s LYS 56 N -0.60 3.54 0.36 1.70 -0.14 -1.26 -1.37 119.74 121.97 3iji s LYS 56 Ca 0.36 -0.58 -0.19 0.00 -1.36 0.00 0.00 55.97 54.20 3iji s LYS 56 Cb -0.21 -3.55 -0.10 0.00 -1.68 0.00 0.00 37.83 32.29 3iji s LYS 56 CO 0.24 -0.32 0.85 -0.51 -0.76 0.00 0.00 175.35 174.85 3iji s LEU 57 N 1.65 4.07 0.25 3.17 1.43 -0.39 -0.55 118.68 128.32 3iji s LEU 57 Ca 0.06 1.54 0.10 0.00 -1.03 0.00 0.00 54.13 54.79 3iji s LEU 57 Cb -0.16 -4.22 0.28 0.00 0.03 0.00 0.00 46.19 42.11 3iji s LEU 57 CO 0.07 -0.23 1.57 0.03 0.23 0.00 0.00 176.35 178.01 3iji h ARG 58 N 2.34 0.01 -4.18 1.70 3.08 -1.49 -3.44 114.38 112.39 3iji h ARG 58 Ca -0.48 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.37 3iji h ARG 58 Cb 1.18 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.12 3iji h ARG 58 CO 0.63 0.67 -0.36 -1.01 -1.07 0.00 0.00 179.97 178.84 3iji s HIS 59 N -3.50 0.87 0.22 3.04 3.76 -1.26 -5.09 115.29 113.34 3iji s HIS 59 Ca -0.01 -1.13 -0.31 0.00 -0.15 0.00 0.00 55.06 53.46 3iji s HIS 59 Cb 0.12 -0.21 -0.11 0.00 1.11 0.00 0.00 32.58 33.49 3iji s HIS 59 CO 0.77 -0.86 1.59 0.08 -0.85 0.00 0.00 174.74 175.47 3iji s VAL 60 N -3.91 2.35 -0.15 -0.90 1.01 -1.26 -4.73 120.40 112.81 3iji s VAL 60 Ca 0.32 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 3iji s VAL 60 Cb 0.03 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3iji s VAL 60 CO 0.13 0.03 -0.14 0.12 0.00 0.00 0.00 175.10 175.24 3iji s PHE 61 N 0.62 2.80 -0.05 5.22 5.36 0.14 -4.94 117.98 127.14 3iji s PHE 61 Ca 0.67 -0.87 0.06 0.00 -0.96 0.00 0.00 56.93 55.83 3iji s PHE 61 Cb -0.46 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3iji s PHE 61 CO 0.38 -0.37 -0.25 0.99 -1.46 0.00 0.00 175.22 174.51 3iji s THR 62 N 0.66 2.10 -0.15 0.12 2.01 -1.26 -0.74 115.64 118.38 3iji s THR 62 Ca -0.07 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 3iji s THR 62 Cb -0.16 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.64 3iji s THR 62 CO 0.02 0.57 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.78 3iji s VAL 63 N -0.24 1.06 0.00 3.82 1.01 0.20 -4.99 120.40 121.26 3iji s VAL 63 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3iji s VAL 63 Cb -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3iji s VAL 63 CO 0.03 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.32 3iji n ALA 64 N 4.90 0.00 -0.65 5.51 0.00 -1.26 0.35 120.51 129.36 3iji n ALA 64 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3iji n ALA 64 Cb 0.48 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.28 3iji n ALA 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iji n THR 65 N 0.00 1.90 -4.81 0.00 -2.24 -1.26 -4.93 114.28 102.94 3iji n THR 65 Ca 0.00 -1.25 -0.33 0.00 -2.27 0.00 0.00 64.05 60.21 3iji n THR 65 Cb 0.00 0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 3iji n THR 65 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3iji s TYR 66 N -1.93 2.74 0.09 4.78 2.02 0.15 -5.12 117.35 120.09 3iji s TYR 66 Ca 0.50 -0.87 0.08 0.00 -0.37 0.00 0.00 57.07 56.42 3iji s TYR 66 Cb 0.33 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3iji s TYR 66 CO 0.23 -0.35 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.53 3iji s SER 67 N 0.49 2.60 0.20 2.29 0.01 -1.26 0.58 113.70 118.62 3iji s SER 67 Ca -0.11 -0.66 -0.22 0.00 1.31 0.00 0.00 55.95 56.27 3iji s SER 67 Cb -0.16 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 65.96 3iji s SER 67 CO 0.05 0.09 0.63 0.00 0.41 0.00 0.00 173.24 174.41 3iji s ARG 68 N -1.78 1.45 0.00 12.44 1.70 0.08 -4.95 118.95 127.89 3iji s ARG 68 Ca 0.07 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 3iji s ARG 68 Cb -0.10 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 3iji s ARG 68 CO 0.04 -0.64 0.82 0.25 -1.08 0.00 0.00 175.30 174.68 3iji n THR 69 N -0.40 0.66 -3.93 4.99 -2.24 -1.26 -0.68 114.28 111.42 3iji n THR 69 Ca -0.12 -0.76 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 3iji n THR 69 Cb 0.63 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 3iji n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iji s THR 70 N -0.66 0.08 -0.08 4.28 -4.23 -1.26 -1.26 115.64 112.51 3iji s THR 70 Ca 0.00 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 3iji s THR 70 Cb 0.00 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 72.16 3iji s THR 70 CO 0.00 -0.36 0.15 -0.89 -0.54 0.00 0.00 174.62 172.98 3iji s THR 71 N -3.94 -0.20 0.42 3.99 2.01 -0.47 -4.92 115.64 112.52 3iji s THR 71 Ca 0.14 0.32 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 3iji s THR 71 Cb 0.04 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 3iji s THR 71 CO -0.02 0.13 1.43 -2.84 -0.69 0.00 0.00 174.62 172.62 3iji s PRO 72 N 2.02 3.86 -0.05 4.92 0.02 -1.26 -0.78 135.00 143.73 3iji s PRO 72 Ca 0.00 2.43 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 3iji s PRO 72 Cb -0.12 -2.77 0.06 0.00 0.02 0.00 0.00 34.50 31.68 3iji s PRO 72 CO -0.06 -0.68 0.56 0.34 -0.33 0.00 0.00 177.00 176.84 3iji s ASP 73 N -0.43 -0.52 -0.07 2.53 -1.08 -1.26 -0.80 116.67 115.06 3iji s ASP 73 Ca 0.58 0.57 0.02 0.00 -0.52 0.00 0.00 52.55 53.20 3iji s ASP 73 Cb -0.44 0.52 0.01 0.00 -1.46 0.00 0.00 42.92 41.56 3iji s ASP 73 CO 0.57 -0.53 -0.12 -0.69 0.52 0.00 0.00 175.17 174.92 3iji s VAL 74 N -1.12 1.12 -0.12 1.11 1.01 0.06 -0.02 120.40 122.44 3iji s VAL 74 Ca -0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3iji s VAL 74 Cb -0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3iji s VAL 74 CO 0.08 0.35 0.26 -1.10 0.00 0.00 0.00 175.10 174.69 3iji s GLN 75 N 0.75 3.95 0.07 2.72 -1.52 -0.14 -0.90 119.66 124.59 3iji s GLN 75 Ca -0.13 0.08 0.09 0.00 -1.95 0.00 0.00 55.36 53.45 3iji s GLN 75 Cb -0.16 -3.31 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 3iji s GLN 75 CO 0.03 0.49 -0.23 0.08 -0.25 0.00 0.00 175.29 175.41 3iji s VAL 76 N -0.30 1.91 -0.01 1.09 1.01 -0.22 -1.69 120.40 122.18 3iji s VAL 76 Ca 0.17 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3iji s VAL 76 Cb -0.13 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3iji s VAL 76 CO 0.06 0.19 -0.03 -1.61 0.00 0.00 0.00 175.10 173.71 3iji s GLU 77 N -1.45 0.35 -0.16 2.72 2.02 -0.10 -0.16 118.70 121.92 3iji s GLU 77 Ca 0.10 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.01 3iji s GLU 77 Cb -0.10 -0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.78 3iji s GLU 77 CO 0.03 0.01 -0.11 0.42 0.02 0.00 0.00 175.26 175.63 3iji s ILE 78 N 0.27 1.47 -0.11 -1.63 1.01 -0.46 -0.75 121.20 121.01 3iji s ILE 78 Ca -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3iji s ILE 78 Cb -0.06 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3iji s ILE 78 CO -0.01 0.32 0.04 -0.70 0.00 0.00 0.00 174.94 174.60 3iji s GLU 79 N 1.50 3.27 -0.19 2.79 -6.30 0.16 -0.54 118.70 119.39 3iji s GLU 79 Ca 0.03 -0.34 -0.06 0.00 -2.50 0.00 0.00 54.97 52.10 3iji s GLU 79 Cb -0.14 -2.96 0.09 0.00 0.00 0.00 0.00 34.13 31.12 3iji s GLU 79 CO -0.09 0.64 0.37 -0.47 0.02 0.00 0.00 175.26 175.73 3iji s TYR 80 N -0.68 -0.70 -1.55 5.30 5.04 0.36 -0.89 117.35 124.22 3iji s TYR 80 Ca 0.11 1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 55.97 3iji s TYR 80 Cb -0.12 0.18 0.06 0.00 0.35 0.00 0.00 41.96 42.43 3iji s TYR 80 CO 0.02 -0.48 0.45 0.39 -1.34 0.00 0.00 175.55 174.60 3iji n GLU 81 N 5.38 -2.62 -0.37 4.97 1.02 -1.26 -0.84 120.64 126.91 3iji n GLU 81 Ca -0.07 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3iji n GLU 81 Cb 0.50 -4.52 0.00 0.00 -0.02 0.00 0.00 31.44 27.40 3iji n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iji n GLY 82 N -1.88 1.64 3.70 0.62 0.00 -1.26 -5.03 105.19 102.98 3iji n GLY 82 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3iji n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iji s VAL 83 N -3.15 4.45 -0.11 1.61 1.01 -0.02 -5.11 120.40 119.08 3iji s VAL 83 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3iji s VAL 83 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3iji s VAL 83 CO 0.00 0.60 -0.22 -0.89 0.00 0.00 0.00 175.10 174.59 3iji s THR 84 N -0.84 1.94 -0.15 3.92 2.01 -1.26 -0.49 115.64 120.77 3iji s THR 84 Ca 0.13 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3iji s THR 84 Cb -0.11 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3iji s THR 84 CO 0.02 0.53 0.07 -0.83 -0.69 0.00 0.00 174.62 173.73 3iji s GLY 85 N 0.53 1.96 -0.19 4.40 0.00 0.30 -4.71 107.32 109.61 3iji s GLY 85 Ca -0.15 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 3iji s GLY 85 CO 0.05 -0.16 0.12 -0.19 0.00 0.00 0.00 173.10 172.92 3iji s TYR 86 N -0.20 3.40 0.32 1.90 2.02 -1.26 -1.35 117.35 122.18 3iji s TYR 86 Ca 0.08 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 3iji s TYR 86 Cb -0.12 -2.11 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 3iji s TYR 86 CO 0.01 0.33 0.07 0.20 -1.57 0.00 0.00 175.55 174.59 3iji s GLY 87 N 0.17 2.04 -0.13 0.71 0.00 0.77 -3.45 107.32 107.43 3iji s GLY 87 Ca 0.08 -1.98 -0.26 0.00 0.00 0.00 0.00 44.72 42.57 3iji s GLY 87 CO -0.01 -1.77 0.63 1.85 0.00 0.00 0.00 173.10 173.80 3iji s GLU 88 N -3.91 0.90 -0.09 2.90 2.12 -1.25 -1.06 118.70 118.30 3iji s GLU 88 Ca 0.36 0.47 0.03 0.00 0.36 0.00 0.00 54.97 56.19 3iji s GLU 88 Cb 0.08 0.43 0.01 0.00 0.26 0.00 0.00 34.13 34.91 3iji s GLU 88 CO 0.15 -0.22 -0.18 0.00 -0.54 0.00 0.00 175.26 174.47 3iji s ALA 89 N -0.58 1.78 -0.09 6.30 0.00 -0.08 -3.38 121.76 125.71 3iji s ALA 89 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3iji s ALA 89 Cb -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3iji s ALA 89 CO 0.06 0.12 -0.18 0.45 0.00 0.00 0.00 175.76 176.21 3iji s SER 90 N 0.63 3.66 -0.63 0.00 0.15 -1.26 -0.76 113.70 115.49 3iji s SER 90 Ca -0.14 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.19 3iji s SER 90 Cb -0.16 -1.21 0.17 0.00 -1.71 0.00 0.00 66.02 63.10 3iji s SER 90 CO 0.04 0.23 0.44 -0.04 1.20 0.00 0.00 173.24 175.11 3iji s MET 91 N -0.03 2.07 0.13 5.44 -1.94 0.02 -4.91 119.30 120.08 3iji s MET 91 Ca -0.05 -3.01 -0.33 0.00 -1.71 0.00 0.00 55.69 50.59 3iji s MET 91 Cb -0.14 -2.95 -0.13 0.00 2.01 0.00 0.00 34.83 33.61 3iji s MET 91 CO 0.04 -1.30 1.69 -2.30 -0.01 0.00 0.00 175.02 173.15 3iji n PRO 92 N 2.26 2.39 -0.31 2.03 -0.02 -1.26 -4.05 135.00 136.04 3iji n PRO 92 Ca 0.21 0.87 0.05 0.00 -2.02 0.00 0.00 63.50 62.60 3iji n PRO 92 Cb 0.38 -2.68 0.13 0.00 -0.02 0.00 0.00 33.50 31.30 3iji n PRO 92 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iji h PRO 93 N 6.94 0.01 0.00 0.52 0.11 -1.94 -1.06 132.00 136.58 3iji h PRO 93 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iji h PRO 93 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3iji h PRO 93 CO 0.92 0.01 0.00 2.48 -0.21 0.00 0.00 178.00 181.19 3iji n TYR 94 N -5.54 0.10 1.60 0.65 0.18 -1.26 -2.33 117.16 110.56 3iji n TYR 94 Ca 0.14 0.04 0.15 0.00 1.88 0.00 0.00 57.90 60.11 3iji n TYR 94 Cb 0.46 -0.57 0.68 0.00 -0.38 0.00 0.00 39.34 39.53 3iji n TYR 94 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3iji n LEU 95 N -1.59 0.64 0.00 -3.48 4.77 -0.40 -4.95 117.00 111.99 3iji n LEU 95 Ca 0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3iji n LEU 95 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3iji n LEU 95 CO 0.07 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3iji n GLY 96 N 1.17 0.74 3.56 -0.72 0.00 -0.98 -5.06 105.19 103.90 3iji n GLY 96 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3iji n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iji s GLU 97 N -0.52 2.03 0.26 1.61 2.02 -1.26 -5.06 118.70 117.77 3iji s GLU 97 Ca 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.75 3iji s GLU 97 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 3iji s GLU 97 CO 0.00 0.44 0.17 0.95 0.02 0.00 0.00 175.26 176.84 3iji s THR 98 N -1.65 0.09 0.21 3.63 -4.23 -1.26 -4.71 115.64 107.72 3iji s THR 98 Ca 0.24 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 3iji s THR 98 Cb -0.09 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.40 3iji s THR 98 CO 0.15 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.66 3iji h VAL 99 N 2.41 1.09 -0.12 2.29 2.07 -1.94 -0.75 116.25 121.29 3iji h VAL 99 Ca -0.33 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3iji h VAL 99 Cb 1.24 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3iji h VAL 99 CO 0.49 0.16 0.07 -0.08 0.02 0.00 0.00 177.57 178.23 3iji h GLU 100 N 0.89 0.17 -0.70 1.57 4.81 -1.98 0.43 114.58 119.77 3iji h GLU 100 Ca 0.30 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3iji h GLU 100 Cb 0.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3iji h GLU 100 CO -0.12 0.16 0.23 0.66 -0.73 0.00 0.00 179.01 179.22 3iji h SER 101 N 0.12 1.00 -0.19 1.04 4.64 -1.86 -0.31 113.55 118.00 3iji h SER 101 Ca 0.04 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3iji h SER 101 Cb 0.04 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3iji h SER 101 CO -0.01 0.94 -0.14 0.58 -0.87 0.00 0.00 176.83 177.33 3iji h VAL 102 N 1.02 1.32 -0.68 0.95 2.07 -1.03 -0.90 116.25 119.00 3iji h VAL 102 Ca 0.23 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3iji h VAL 102 Cb 0.28 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3iji h VAL 102 CO -0.01 0.38 0.32 0.24 0.02 0.00 0.00 177.57 178.51 3iji h MET 103 N 0.10 0.99 -0.69 1.57 2.07 -0.83 -0.44 114.93 117.70 3iji h MET 103 Ca 0.04 -0.15 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 3iji h MET 103 Cb 0.65 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 3iji h MET 103 CO 0.04 0.79 0.22 -0.91 1.07 0.00 0.00 176.91 178.11 3iji h ASN 104 N 0.95 0.98 -0.16 1.22 2.35 -0.99 -1.75 115.58 118.18 3iji h ASN 104 Ca 0.23 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3iji h ASN 104 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3iji h ASN 104 CO -0.03 0.91 0.00 0.15 -1.65 0.00 0.00 177.43 176.82 3iji h PHE 105 N 1.01 0.31 -0.01 1.19 3.57 -0.69 -2.91 116.94 119.41 3iji h PHE 105 Ca 0.22 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3iji h PHE 105 Cb 0.28 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3iji h PHE 105 CO 0.02 0.49 0.00 -0.07 -2.23 0.00 0.00 178.31 176.53 3iji h LEU 106 N 0.03 0.00 -0.31 0.59 3.38 -0.89 0.03 115.31 118.14 3iji h LEU 106 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iji h LEU 106 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3iji h LEU 106 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3iji n LYS 107 N -4.45 0.11 0.05 1.13 5.02 -0.67 -2.20 118.16 117.13 3iji n LYS 107 Ca -0.03 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 3iji n LYS 107 Cb 0.09 -1.69 0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3iji n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iji n LYS 108 N -1.89 0.30 -2.77 1.97 5.02 -0.01 -4.89 118.16 115.90 3iji n LYS 108 Ca 0.03 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 3iji n LYS 108 Cb 0.23 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 3iji n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3iji s VAL 109 N -3.19 4.77 -0.40 -0.18 1.01 -0.94 -5.02 120.40 116.46 3iji s VAL 109 Ca 0.05 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 3iji s VAL 109 Cb 0.14 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.40 3iji s VAL 109 CO 0.76 -0.09 0.19 0.21 0.00 0.00 0.00 175.10 176.17 3iji s ASN 110 N 1.22 5.21 0.00 3.32 2.47 -1.26 -4.90 114.94 121.00 3iji s ASN 110 Ca 0.41 -2.01 0.23 0.00 0.42 0.00 0.00 52.86 51.91 3iji s ASN 110 Cb -0.16 -1.81 0.16 0.00 -1.45 0.00 0.00 41.25 37.99 3iji s ASN 110 CO 0.09 -0.52 1.17 0.18 -3.72 0.00 0.00 177.10 174.30 3iji n LEU 111 N 4.57 0.76 -0.01 3.21 4.77 -1.26 -4.15 117.00 124.89 3iji n LEU 111 Ca -0.02 -0.25 0.02 0.00 -0.03 0.00 0.00 56.01 55.73 3iji n LEU 111 Cb 0.41 -0.13 0.35 0.00 -2.33 0.00 0.00 43.42 41.73 3iji n LEU 111 CO 0.32 0.19 1.05 -0.33 -1.33 0.00 0.00 177.39 177.29 3iji h GLU 112 N 0.04 0.55 0.00 3.23 3.07 -2.01 -1.98 114.58 117.48 3iji h GLU 112 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3iji h GLU 112 Cb 0.50 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3iji h GLU 112 CO 0.00 0.46 0.00 0.00 -1.40 0.00 0.00 179.01 178.07 3iji n GLN 113 N -4.38 0.06 -3.68 2.33 10.64 -1.26 -4.58 117.38 116.51 3iji n GLN 113 Ca 0.02 0.35 -0.37 0.00 -1.83 0.00 0.00 57.00 55.18 3iji n GLN 113 Cb 0.15 -1.62 -0.10 0.00 -0.86 0.00 0.00 30.24 27.80 3iji n GLN 113 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iji s PHE 114 N -3.11 3.27 -1.49 2.61 0.08 -0.74 -4.98 117.98 113.61 3iji s PHE 114 Ca 0.05 0.14 0.24 0.00 0.12 0.00 0.00 56.93 57.48 3iji s PHE 114 Cb 0.08 -2.28 0.38 0.00 -0.57 0.00 0.00 43.02 40.63 3iji s PHE 114 CO 0.26 -0.01 1.32 -1.13 -0.10 0.00 0.00 175.22 175.56 3iji n SER 115 N 4.44 1.08 -3.76 1.36 3.41 -1.26 -4.80 113.62 114.10 3iji n SER 115 Ca -0.15 -0.86 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 3iji n SER 115 Cb 0.52 0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 64.69 3iji n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iji s ASP 116 N -2.71 3.75 0.59 4.04 -1.08 -1.26 -5.00 116.67 115.00 3iji s ASP 116 Ca 0.17 -1.40 0.28 0.00 -0.52 0.00 0.00 52.55 51.09 3iji s ASP 116 Cb 0.18 -0.83 1.62 0.00 -1.46 0.00 0.00 42.92 42.42 3iji s ASP 116 CO 0.64 -0.37 2.07 -0.65 0.52 0.00 0.00 175.17 177.37 3iji h PRO 117 N 8.11 0.00 0.00 4.34 0.11 -1.99 -2.11 132.00 140.46 3iji h PRO 117 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3iji h PRO 117 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3iji h PRO 117 CO 0.43 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 178.96 3iji h PHE 118 N 0.00 0.00 -0.32 0.65 0.04 -1.96 -3.34 116.94 112.01 3iji h PHE 118 Ca 0.11 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.18 3iji h PHE 118 Cb 0.60 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 3iji h PHE 118 CO 0.00 0.00 3.36 1.04 -0.60 0.00 0.00 178.31 182.11 3iji n GLN 119 N -2.76 3.77 0.05 1.51 6.02 -0.79 -4.67 117.38 120.50 3iji n GLN 119 Ca 0.01 -2.60 0.03 0.00 -0.01 0.00 0.00 57.00 54.43 3iji n GLN 119 Cb 0.26 -2.84 0.39 0.00 1.02 0.00 0.00 30.24 29.07 3iji n GLN 119 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3iji h LEU 120 N 7.18 0.39 0.17 1.08 3.38 -1.86 -0.78 115.31 124.87 3iji h LEU 120 Ca 0.77 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.69 3iji h LEU 120 Cb 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iji h LEU 120 CO 1.73 0.40 -0.10 -0.08 0.09 0.00 0.00 178.44 180.48 3iji h GLU 121 N 0.42 -0.25 -0.22 1.13 4.57 -1.96 -0.09 114.58 118.19 3iji h GLU 121 Ca 0.10 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3iji h GLU 121 Cb 0.17 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3iji h GLU 121 CO -0.00 -0.17 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.19 3iji h ASP 122 N -0.26 0.40 -0.10 1.04 5.19 -1.90 -2.00 116.42 118.80 3iji h ASP 122 Ca -0.02 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3iji h ASP 122 Cb 0.22 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 3iji h ASP 122 CO 0.02 0.65 0.05 0.40 -3.12 0.00 0.00 179.24 177.23 3iji h ILE 123 N 0.15 1.11 0.00 0.35 2.04 -1.10 -1.94 117.51 118.12 3iji h ILE 123 Ca 0.06 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3iji h ILE 123 Cb 0.45 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3iji h ILE 123 CO 0.02 0.10 -0.18 -0.07 0.00 0.00 0.00 178.15 178.02 3iji h LEU 124 N 0.04 0.00 -0.28 1.44 3.38 -1.07 -0.61 115.31 118.22 3iji h LEU 124 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3iji h LEU 124 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iji h LEU 124 CO -0.00 0.18 -0.35 -1.28 0.09 0.00 0.00 178.44 177.08 3iji h SER 125 N 0.00 0.78 -0.27 -0.43 0.87 -1.19 -1.31 113.55 112.00 3iji h SER 125 Ca -0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 3iji h SER 125 Cb 0.75 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3iji h SER 125 CO 0.02 1.12 0.14 0.22 -0.53 0.00 0.00 176.83 177.80 3iji h TYR 126 N 0.46 0.38 -0.66 2.24 3.20 -0.92 -1.87 116.97 119.79 3iji h TYR 126 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3iji h TYR 126 Cb 0.93 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3iji h TYR 126 CO 0.08 0.34 0.42 0.28 -1.64 0.00 0.00 178.16 177.63 3iji h VAL 127 N 0.31 1.11 -0.23 1.81 2.07 -1.04 -2.26 116.25 118.02 3iji h VAL 127 Ca 0.09 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3iji h VAL 127 Cb 0.09 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3iji h VAL 127 CO -0.01 0.15 -0.09 -0.78 0.02 0.00 0.00 177.57 176.86 3iji h ASP 128 N 0.82 0.35 0.78 0.57 3.58 -1.02 -2.68 116.42 118.82 3iji h ASP 128 Ca 0.26 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3iji h ASP 128 Cb -0.01 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.95 3iji h ASP 128 CO -0.09 0.48 0.00 0.77 -2.88 0.00 0.00 179.24 177.52 3iji h SER 129 N 0.35 0.00 0.78 2.28 4.64 -0.73 -3.21 113.55 117.66 3iji h SER 129 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3iji h SER 129 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3iji h SER 129 CO 0.02 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.86 3iji h LEU 130 N 0.00 0.00 -7.08 5.97 3.38 -1.39 -3.45 115.31 112.73 3iji h LEU 130 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3iji h LEU 130 Cb 0.39 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 3iji h LEU 130 CO 0.00 0.05 0.27 -0.94 0.09 0.00 0.00 178.44 177.91 3iji s SER 131 N -5.76 -0.50 0.24 -0.43 1.04 -1.21 -5.06 113.70 102.01 3iji s SER 131 Ca -0.00 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 3iji s SER 131 Cb 0.10 0.57 0.26 0.00 0.10 0.00 0.00 66.02 67.05 3iji s SER 131 CO 0.55 -0.93 1.64 1.55 0.98 0.00 0.00 173.24 177.03 3iji h PRO 132 N 2.00 0.60 0.00 4.02 0.13 -1.88 -3.47 132.00 133.40 3iji h PRO 132 Ca -0.31 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3iji h PRO 132 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3iji h PRO 132 CO 0.35 0.84 0.00 1.63 -0.23 0.00 0.00 178.00 180.59 3iji n LYS 133 N -4.08 0.00 -4.00 0.86 5.02 -1.26 -4.98 118.16 109.72 3iji n LYS 133 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3iji n LYS 133 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.45 3iji n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3iji n ASP 134 N 0.00 -1.10 0.12 4.39 8.00 -1.26 -4.86 116.55 121.84 3iji n ASP 134 Ca 0.00 -0.99 0.03 0.00 0.71 0.00 0.00 54.79 54.54 3iji n ASP 134 Cb 0.00 -3.06 0.43 0.00 -0.02 0.00 0.00 41.12 38.47 3iji n ASP 134 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3iji h THR 135 N -1.79 1.14 -0.23 -3.53 1.35 -1.89 -1.62 112.91 106.34 3iji h THR 135 Ca -0.62 -0.57 -0.19 0.00 -0.55 0.00 0.00 66.41 64.48 3iji h THR 135 Cb 1.38 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3iji h THR 135 CO 0.65 0.18 -0.58 0.00 -0.25 0.00 0.00 175.52 175.53 3iji h ALA 136 N 1.71 0.38 -0.61 6.62 0.00 -1.81 0.70 119.26 126.26 3iji h ALA 136 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3iji h ALA 136 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3iji h ALA 136 CO 0.01 0.62 0.26 0.00 0.00 0.00 0.00 179.25 180.14 3iji h ALA 137 N 0.62 0.79 -0.49 0.00 0.00 -1.82 -1.55 119.26 116.80 3iji h ALA 137 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3iji h ALA 137 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3iji h ALA 137 CO 0.13 0.38 -0.08 0.87 0.00 0.00 0.00 179.25 180.55 3iji h LYS 138 N 0.84 0.88 -0.74 0.00 1.57 -1.21 -2.73 116.57 115.17 3iji h LYS 138 Ca 0.20 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3iji h LYS 138 Cb 0.17 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3iji h LYS 138 CO -0.02 0.93 0.42 0.00 -0.57 0.00 0.00 179.45 180.21 3iji h ALA 139 N 1.11 1.35 -0.99 3.86 0.00 -0.38 -1.70 119.26 122.51 3iji h ALA 139 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iji h ALA 139 Cb 0.59 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3iji h ALA 139 CO 0.04 0.54 0.65 0.00 0.00 0.00 0.00 179.25 180.48 3iji h ALA 140 N 1.44 1.26 -0.30 0.00 0.00 -0.98 0.19 119.26 120.86 3iji h ALA 140 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3iji h ALA 140 Cb -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3iji h ALA 140 CO -0.05 0.63 -0.19 0.28 0.00 0.00 0.00 179.25 179.92 3iji h VAL 141 N 1.33 1.30 -0.21 0.00 2.07 -1.36 -2.28 116.25 117.09 3iji h VAL 141 Ca 0.37 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3iji h VAL 141 Cb -0.14 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3iji h VAL 141 CO -0.08 0.42 0.13 -0.78 0.02 0.00 0.00 177.57 177.28 3iji h ASP 142 N 0.41 0.25 -0.49 0.57 -0.00 -0.79 -0.91 116.42 115.45 3iji h ASP 142 Ca 0.06 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.05 3iji h ASP 142 Cb 0.73 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 3iji h ASP 142 CO 0.05 0.21 0.29 0.40 -0.00 0.00 0.00 179.24 180.19 3iji h ILE 143 N 0.27 1.16 -0.70 2.25 2.04 -0.62 -0.60 117.51 121.30 3iji h ILE 143 Ca 0.08 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3iji h ILE 143 Cb 0.00 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3iji h ILE 143 CO -0.02 0.16 0.33 0.00 0.00 0.00 0.00 178.15 178.62 3iji h ALA 144 N 1.14 0.91 -0.75 1.87 0.00 -1.25 -0.82 119.26 120.35 3iji h ALA 144 Ca 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iji h ALA 144 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3iji h ALA 144 CO -0.03 0.48 0.24 -0.07 0.00 0.00 0.00 179.25 179.86 3iji h LEU 145 N 0.98 1.09 -0.62 0.00 3.38 -0.79 -0.52 115.31 118.83 3iji h LEU 145 Ca 0.24 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3iji h LEU 145 Cb 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3iji h LEU 145 CO -0.03 1.01 -0.27 0.45 0.09 0.00 0.00 178.44 179.69 3iji h HIS 146 N 1.12 0.92 -0.53 1.13 3.86 -0.81 0.29 115.15 121.14 3iji h HIS 146 Ca 0.24 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3iji h HIS 146 Cb 0.31 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3iji h HIS 146 CO 0.03 0.98 0.18 0.22 0.86 0.00 0.00 177.93 180.19 3iji h ASP 147 N 0.68 0.75 0.11 2.45 3.58 -0.84 -0.39 116.42 122.77 3iji h ASP 147 Ca 0.08 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 3iji h ASP 147 Cb 0.81 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3iji h ASP 147 CO 0.07 0.75 -0.05 0.25 -2.88 0.00 0.00 179.24 177.38 3iji h LEU 148 N 0.72 -0.12 -0.84 2.28 5.85 -0.87 -1.36 115.31 120.97 3iji h LEU 148 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3iji h LEU 148 Cb 0.26 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3iji h LEU 148 CO -0.01 0.02 0.53 0.58 -0.34 0.00 0.00 178.44 179.21 3iji h VAL 149 N -0.26 1.23 -0.67 1.05 2.07 -0.83 0.08 116.25 118.92 3iji h VAL 149 Ca -0.01 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3iji h VAL 149 Cb 0.21 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3iji h VAL 149 CO 0.02 0.23 0.19 1.23 0.02 0.00 0.00 177.57 179.26 3iji h GLY 150 N 1.15 1.11 1.29 2.17 0.00 -0.96 -0.55 103.07 107.27 3iji h GLY 150 Ca 0.30 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 3iji h GLY 150 CO -0.06 0.61 -0.14 0.50 0.00 0.00 0.00 176.54 177.45 3iji h LYS 151 N 0.99 0.83 -0.17 4.80 1.57 -0.67 0.35 116.57 124.27 3iji h LYS 151 Ca 0.21 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3iji h LYS 151 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3iji h LYS 151 CO -0.00 0.93 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.45 3iji h LEU 152 N 0.74 0.31 0.00 2.94 3.38 -0.42 -2.68 115.31 119.59 3iji h LEU 152 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iji h LEU 152 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3iji h LEU 152 CO 0.05 0.60 -0.58 -0.07 0.09 0.00 0.00 178.44 178.52 3iji h LEU 153 N 0.28 0.00 -0.30 1.67 3.38 -0.78 -3.48 115.31 116.07 3iji h LEU 153 Ca 0.04 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3iji h LEU 153 Cb 0.65 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.43 3iji h LEU 153 CO 0.05 0.06 -0.23 0.61 0.09 0.00 0.00 178.44 179.02 3iji n GLY 154 N 1.28 0.30 3.32 0.83 0.00 0.11 -5.05 105.19 105.99 3iji n GLY 154 Ca 0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 3iji n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji s ALA 155 N -2.88 -1.07 0.53 4.61 0.00 -0.53 -4.88 121.76 117.54 3iji s ALA 155 Ca 0.15 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 3iji s ALA 155 Cb -0.06 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 3iji s ALA 155 CO 0.18 -0.34 1.01 -2.14 0.00 0.00 0.00 175.76 174.47 3iji s PRO 156 N -1.61 3.79 0.44 0.00 0.02 -1.26 -1.51 135.00 134.86 3iji s PRO 156 Ca -0.11 1.06 0.18 0.00 0.02 0.00 0.00 61.00 62.15 3iji s PRO 156 Cb -0.03 -2.11 1.02 0.00 0.02 0.00 0.00 34.50 33.41 3iji s PRO 156 CO 0.04 -0.41 1.95 -1.49 -0.33 0.00 0.00 177.00 176.76 3iji h TRP 157 N 0.90 0.00 -0.39 6.54 4.06 -1.78 -1.82 115.95 123.46 3iji h TRP 157 Ca -0.47 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.47 3iji h TRP 157 Cb 1.20 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 3iji h TRP 157 CO 0.62 0.23 0.19 0.10 -3.56 0.00 0.00 178.44 176.02 3iji h TYR 158 N 0.00 0.53 -0.00 0.49 -0.00 -1.87 0.12 116.97 116.23 3iji h TYR 158 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 58.73 58.50 3iji h TYR 158 Cb 0.46 -0.17 0.02 0.00 0.00 0.00 0.00 36.73 37.03 3iji h TYR 158 CO 0.00 0.40 -0.84 -0.22 -0.00 0.00 0.00 178.16 177.49 3iji h LYS 159 N 0.55 0.58 -0.79 0.10 3.64 -1.60 0.91 116.57 119.96 3iji h LYS 159 Ca 0.14 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3iji h LYS 159 Cb 0.06 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3iji h LYS 159 CO -0.02 1.23 0.40 0.82 -2.27 0.00 0.00 179.45 179.61 3iji h ILE 160 N 0.18 1.24 0.00 2.00 2.04 -0.91 -1.14 117.51 120.92 3iji h ILE 160 Ca -0.10 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3iji h ILE 160 Cb 1.52 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3iji h ILE 160 CO 0.17 0.28 0.00 0.79 0.00 0.00 0.00 178.15 179.39 3iji n TRP 161 N -4.33 0.00 -1.64 1.37 8.01 0.36 -4.91 117.44 116.31 3iji n TRP 161 Ca 0.08 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.25 3iji n TRP 161 Cb 0.13 -0.28 -0.00 0.00 -2.01 0.00 0.00 31.31 29.14 3iji n TRP 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3iji n GLY 162 N 0.87 0.38 3.94 6.99 0.00 -0.43 -5.05 105.19 111.89 3iji n GLY 162 Ca 0.12 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 3iji n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iji s LEU 163 N -0.40 4.10 -0.41 0.99 1.43 0.28 -5.02 118.68 119.66 3iji s LEU 163 Ca 0.00 0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3iji s LEU 163 Cb 0.00 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 43.01 3iji s LEU 163 CO 0.00 -0.21 0.42 0.21 0.23 0.00 0.00 176.35 177.00 3iji s ASN 164 N -3.82 6.19 0.66 2.29 3.84 -1.26 -4.55 114.94 118.28 3iji s ASN 164 Ca 0.39 -0.62 0.43 0.00 0.21 0.00 0.00 52.86 53.27 3iji s ASN 164 Cb -0.10 -2.22 2.36 0.00 -0.55 0.00 0.00 41.25 40.75 3iji s ASN 164 CO 0.33 -0.53 2.36 0.07 -2.79 0.00 0.00 177.10 176.54 3iji h LYS 165 N 8.68 0.00 0.00 0.43 2.10 -1.97 -0.42 116.57 125.39 3iji h LYS 165 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3iji h LYS 165 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3iji h LYS 165 CO 0.77 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.61 3iji n GLU 166 N -3.18 0.18 -0.55 0.07 -0.58 -1.26 -2.67 120.64 112.65 3iji n GLU 166 Ca -0.03 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.89 3iji n GLU 166 Cb 0.07 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 29.77 3iji n GLU 166 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3iji n LYS 167 N -1.38 3.43 -1.86 3.49 5.02 -0.16 -4.96 118.16 121.74 3iji n LYS 167 Ca 0.08 -2.57 -0.37 0.00 -2.02 0.00 0.00 58.31 53.44 3iji n LYS 167 Cb 0.21 -1.82 0.05 0.00 -0.02 0.00 0.00 35.03 33.45 3iji n LYS 167 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3iji s THR 168 N -1.79 2.27 0.70 -0.18 -4.23 -1.09 -4.43 115.64 106.89 3iji s THR 168 Ca 0.46 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 3iji s THR 168 Cb 0.29 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 71.15 3iji s THR 168 CO 0.23 -0.03 0.98 -2.16 -0.54 0.00 0.00 174.62 173.09 3iji s PRO 169 N -3.33 1.95 0.27 3.99 0.04 -1.26 -4.78 135.00 131.89 3iji s PRO 169 Ca 0.80 -0.69 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 3iji s PRO 169 Cb -0.35 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 3iji s PRO 169 CO 0.37 -1.29 0.86 -1.12 0.04 0.00 0.00 177.00 175.86 3iji s SER 170 N -4.61 7.29 -0.03 6.66 0.01 -1.26 -1.37 113.70 120.40 3iji s SER 170 Ca 0.63 1.70 -0.03 0.00 1.31 0.00 0.00 55.95 59.56 3iji s SER 170 Cb -0.08 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3iji s SER 170 CO 0.44 0.01 0.17 0.28 0.41 0.00 0.00 173.24 174.54 3iji s THR 171 N -1.51 5.38 0.76 1.44 -1.32 -0.96 -4.11 115.64 115.32 3iji s THR 171 Ca 0.46 -0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.70 3iji s THR 171 Cb -0.19 -3.48 0.05 0.00 -1.51 0.00 0.00 72.50 67.37 3iji s THR 171 CO 0.24 0.38 1.10 0.42 -2.21 0.00 0.00 174.62 174.55 3iji s THR 172 N -1.26 3.16 -0.00 5.08 -4.23 -0.71 -4.56 115.64 113.12 3iji s THR 172 Ca 0.25 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3iji s THR 172 Cb -0.12 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3iji s THR 172 CO 0.16 -0.49 -0.00 0.12 -0.54 0.00 0.00 174.62 173.86 3iji s PHE 173 N -3.28 0.04 0.07 3.99 5.36 -1.22 -4.59 117.98 118.36 3iji s PHE 173 Ca 0.60 -0.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.39 3iji s PHE 173 Cb -0.13 -0.03 -0.06 0.00 -0.34 0.00 0.00 43.02 42.46 3iji s PHE 173 CO 0.53 -0.00 0.52 0.99 -1.46 0.00 0.00 175.22 175.80 3iji s THR 174 N 0.01 4.84 -0.37 0.12 2.01 -1.26 -0.72 115.64 120.28 3iji s THR 174 Ca -0.00 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.91 3iji s THR 174 Cb -0.00 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.72 3iji s THR 174 CO -0.00 0.48 0.21 -0.63 -0.69 0.00 0.00 174.62 173.99 3iji s ILE 175 N -1.19 4.62 0.60 1.82 -1.09 -0.70 -4.93 121.20 120.32 3iji s ILE 175 Ca 0.30 -0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 57.76 3iji s ILE 175 Cb -0.18 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3iji s ILE 175 CO 0.18 -0.21 1.04 -0.83 -1.23 0.00 0.00 174.94 173.88 3iji s GLY 176 N 1.57 2.01 0.28 6.18 0.00 -1.26 -4.63 107.32 111.46 3iji s GLY 176 Ca 0.02 0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 3iji s GLY 176 CO 0.07 0.58 1.39 -0.42 0.00 0.00 0.00 173.10 174.71 3iji s ILE 177 N -2.63 2.69 -0.01 0.90 1.01 -1.26 -4.80 121.20 117.11 3iji s ILE 177 Ca 0.61 0.62 -0.09 0.00 0.00 0.00 0.00 60.65 61.79 3iji s ILE 177 Cb -0.14 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.96 3iji s ILE 177 CO 0.40 0.12 0.42 -0.67 0.00 0.00 0.00 174.94 175.21 3iji n ASP 178 N 1.75 -0.40 -4.76 3.58 -0.08 -1.26 -5.04 116.55 110.34 3iji n ASP 178 Ca 0.04 -1.08 -0.37 0.00 -1.51 0.00 0.00 54.79 51.87 3iji n ASP 178 Cb 0.41 0.61 0.02 0.00 2.34 0.00 0.00 41.12 44.51 3iji n ASP 178 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3iji s THR 179 N -2.11 2.57 0.44 5.18 -4.23 -1.26 -4.70 115.64 111.52 3iji s THR 179 Ca 0.10 0.40 0.25 0.00 -1.18 0.00 0.00 61.69 61.26 3iji s THR 179 Cb -0.00 -3.19 0.45 0.00 1.34 0.00 0.00 72.50 71.10 3iji s THR 179 CO -0.00 -0.03 1.74 -0.65 -0.54 0.00 0.00 174.62 175.13 3iji h PRO 180 N 1.40 0.23 -0.21 3.99 0.11 -1.99 0.66 132.00 136.19 3iji h PRO 180 Ca -0.50 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3iji h PRO 180 Cb 1.29 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iji h PRO 180 CO 0.57 0.15 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.83 3iji h ASP 181 N 0.24 0.58 -0.47 -2.05 3.32 -2.00 -2.15 116.42 113.90 3iji h ASP 181 Ca 0.65 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3iji h ASP 181 Cb 1.95 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 3iji h ASP 181 CO -0.26 0.96 -0.10 0.58 -1.72 0.00 0.00 179.24 178.70 3iji h VAL 182 N 0.22 1.26 0.39 -1.35 2.07 -1.31 -2.08 116.25 115.45 3iji h VAL 182 Ca 0.03 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3iji h VAL 182 Cb 0.81 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3iji h VAL 182 CO 0.06 0.43 -0.19 0.58 0.02 0.00 0.00 177.57 178.47 3iji h VAL 183 N 0.84 0.62 -0.32 2.57 2.07 -1.00 0.10 116.25 121.14 3iji h VAL 183 Ca 0.14 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3iji h VAL 183 Cb 0.63 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3iji h VAL 183 CO 0.04 0.02 0.21 0.03 0.02 0.00 0.00 177.57 177.89 3iji h ARG 184 N -0.57 0.40 0.35 1.57 3.08 -1.37 0.54 114.38 118.37 3iji h ARG 184 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3iji h ARG 184 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3iji h ARG 184 CO 0.09 0.27 -0.17 0.00 -1.07 0.00 0.00 179.97 179.08 3iji h ALA 185 N 1.80 -0.47 -0.37 0.04 0.00 -1.01 -1.97 119.26 117.28 3iji h ALA 185 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iji h ALA 185 Cb -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iji h ALA 185 CO -0.03 -0.57 0.07 0.87 0.00 0.00 0.00 179.25 179.59 3iji h LYS 186 N -0.86 0.56 -0.18 0.00 1.57 -0.77 -0.41 116.57 116.48 3iji h LYS 186 Ca -0.05 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3iji h LYS 186 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3iji h LYS 186 CO 0.08 0.54 0.11 1.15 -0.57 0.00 0.00 179.45 180.76 3iji h THR 187 N 0.55 1.07 -0.54 -0.16 2.02 -0.90 -2.46 112.91 112.49 3iji h THR 187 Ca 0.12 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3iji h THR 187 Cb 0.25 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3iji h THR 187 CO 0.00 0.07 0.29 0.11 0.37 0.00 0.00 175.52 176.36 3iji h LYS 188 N 0.22 0.76 -1.00 6.66 1.57 -0.76 0.25 116.57 124.27 3iji h LYS 188 Ca 0.07 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3iji h LYS 188 Cb 0.02 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.11 3iji h LYS 188 CO -0.01 0.60 0.64 0.93 -0.57 0.00 0.00 179.45 181.03 3iji h GLU 189 N 0.72 1.08 0.00 3.15 5.08 -0.82 -2.92 114.58 120.88 3iji h GLU 189 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iji h GLU 189 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3iji h GLU 189 CO -0.03 0.72 -1.53 0.00 -1.00 0.00 0.00 179.01 177.17 3iji s ALA 191 N -3.22 2.32 0.00 0.00 0.00 0.88 -1.79 121.76 119.95 3iji s ALA 191 Ca -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.67 3iji s ALA 191 Cb 0.14 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.63 3iji s ALA 191 CO 0.86 -4.43 0.00 0.41 0.00 0.00 0.00 175.76 172.59 3iji n GLY 192 N 5.98 0.00 0.01 0.00 0.00 -1.26 -4.88 105.19 105.02 3iji n GLY 192 Ca 0.44 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.52 3iji n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iji n LEU 193 N 0.00 0.01 -4.51 0.99 4.77 -0.74 -4.99 117.00 112.53 3iji n LEU 193 Ca 0.00 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 3iji n LEU 193 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3iji n LEU 193 CO 0.00 0.00 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.25 3iji s PHE 194 N -2.85 2.44 -0.77 -1.77 0.08 -1.23 -2.48 117.98 111.40 3iji s PHE 194 Ca -0.04 -0.29 0.19 0.00 0.12 0.00 0.00 56.93 56.90 3iji s PHE 194 Cb 0.08 -1.13 -0.22 0.00 -0.57 0.00 0.00 43.02 41.18 3iji s PHE 194 CO 0.52 0.60 0.75 0.09 -0.10 0.00 0.00 175.22 177.08 3iji n ASN 195 N -0.31 0.84 -3.72 1.36 5.03 -1.26 -4.94 115.26 112.25 3iji n ASN 195 Ca -0.08 -0.81 -0.13 0.00 0.87 0.00 0.00 54.58 54.43 3iji n ASN 195 Cb 0.58 1.13 -0.10 0.00 -1.02 0.00 0.00 39.78 40.37 3iji n ASN 195 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3iji s ILE 196 N -2.87 -0.00 0.10 2.41 2.07 -1.26 -4.22 121.20 117.42 3iji s ILE 196 Ca 0.05 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.36 3iji s ILE 196 Cb 0.14 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 3iji s ILE 196 CO 0.78 0.00 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.98 3iji s LEU 197 N 0.29 3.13 -0.06 8.50 1.43 -0.71 -3.41 118.68 127.85 3iji s LEU 197 Ca -0.00 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3iji s LEU 197 Cb -0.03 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3iji s LEU 197 CO -0.00 0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 175.95 3iji s LYS 198 N -2.20 2.75 -0.04 1.70 2.20 0.10 -0.11 119.74 124.14 3iji s LYS 198 Ca 0.22 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3iji s LYS 198 Cb -0.11 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 3iji s LYS 198 CO 0.14 0.66 -0.04 0.08 -0.36 0.00 0.00 175.35 175.83 3iji s VAL 199 N -0.85 0.48 -0.35 4.02 1.01 -0.56 -1.73 120.40 122.42 3iji s VAL 199 Ca 0.13 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 3iji s VAL 199 Cb -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3iji s VAL 199 CO 0.02 0.20 0.47 -0.54 0.00 0.00 0.00 175.10 175.26 3iji s LYS 200 N 0.81 3.57 0.00 2.72 1.02 -1.26 -1.82 119.74 124.78 3iji s LYS 200 Ca -0.10 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3iji s LYS 200 Cb -0.13 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 3iji s LYS 200 CO 0.00 -0.63 0.00 1.28 -0.92 0.00 0.00 175.35 175.08 3iji n LEU 201 N 5.64 0.00 0.00 3.17 4.77 -0.00 -4.77 117.00 125.82 3iji n LEU 201 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3iji n LEU 201 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3iji n LEU 201 CO 0.44 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3iji n GLY 202 N 5.00 0.69 0.00 -0.72 0.00 -1.26 -4.52 105.19 104.38 3iji n GLY 202 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3iji n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iji n ARG 203 N -2.59 3.85 -0.00 1.61 3.00 -1.26 -4.78 116.66 116.49 3iji n ARG 203 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.89 3iji n ARG 203 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 3iji n ARG 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3iji n ASP 204 N 0.00 0.89 -1.42 0.55 9.92 -1.26 -4.60 116.55 120.63 3iji n ASP 204 Ca 0.00 -0.61 -0.03 0.00 -0.53 0.00 0.00 54.79 53.62 3iji n ASP 204 Cb 0.00 1.10 0.10 0.00 -0.64 0.00 0.00 41.12 41.69 3iji n ASP 204 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3iji n ASN 205 N -1.38 2.44 -0.11 -2.24 6.94 -1.26 -4.90 115.26 114.76 3iji n ASN 205 Ca 0.01 -3.29 -0.06 0.00 -0.02 0.00 0.00 54.58 51.22 3iji n ASN 205 Cb 0.19 -0.43 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 3iji n ASN 205 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3iji h ASP 206 N 1.51 -0.68 -0.27 0.53 3.32 -1.97 -0.19 116.42 118.69 3iji h ASP 206 Ca 0.04 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3iji h ASP 206 Cb 1.35 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 3iji h ASP 206 CO 0.25 -0.23 0.16 0.11 -1.72 0.00 0.00 179.24 177.81 3iji h LYS 207 N -0.14 0.36 -0.81 3.56 1.57 -1.98 -1.57 116.57 117.57 3iji h LYS 207 Ca 0.19 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3iji h LYS 207 Cb 0.43 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3iji h LYS 207 CO -0.46 0.28 0.51 1.49 -0.57 0.00 0.00 179.45 180.70 3iji h GLU 208 N 0.34 0.94 -0.02 3.15 4.81 -1.86 0.07 114.58 122.01 3iji h GLU 208 Ca 0.10 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3iji h GLU 208 Cb 0.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3iji h GLU 208 CO -0.02 0.62 -0.04 1.98 -0.73 0.00 0.00 179.01 180.83 3iji h MET 209 N 0.97 -0.06 -0.66 1.92 4.05 -0.61 0.16 114.93 120.71 3iji h MET 209 Ca 0.33 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.71 3iji h MET 209 Cb 0.06 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3iji h MET 209 CO -0.13 -0.04 0.21 0.82 0.23 0.00 0.00 176.91 178.00 3iji h ILE 210 N -0.06 1.25 -0.66 1.77 1.08 -0.92 -1.46 117.51 118.51 3iji h ILE 210 Ca 0.02 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.61 3iji h ILE 210 Cb 0.09 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3iji h ILE 210 CO -0.05 0.33 0.25 -0.33 -0.69 0.00 0.00 178.15 177.65 3iji h GLU 211 N 0.95 1.00 0.16 2.37 5.08 -0.70 0.45 114.58 123.88 3iji h GLU 211 Ca 0.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3iji h GLU 211 Cb 0.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3iji h GLU 211 CO -0.01 0.85 -0.08 1.15 -1.00 0.00 0.00 179.01 179.92 3iji h THR 212 N 0.94 0.87 -0.10 1.13 2.02 -0.40 -1.70 112.91 115.68 3iji h THR 212 Ca 0.22 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3iji h THR 212 Cb 0.23 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3iji h THR 212 CO -0.01 0.03 0.06 0.40 0.37 0.00 0.00 175.52 176.36 3iji h ILE 213 N -0.26 1.09 0.00 3.11 2.04 -1.16 -2.45 117.51 119.88 3iji h ILE 213 Ca -0.02 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3iji h ILE 213 Cb 0.20 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3iji h ILE 213 CO 0.04 0.08 0.00 -1.14 0.00 0.00 0.00 178.15 177.13 3iji n ARG 214 N -4.96 0.16 0.07 2.37 3.00 0.14 -1.60 116.66 115.84 3iji n ARG 214 Ca -0.05 0.58 0.13 0.00 -0.00 0.00 0.00 57.85 58.51 3iji n ARG 214 Cb 0.07 -1.95 0.42 0.00 0.00 0.00 0.00 32.46 31.00 3iji n ARG 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3iji n SER 215 N -2.28 0.60 0.00 6.15 3.41 -0.65 -3.81 113.62 117.04 3iji n SER 215 Ca -0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3iji n SER 215 Cb 0.10 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3iji n SER 215 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3iji n VAL 216 N -2.04 0.50 -3.54 -3.33 0.24 -0.63 -5.07 118.33 104.46 3iji n VAL 216 Ca 0.06 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.34 61.58 3iji n VAL 216 Cb 0.41 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 3iji n VAL 216 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3iji s THR 217 N -0.50 0.00 -0.42 3.34 -1.32 -1.04 -4.86 115.64 110.85 3iji s THR 217 Ca 0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3iji s THR 217 Cb 0.00 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 3iji s THR 217 CO 0.00 0.00 1.33 -0.90 -2.21 0.00 0.00 174.62 172.84 3iji n ASP 218 N 0.98 3.38 -4.77 8.08 5.75 -1.26 -4.41 116.55 124.30 3iji n ASP 218 Ca -0.16 -2.63 -0.35 0.00 -0.01 0.00 0.00 54.79 51.63 3iji n ASP 218 Cb 0.57 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 3iji n ASP 218 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3iji s LEU 219 N -2.13 3.70 0.66 -2.12 1.43 -1.26 -4.99 118.68 113.97 3iji s LEU 219 Ca 0.33 2.21 -0.16 0.00 -1.03 0.00 0.00 54.13 55.49 3iji s LEU 219 Cb 0.25 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.88 3iji s LEU 219 CO 0.10 -1.34 1.13 -2.16 0.23 0.00 0.00 176.35 174.32 3iji s PRO 220 N -3.35 2.76 -0.02 1.29 0.04 -1.26 -4.85 135.00 129.60 3iji s PRO 220 Ca 0.73 1.49 0.05 0.00 0.04 0.00 0.00 61.00 63.32 3iji s PRO 220 Cb -0.25 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3iji s PRO 220 CO 0.29 -1.30 -0.17 0.42 0.04 0.00 0.00 177.00 176.28 3iji s ILE 221 N -2.19 1.40 -0.12 0.56 1.01 -1.13 -1.74 121.20 119.00 3iji s ILE 221 Ca 0.69 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3iji s ILE 221 Cb -0.23 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3iji s ILE 221 CO 0.40 0.40 -0.03 0.00 0.00 0.00 0.00 174.94 175.71 3iji s ALA 222 N -0.25 3.07 0.04 9.38 0.00 0.84 -0.60 121.76 134.24 3iji s ALA 222 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.24 3iji s ALA 222 Cb -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 3iji s ALA 222 CO 0.00 0.36 -0.20 0.14 0.00 0.00 0.00 175.76 176.06 3iji s VAL 223 N -0.13 2.61 -0.20 0.00 -7.23 -0.68 -1.50 120.40 113.27 3iji s VAL 223 Ca 0.03 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3iji s VAL 223 Cb -0.13 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.78 3iji s VAL 223 CO 0.02 0.34 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.47 3iji s ASP 224 N -1.41 3.37 0.16 4.85 -1.08 -0.76 -0.79 116.67 121.01 3iji s ASP 224 Ca 0.14 -0.92 0.25 0.00 -0.52 0.00 0.00 52.55 51.49 3iji s ASP 224 Cb -0.10 -1.08 0.51 0.00 -1.46 0.00 0.00 42.92 40.78 3iji s ASP 224 CO 0.04 -0.20 1.49 0.00 0.52 0.00 0.00 175.17 177.03 3iji h ALA 225 N 8.03 0.74 -6.73 3.66 0.00 -1.52 0.04 119.26 123.48 3iji h ALA 225 Ca -0.22 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 3iji h ALA 225 Cb 1.09 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3iji h ALA 225 CO 0.42 0.00 -0.99 -1.71 0.00 0.00 0.00 179.25 176.97 3iji n ASN 226 N -2.20 -4.65 -1.21 0.00 2.85 -1.10 -0.68 115.26 108.27 3iji n ASN 226 Ca 0.04 -1.13 -0.15 0.00 -0.11 0.00 0.00 54.58 53.23 3iji n ASN 226 Cb 0.44 -2.05 -0.06 0.00 1.24 0.00 0.00 39.78 39.34 3iji n ASN 226 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3iji n GLN 227 N -4.15 -1.56 0.18 1.20 6.02 -0.09 -4.88 117.38 114.11 3iji n GLN 227 Ca -0.16 1.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.87 3iji n GLN 227 Cb 0.60 -5.37 0.32 0.00 1.02 0.00 0.00 30.24 26.82 3iji n GLN 227 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3iji h GLY 228 N 0.00 0.00 -7.46 1.08 0.00 -0.96 -3.32 103.07 92.41 3iji h GLY 228 Ca -0.31 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.30 3iji h GLY 228 CO 0.45 0.00 -0.41 -0.98 0.00 0.00 0.00 176.54 175.60 3iji s TRP 229 N -3.69 3.24 -0.23 5.60 0.51 -0.68 -4.90 118.94 118.80 3iji s TRP 229 Ca -0.01 -0.67 0.18 0.00 -2.12 0.00 0.00 56.10 53.49 3iji s TRP 229 Cb 0.12 -2.71 0.08 0.00 -0.81 0.00 0.00 33.47 30.15 3iji s TRP 229 CO 0.70 -0.63 1.31 0.87 -0.51 0.00 0.00 176.95 178.69 3iji h LYS 230 N 8.65 0.00 -5.33 4.98 6.56 -1.84 -3.37 116.57 126.21 3iji h LYS 230 Ca -0.27 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.70 3iji h LYS 230 Cb 1.12 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.65 3iji h LYS 230 CO 0.76 0.28 -0.02 0.34 -2.06 0.00 0.00 179.45 178.75 3iji s ASP 231 N -6.13 6.41 0.18 0.86 2.15 -1.26 -4.97 116.67 113.90 3iji s ASP 231 Ca 0.03 0.42 -0.13 0.00 0.43 0.00 0.00 52.55 53.30 3iji s ASP 231 Cb 0.07 -2.28 0.14 0.00 -0.30 0.00 0.00 42.92 40.55 3iji s ASP 231 CO 0.75 -0.32 1.77 -0.09 -0.17 0.00 0.00 175.17 177.10 3iji h ARG 232 N 8.10 0.40 -0.59 4.34 2.43 -1.95 -1.18 114.38 125.94 3iji h ARG 232 Ca -0.29 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 3iji h ARG 232 Cb 1.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3iji h ARG 232 CO 0.72 0.27 0.04 0.37 -1.51 0.00 0.00 179.97 179.86 3iji h GLN 233 N 0.42 1.01 -0.32 0.20 5.75 -1.98 -1.99 115.11 118.20 3iji h GLN 233 Ca 0.22 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3iji h GLN 233 Cb 0.18 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3iji h GLN 233 CO -0.19 0.98 0.21 -0.92 -2.65 0.00 0.00 178.83 176.26 3iji h TYR 234 N 0.91 0.41 -0.12 3.99 3.20 -1.90 0.11 116.97 123.56 3iji h TYR 234 Ca 0.17 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3iji h TYR 234 Cb 0.50 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3iji h TYR 234 CO 0.04 0.27 -0.12 0.00 -1.64 0.00 0.00 178.16 176.71 3iji h ALA 235 N 1.10 -0.04 -0.34 1.82 0.00 -1.01 0.33 119.26 121.14 3iji h ALA 235 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3iji h ALA 235 Cb -0.03 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iji h ALA 235 CO -0.02 -0.58 0.12 1.25 0.00 0.00 0.00 179.25 180.02 3iji h LEU 236 N -0.15 0.47 -1.02 0.00 5.85 -1.10 -0.19 115.31 119.18 3iji h LEU 236 Ca 0.09 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3iji h LEU 236 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3iji h LEU 236 CO -0.21 0.53 0.57 0.44 -0.34 0.00 0.00 178.44 179.42 3iji h ASP 237 N 0.39 1.09 -0.45 1.25 3.32 -0.46 -1.64 116.42 119.93 3iji h ASP 237 Ca 0.11 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3iji h ASP 237 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3iji h ASP 237 CO -0.01 0.83 -0.14 -0.03 -1.72 0.00 0.00 179.24 178.17 3iji h MET 238 N 1.26 0.93 -0.63 3.56 4.05 -0.03 -2.11 114.93 121.97 3iji h MET 238 Ca 0.33 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3iji h MET 238 Cb -0.07 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 3iji h MET 238 CO -0.06 1.00 0.36 0.82 0.23 0.00 0.00 176.91 179.26 3iji h ILE 239 N 0.82 1.19 -0.73 1.77 2.04 -0.36 0.23 117.51 122.48 3iji h ILE 239 Ca 0.13 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3iji h ILE 239 Cb 0.68 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3iji h ILE 239 CO 0.05 0.21 0.22 0.45 0.00 0.00 0.00 178.15 179.08 3iji h HIS 240 N 0.85 1.18 -0.49 1.37 3.86 -1.18 -0.04 115.15 120.70 3iji h HIS 240 Ca 0.22 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3iji h HIS 240 Cb 0.02 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 3iji h HIS 240 CO -0.01 0.93 -0.01 2.35 0.86 0.00 0.00 177.93 182.05 3iji h TRP 241 N 1.09 0.96 -0.67 2.45 7.01 -0.80 -2.33 115.95 123.64 3iji h TRP 241 Ca 0.24 -0.17 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 3iji h TRP 241 Cb 0.32 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 3iji h TRP 241 CO 0.03 0.90 0.20 -0.07 -2.79 0.00 0.00 178.44 176.71 3iji h LEU 242 N 0.73 0.99 -0.88 0.65 3.38 -0.28 -1.90 115.31 118.00 3iji h LEU 242 Ca 0.14 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3iji h LEU 242 Cb 0.53 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3iji h LEU 242 CO 0.03 0.94 0.55 0.50 0.09 0.00 0.00 178.44 180.55 3iji h LYS 243 N 0.98 0.98 0.00 1.13 1.63 -0.81 0.10 116.57 120.58 3iji h LYS 243 Ca 0.22 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3iji h LYS 243 Cb 0.31 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3iji h LYS 243 CO -0.00 0.65 -0.31 1.49 -3.45 0.00 0.00 179.45 177.82 3iji h GLU 244 N 1.01 0.00 -0.33 1.90 4.81 -0.95 -2.45 114.58 118.57 3iji h GLU 244 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3iji h GLU 244 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3iji h GLU 244 CO -0.17 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.06 3iji n LYS 245 N -4.03 1.74 -0.58 1.92 4.76 -0.09 -4.90 118.16 116.97 3iji n LYS 245 Ca -0.02 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 3iji n LYS 245 Cb 0.37 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3iji n LYS 245 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iji n GLY 246 N 0.93 0.68 3.76 0.72 0.00 -0.92 -4.93 105.19 105.42 3iji n GLY 246 Ca 0.10 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3iji n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iji s ILE 247 N -2.00 3.94 -0.72 -0.61 1.09 -0.52 -2.81 121.20 119.56 3iji s ILE 247 Ca 0.00 1.87 0.07 0.00 -1.10 0.00 0.00 60.65 61.49 3iji s ILE 247 Cb 0.00 -4.16 0.01 0.00 -1.06 0.00 0.00 42.46 37.26 3iji s ILE 247 CO 0.00 0.38 0.58 1.33 -0.10 0.00 0.00 174.94 177.13 3iji n VAL 248 N 1.19 0.00 -3.58 2.92 0.24 0.23 -4.44 118.33 114.89 3iji n VAL 248 Ca -0.01 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 3iji n VAL 248 Cb 0.47 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 3iji n VAL 248 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3iji s MET 249 N -0.97 0.74 -0.02 7.34 -2.45 -1.25 -4.43 119.30 118.25 3iji s MET 249 Ca 0.07 0.37 0.04 0.00 -1.25 0.00 0.00 55.69 54.92 3iji s MET 249 Cb 0.06 0.35 -0.01 0.00 1.25 0.00 0.00 34.83 36.48 3iji s MET 249 CO 0.16 -0.19 -0.15 -1.50 1.05 0.00 0.00 175.02 174.38 3iji s ILE 250 N -0.70 1.21 -0.07 10.11 2.07 -0.77 -1.69 121.20 131.37 3iji s ILE 250 Ca -0.03 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 3iji s ILE 250 Cb -0.02 -1.02 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 3iji s ILE 250 CO 0.03 0.35 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.50 3iji s GLU 251 N -0.26 2.71 -0.69 3.50 2.12 0.03 -0.91 118.70 125.20 3iji s GLU 251 Ca 0.04 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 3iji s GLU 251 Cb -0.07 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 32.03 3iji s GLU 251 CO -0.00 0.41 0.45 0.94 -0.54 0.00 0.00 175.26 176.51 3iji n GLN 252 N 2.91 -0.89 -0.11 4.30 -0.06 0.28 -1.82 117.38 121.99 3iji n GLN 252 Ca -0.17 0.32 0.01 0.00 -2.00 0.00 0.00 57.00 55.16 3iji n GLN 252 Cb 0.52 -1.55 0.31 0.00 -4.06 0.00 0.00 30.24 25.46 3iji n GLN 252 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3iji h PRO 253 N -0.29 0.77 -5.35 3.69 0.13 -1.89 -0.15 132.00 128.90 3iji h PRO 253 Ca -0.48 -0.07 -0.52 0.00 -0.87 0.00 0.00 66.00 64.06 3iji h PRO 253 Cb 1.01 -0.16 -0.14 0.00 0.13 0.00 0.00 31.00 31.84 3iji h PRO 253 CO 0.30 0.55 -0.61 -1.64 -0.23 0.00 0.00 178.00 176.38 3iji s MET 254 N -5.57 1.73 0.48 0.86 -1.94 -1.26 -1.68 119.30 111.92 3iji s MET 254 Ca -0.10 -1.96 -0.24 0.00 -1.71 0.00 0.00 55.69 51.68 3iji s MET 254 Cb 0.17 -1.09 -0.07 0.00 2.01 0.00 0.00 34.83 35.85 3iji s MET 254 CO 0.76 -0.14 1.36 -2.30 -0.01 0.00 0.00 175.02 174.69 3iji n PRO 255 N -0.76 1.95 0.31 2.03 -0.02 -1.25 -4.16 135.00 133.10 3iji n PRO 255 Ca -0.03 0.70 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 3iji n PRO 255 Cb 0.67 -2.54 1.02 0.00 -0.02 0.00 0.00 33.50 32.62 3iji n PRO 255 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3iji h LYS 256 N 1.89 0.00 0.00 -0.52 2.10 -1.93 -1.30 116.57 116.82 3iji h LYS 256 Ca -0.50 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 3iji h LYS 256 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3iji h LYS 256 CO 0.59 0.00 -0.15 0.93 -2.00 0.00 0.00 179.45 178.82 3iji h GLU 257 N 0.00 0.00 -2.16 0.07 3.07 -1.98 -3.26 114.58 110.31 3iji h GLU 257 Ca 0.00 0.00 -0.79 0.00 -0.50 0.00 0.00 59.36 58.07 3iji h GLU 257 Cb 0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.64 3iji h GLU 257 CO -0.00 0.15 0.98 1.04 -1.40 0.00 0.00 179.01 179.78 3iji n GLN 258 N -3.35 4.53 -0.11 2.33 6.02 -0.49 -4.77 117.38 121.54 3iji n GLN 258 Ca -0.00 -4.31 0.00 0.00 -0.01 0.00 0.00 57.00 52.68 3iji n GLN 258 Cb 0.36 -2.40 0.29 0.00 1.02 0.00 0.00 30.24 29.51 3iji n GLN 258 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3iji h LEU 259 N 3.78 0.69 -0.65 1.08 5.85 -1.76 -1.90 115.31 122.40 3iji h LEU 259 Ca 0.54 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 59.11 3iji h LEU 259 Cb 0.24 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3iji h LEU 259 CO 1.25 0.58 0.09 0.44 -0.34 0.00 0.00 178.44 180.45 3iji h ASP 260 N 0.77 1.06 -0.62 1.25 3.32 -1.93 -1.34 116.42 118.92 3iji h ASP 260 Ca 0.19 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3iji h ASP 260 Cb 0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3iji h ASP 260 CO -0.03 1.06 0.08 0.44 -1.72 0.00 0.00 179.24 179.07 3iji h ASP 261 N 1.01 1.02 -0.56 6.45 3.32 -1.84 -1.96 116.42 123.86 3iji h ASP 261 Ca 0.20 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3iji h ASP 261 Cb 0.47 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3iji h ASP 261 CO 0.02 1.03 0.26 0.40 -1.72 0.00 0.00 179.24 179.22 3iji h ILE 262 N 0.99 1.21 -0.79 0.35 2.04 -0.99 -1.27 117.51 119.05 3iji h ILE 262 Ca 0.19 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3iji h ILE 262 Cb 0.46 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3iji h ILE 262 CO 0.02 0.24 0.36 0.00 0.00 0.00 0.00 178.15 178.77 3iji h ALA 263 N 1.10 1.15 -0.67 1.87 0.00 -1.06 0.47 119.26 122.11 3iji h ALA 263 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iji h ALA 263 Cb 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3iji h ALA 263 CO -0.02 0.64 0.44 2.35 0.00 0.00 0.00 179.25 182.65 3iji h TRP 264 N 1.13 0.83 0.05 0.00 7.01 -0.82 -1.37 115.95 122.79 3iji h TRP 264 Ca 0.27 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 3iji h TRP 264 Cb 0.14 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 3iji h TRP 264 CO 0.02 0.50 -0.03 0.28 -2.79 0.00 0.00 178.44 176.42 3iji h VAL 265 N 0.88 1.22 -0.97 2.65 2.07 -0.71 -3.26 116.25 118.13 3iji h VAL 265 Ca 0.26 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.91 3iji h VAL 265 Cb -0.06 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3iji h VAL 265 CO -0.07 0.24 0.62 0.74 0.02 0.00 0.00 177.57 179.12 3iji h THR 266 N -0.50 1.00 0.00 2.57 2.02 -0.76 -0.61 112.91 116.62 3iji h THR 266 Ca -0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3iji h THR 266 Cb 0.45 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3iji h THR 266 CO 0.01 0.19 0.00 1.56 0.37 0.00 0.00 175.52 177.65 3iji h GLN 267 N 1.03 0.00 -0.07 6.66 4.20 -1.29 -2.32 115.11 123.31 3iji h GLN 267 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3iji h GLN 267 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3iji h GLN 267 CO -0.20 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.00 3iji n GLN 268 N -3.05 1.13 -2.85 1.46 6.02 -0.42 -5.04 117.38 114.62 3iji n GLN 268 Ca -0.02 -1.20 -0.41 0.00 -0.01 0.00 0.00 57.00 55.37 3iji n GLN 268 Cb 0.14 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 3iji n GLN 268 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3iji s SER 269 N -0.66 7.30 0.00 1.08 0.15 -0.37 -4.94 113.70 116.27 3iji s SER 269 Ca 0.07 1.56 0.29 0.00 0.70 0.00 0.00 55.95 58.58 3iji s SER 269 Cb 0.04 -2.52 1.33 0.00 -1.71 0.00 0.00 66.02 63.16 3iji s SER 269 CO 0.06 -0.09 1.94 -0.81 1.20 0.00 0.00 173.24 175.53 3iji n PRO 270 N 3.18 0.43 -4.49 5.44 -0.04 -1.26 -4.80 135.00 133.46 3iji n PRO 270 Ca 0.01 -0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 3iji n PRO 270 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 3iji n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iji s LEU 271 N -2.62 2.47 0.27 1.53 1.43 -1.26 -5.09 118.68 115.42 3iji s LEU 271 Ca 0.26 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 3iji s LEU 271 Cb 0.20 -1.39 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 3iji s LEU 271 CO 0.49 0.21 1.26 -2.16 0.23 0.00 0.00 176.35 176.38 3iji s PRO 272 N -1.85 4.43 -0.22 1.29 0.04 -1.26 -4.85 135.00 132.58 3iji s PRO 272 Ca 0.15 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 3iji s PRO 272 Cb -0.10 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 3iji s PRO 272 CO 0.07 -0.12 -0.06 0.08 0.04 0.00 0.00 177.00 177.01 3iji s VAL 273 N -0.72 3.24 -0.08 -0.36 1.01 -1.26 -1.85 120.40 120.38 3iji s VAL 273 Ca 0.51 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3iji s VAL 273 Cb -0.37 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3iji s VAL 273 CO 0.45 0.42 0.07 -0.36 0.00 0.00 0.00 175.10 175.68 3iji s PHE 274 N 1.46 3.34 0.01 5.22 0.08 -0.08 -0.29 117.98 127.70 3iji s PHE 274 Ca 0.06 0.31 -0.20 0.00 0.12 0.00 0.00 56.93 57.21 3iji s PHE 274 Cb -0.14 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3iji s PHE 274 CO -0.04 0.58 0.58 0.00 -0.10 0.00 0.00 175.22 176.24 3iji s ALA 275 N -1.01 3.51 0.00 5.36 0.00 -0.15 -0.55 121.76 128.92 3iji s ALA 275 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3iji s ALA 275 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3iji s ALA 275 CO 0.06 0.21 0.00 -3.47 0.00 0.00 0.00 175.76 172.56 3iji n ASP 276 N 2.55 0.00 0.33 0.00 -0.08 -1.26 -0.36 116.55 117.73 3iji n ASP 276 Ca -0.08 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.42 3iji n ASP 276 Cb 0.51 0.00 1.16 0.00 2.34 0.00 0.00 41.12 45.13 3iji n ASP 276 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3iji h GLU 277 N 0.00 0.00 0.00 -0.67 3.07 -1.95 -1.49 114.58 113.54 3iji h GLU 277 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iji h GLU 277 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3iji h GLU 277 CO 0.00 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.04 3iji n SER 278 N -3.21 0.00 -3.66 1.42 7.64 -1.26 -4.82 113.62 109.74 3iji n SER 278 Ca -0.03 0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 3iji n SER 278 Cb 0.09 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 3iji n SER 278 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3iji s LEU 279 N -2.58 0.46 0.00 -3.43 2.34 -0.56 -5.00 118.68 109.91 3iji s LEU 279 Ca 0.19 -0.19 0.00 0.00 0.06 0.00 0.00 54.13 54.18 3iji s LEU 279 Cb 0.13 1.75 0.00 0.00 -0.56 0.00 0.00 46.19 47.51 3iji s LEU 279 CO 0.30 -0.76 0.00 0.00 -1.06 0.00 0.00 176.35 174.83 3iji n GLN 280 N 0.11 0.00 -4.69 1.48 6.02 -1.26 -4.83 117.38 114.21 3iji n GLN 280 Ca -0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 3iji n GLN 280 Cb 0.62 -0.25 -0.07 0.00 1.02 0.00 0.00 30.24 31.56 3iji n GLN 280 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3iji s ARG 281 N -1.96 2.14 0.26 -1.09 0.52 -1.26 -3.38 118.95 114.17 3iji s ARG 281 Ca 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 55.73 52.83 3iji s ARG 281 Cb 0.00 -1.19 0.52 0.00 0.52 0.00 0.00 34.95 34.80 3iji s ARG 281 CO 0.00 -0.44 1.73 1.25 0.02 0.00 0.00 175.30 177.86 3iji h LEU 282 N 1.45 0.33 0.00 2.53 5.85 -1.88 -0.75 115.31 122.85 3iji h LEU 282 Ca -0.41 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3iji h LEU 282 Cb 1.31 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3iji h LEU 282 CO 0.67 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.48 3iji n GLY 283 N -1.33 -0.70 0.24 3.75 0.00 -1.26 -2.54 105.19 103.35 3iji n GLY 283 Ca 0.16 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3iji n GLY 283 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iji n ASP 284 N -1.24 1.46 0.09 1.61 8.00 -0.29 -4.68 116.55 121.51 3iji n ASP 284 Ca 0.07 -1.23 -0.12 0.00 0.71 0.00 0.00 54.79 54.22 3iji n ASP 284 Cb 0.10 0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 3iji n ASP 284 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3iji h VAL 285 N 1.20 0.85 -1.00 2.53 2.07 -1.55 -3.35 116.25 117.00 3iji h VAL 285 Ca 0.00 -0.90 0.20 0.00 0.82 0.00 0.00 66.70 66.82 3iji h VAL 285 Cb 0.60 1.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.59 3iji h VAL 285 CO 0.00 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.39 3iji h ALA 286 N -0.15 1.73 0.00 1.67 0.00 -1.83 -0.88 119.26 119.79 3iji h ALA 286 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iji h ALA 286 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iji h ALA 286 CO 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3iji n ALA 287 N -2.34 1.35 1.01 0.00 0.00 -1.25 -2.27 120.51 117.01 3iji n ALA 287 Ca 0.24 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.91 3iji n ALA 287 Cb 0.61 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.89 3iji n ALA 287 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iji n LEU 288 N -2.12 0.72 -4.72 0.00 4.77 -0.34 -4.87 117.00 110.45 3iji n LEU 288 Ca 0.01 -0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 3iji n LEU 288 Cb 0.12 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3iji n LEU 288 CO 0.13 0.17 1.32 1.17 -1.33 0.00 0.00 177.39 178.85 3iji n LYS 289 N -1.41 2.67 0.00 3.23 4.81 -0.96 -1.29 118.16 125.22 3iji n LYS 289 Ca 0.06 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 3iji n LYS 289 Cb 0.34 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.61 3iji n LYS 289 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iji n GLY 290 N 3.46 1.53 0.03 3.14 0.00 -1.26 -4.79 105.19 107.29 3iji n GLY 290 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 3iji n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji n ALA 291 N -0.99 1.96 -2.60 4.61 0.00 -0.41 -4.82 120.51 118.26 3iji n ALA 291 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.83 3iji n ALA 291 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.29 3iji n ALA 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3iji s PHE 292 N -2.33 1.20 0.12 0.00 0.08 -0.96 -3.86 117.98 112.24 3iji s PHE 292 Ca -0.04 -0.53 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3iji s PHE 292 Cb 0.03 -0.66 -0.13 0.00 -0.57 0.00 0.00 43.02 41.70 3iji s PHE 292 CO 0.35 0.06 1.28 1.15 -0.10 0.00 0.00 175.22 177.95 3iji h THR 293 N 3.92 1.47 -3.07 0.64 2.02 -0.99 -3.45 112.91 113.45 3iji h THR 293 Ca -0.39 -2.72 -0.04 0.00 0.77 0.00 0.00 66.41 64.03 3iji h THR 293 Cb 1.19 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 70.21 3iji h THR 293 CO 0.46 0.80 0.25 -0.83 0.37 0.00 0.00 175.52 176.57 3iji s GLY 294 N -4.53 0.46 0.17 2.16 0.00 -1.01 -1.05 107.32 103.52 3iji s GLY 294 Ca -0.04 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 43.97 3iji s GLY 294 CO 0.86 -0.36 -0.24 -0.26 0.00 0.00 0.00 173.10 173.10 3iji s ILE 295 N -2.29 2.22 -0.17 0.90 -4.36 -0.27 -0.98 121.20 116.24 3iji s ILE 295 Ca 0.17 -1.92 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 3iji s ILE 295 Cb -0.05 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 3iji s ILE 295 CO 0.12 -0.10 -0.01 0.21 0.24 0.00 0.00 174.94 175.40 3iji s ASN 296 N -2.49 4.90 -0.12 4.36 3.84 0.51 -0.87 114.94 125.07 3iji s ASN 296 Ca 0.18 -0.13 -0.02 0.00 0.21 0.00 0.00 52.86 53.09 3iji s ASN 296 Cb -0.08 -1.82 -0.03 0.00 -0.55 0.00 0.00 41.25 38.77 3iji s ASN 296 CO 0.08 0.13 -0.05 -0.63 -2.79 0.00 0.00 177.10 173.85 3iji s ILE 297 N 0.60 3.85 -0.05 -5.21 1.01 -0.43 -4.78 121.20 116.19 3iji s ILE 297 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3iji s ILE 297 Cb -0.14 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3iji s ILE 297 CO 0.02 0.54 -0.04 -0.54 0.00 0.00 0.00 174.94 174.92 3iji s LYS 298 N -0.19 0.83 0.26 2.79 1.02 -1.26 -1.37 119.74 121.82 3iji s LYS 298 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 3iji s LYS 298 Cb -0.13 -0.86 0.48 0.00 -0.52 0.00 0.00 37.83 36.81 3iji s LYS 298 CO 0.02 -0.10 1.82 -0.07 -0.92 0.00 0.00 175.35 176.11 3iji h LEU 299 N 7.26 0.77 -1.48 3.17 3.38 -1.89 -0.83 115.31 125.69 3iji h LEU 299 Ca -0.37 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3iji h LEU 299 Cb 1.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3iji h LEU 299 CO 0.46 0.42 0.00 0.24 0.09 0.00 0.00 178.44 179.64 3iji h MET 300 N 0.87 0.00 0.01 1.13 2.86 -1.93 -2.52 114.93 115.34 3iji h MET 300 Ca 0.45 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.75 3iji h MET 300 Cb 0.45 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 3iji h MET 300 CO -0.27 0.00 -2.09 1.63 1.06 0.00 0.00 176.91 177.24 3iji n LYS 301 N -2.73 0.67 -0.01 1.72 5.02 -0.41 -2.55 118.16 119.87 3iji n LYS 301 Ca 0.00 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3iji n LYS 301 Cb 0.21 -1.64 0.10 0.00 -0.02 0.00 0.00 35.03 33.68 3iji n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iji n THR 303 N 1.32 0.00 0.00 0.00 -2.24 -1.01 -4.71 114.28 107.64 3iji n THR 303 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3iji n THR 303 Cb 0.59 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3iji n THR 303 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iji n GLY 304 N -2.71 -0.11 0.28 3.38 0.00 -0.98 -3.61 105.19 101.44 3iji n GLY 304 Ca 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 3iji n GLY 304 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3iji h MET 305 N 7.41 0.96 -0.25 1.61 2.86 -1.88 -1.39 114.93 124.24 3iji h MET 305 Ca 0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3iji h MET 305 Cb 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3iji h MET 305 CO 0.00 0.75 0.11 -0.09 1.06 0.00 0.00 176.91 178.74 3iji h ARG 306 N 0.93 0.37 -0.17 1.72 2.43 -1.92 -0.76 114.38 116.98 3iji h ARG 306 Ca 0.23 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3iji h ARG 306 Cb 0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3iji h ARG 306 CO -0.03 0.39 -0.48 1.49 -1.51 0.00 0.00 179.97 179.83 3iji h GLU 307 N 0.26 0.46 -0.39 0.20 4.81 -1.84 -2.67 114.58 115.40 3iji h GLU 307 Ca 0.08 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3iji h GLU 307 Cb 0.16 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3iji h GLU 307 CO -0.01 0.84 0.21 0.00 -0.73 0.00 0.00 179.01 179.32 3iji h ALA 308 N 1.12 0.49 -0.28 2.92 0.00 -0.92 0.34 119.26 122.92 3iji h ALA 308 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3iji h ALA 308 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3iji h ALA 308 CO 0.09 -0.14 -0.11 2.35 0.00 0.00 0.00 179.25 181.44 3iji h TRP 309 N 0.43 0.50 -0.23 0.00 -0.00 -1.06 -1.25 115.95 114.34 3iji h TRP 309 Ca 0.16 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.89 58.88 3iji h TRP 309 Cb 0.05 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.06 3iji h TRP 309 CO -0.09 0.57 -0.30 0.87 -0.00 0.00 0.00 178.44 179.49 3iji h LYS 310 N 0.44 0.46 -0.29 2.65 1.57 -1.01 -1.91 116.57 118.48 3iji h LYS 310 Ca 0.08 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3iji h LYS 310 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3iji h LYS 310 CO 0.03 0.71 -0.29 0.52 -0.57 0.00 0.00 179.45 179.85 3iji h MET 311 N 0.40 0.59 -0.21 3.15 2.86 0.03 0.16 114.93 121.90 3iji h MET 311 Ca 0.05 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3iji h MET 311 Cb 0.73 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3iji h MET 311 CO 0.06 0.81 0.04 0.28 1.06 0.00 0.00 176.91 179.16 3iji h VAL 312 N 0.51 1.22 -0.46 -2.22 2.07 -1.00 -0.10 116.25 116.27 3iji h VAL 312 Ca 0.07 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3iji h VAL 312 Cb 0.76 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3iji h VAL 312 CO 0.06 0.22 0.29 0.74 0.02 0.00 0.00 177.57 178.90 3iji h THR 313 N 0.16 1.13 -0.05 2.57 2.02 -1.14 -1.69 112.91 115.91 3iji h THR 313 Ca 0.07 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3iji h THR 313 Cb 0.30 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3iji h THR 313 CO 0.00 0.13 0.01 0.25 0.37 0.00 0.00 175.52 176.28 3iji h LEU 314 N 0.61 0.08 -0.12 2.58 5.85 -0.84 -0.61 115.31 122.86 3iji h LEU 314 Ca 0.17 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3iji h LEU 314 Cb -0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3iji h LEU 314 CO -0.03 0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 178.29 3iji h ALA 315 N 0.78 0.04 -0.39 1.25 0.00 -0.93 -1.33 119.26 118.69 3iji h ALA 315 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iji h ALA 315 Cb 0.25 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iji h ALA 315 CO 0.00 -0.52 0.23 0.45 0.00 0.00 0.00 179.25 179.40 3iji h HIS 316 N -0.06 0.52 -0.09 0.00 3.86 -1.28 0.77 115.15 118.86 3iji h HIS 316 Ca 0.07 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3iji h HIS 316 Cb 0.17 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3iji h HIS 316 CO -0.20 0.38 0.08 0.00 0.86 0.00 0.00 177.93 179.05 3iji h ALA 317 N 1.09 1.85 -0.46 2.45 0.00 -0.84 0.15 119.26 123.49 3iji h ALA 317 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iji h ALA 317 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iji h ALA 317 CO -0.02 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3iji n LEU 318 N -4.14 2.76 -0.25 0.00 4.77 -0.52 -4.94 117.00 114.68 3iji n LEU 318 Ca -0.01 -1.33 -0.03 0.00 -0.03 0.00 0.00 56.01 54.61 3iji n LEU 318 Cb 0.18 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3iji n LEU 318 CO 0.31 0.66 -0.03 0.61 -1.33 0.00 0.00 177.39 177.61 3iji n GLY 319 N 1.34 0.64 3.89 -0.72 0.00 0.04 -5.01 105.19 105.36 3iji n GLY 319 Ca 0.18 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3iji n GLY 319 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iji s MET 320 N -1.93 3.25 0.64 1.61 -1.94 0.17 -4.99 119.30 116.11 3iji s MET 320 Ca 0.00 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.31 3iji s MET 320 Cb 0.00 -2.88 0.05 0.00 2.01 0.00 0.00 34.83 34.00 3iji s MET 320 CO 0.00 0.54 0.92 1.03 -0.01 0.00 0.00 175.02 177.50 3iji s ARG 321 N -2.93 2.40 0.01 2.03 1.81 -0.22 -3.65 118.95 118.41 3iji s ARG 321 Ca 0.33 -0.40 0.02 0.00 -1.72 0.00 0.00 55.73 53.96 3iji s ARG 321 Cb -0.11 -2.29 -0.01 0.00 -0.45 0.00 0.00 34.95 32.08 3iji s ARG 321 CO 0.26 -0.99 -0.08 0.08 -0.68 0.00 0.00 175.30 173.89 3iji s VAL 322 N -3.05 0.59 0.10 3.52 1.01 -1.26 -1.11 120.40 120.19 3iji s VAL 322 Ca 0.58 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3iji s VAL 322 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3iji s VAL 322 CO 0.43 0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 3iji s MET 323 N -0.56 0.85 -0.01 2.72 0.23 -0.05 -0.47 119.30 122.01 3iji s MET 323 Ca -0.00 -1.34 0.05 0.00 -1.03 0.00 0.00 55.69 53.37 3iji s MET 323 Cb -0.05 -0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.00 3iji s MET 323 CO 0.00 -0.01 -0.17 0.54 -2.03 0.00 0.00 175.02 173.35 3iji s VAL 324 N -3.58 1.34 0.00 5.16 0.11 -0.73 -1.31 120.40 121.38 3iji s VAL 324 Ca 0.12 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3iji s VAL 324 Cb 0.05 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3iji s VAL 324 CO -0.04 0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 3iji n GLY 325 N 2.62 4.16 3.82 6.54 0.00 -0.47 -0.67 105.19 121.18 3iji n GLY 325 Ca -0.15 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 3iji n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji s MET 327 N -3.78 2.37 -0.01 0.00 -1.94 -1.26 -4.95 119.30 109.71 3iji s MET 327 Ca 0.11 -1.76 -0.30 0.00 -1.71 0.00 0.00 55.69 52.03 3iji s MET 327 Cb -0.05 -2.34 -0.07 0.00 2.01 0.00 0.00 34.83 34.39 3iji s MET 327 CO 0.05 -0.54 1.69 0.95 -0.01 0.00 0.00 175.02 177.15 3iji s THR 328 N -2.64 3.40 0.13 2.05 -4.23 -1.26 -4.47 115.64 108.62 3iji s THR 328 Ca 0.46 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 3iji s THR 328 Cb -0.04 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 3iji s THR 328 CO 0.28 -0.04 0.22 -1.61 -0.54 0.00 0.00 174.62 172.93 3iji s GLU 329 N 3.75 1.02 0.93 3.99 2.02 -1.23 -4.88 118.70 124.30 3iji s GLU 329 Ca 0.75 -1.14 -0.15 0.00 0.02 0.00 0.00 54.97 54.46 3iji s GLU 329 Cb -0.36 0.35 0.17 0.00 0.10 0.00 0.00 34.13 34.39 3iji s GLU 329 CO 0.32 -0.35 1.29 0.95 0.02 0.00 0.00 175.26 177.48 3iji s THR 330 N -3.94 1.99 -1.05 3.63 -4.23 -1.26 -2.43 115.64 108.36 3iji s THR 330 Ca 0.14 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 3iji s THR 330 Cb 0.04 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.98 3iji s THR 330 CO -0.04 0.00 1.28 -1.20 -0.54 0.00 0.00 174.62 174.13 3iji n SER 331 N -3.68 0.00 0.20 3.99 7.64 -1.26 -2.91 113.62 117.60 3iji n SER 331 Ca 0.13 0.46 -0.08 0.00 1.01 0.00 0.00 58.87 60.40 3iji n SER 331 Cb 0.60 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 3iji n SER 331 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iji h ALA 333 N -1.68 1.33 -0.33 0.00 0.00 -1.90 -1.92 119.26 114.77 3iji h ALA 333 Ca -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3iji h ALA 333 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iji h ALA 333 CO 0.09 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.69 3iji h ILE 334 N 0.55 1.23 -0.38 0.00 1.08 -1.58 -1.87 117.51 116.55 3iji h ILE 334 Ca 0.12 -0.78 -0.09 0.00 -0.39 0.00 0.00 64.86 63.72 3iji h ILE 334 Cb 0.34 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3iji h ILE 334 CO 0.01 0.26 -0.12 0.28 -0.69 0.00 0.00 178.15 177.89 3iji h SER 335 N 0.37 0.65 -0.28 1.72 0.02 -0.99 -1.09 113.55 113.95 3iji h SER 335 Ca 0.10 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3iji h SER 335 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3iji h SER 335 CO 0.00 0.80 0.18 0.00 -1.14 0.00 0.00 176.83 176.67 3iji h ALA 336 N 1.26 0.35 -0.24 3.77 0.00 -1.14 -2.36 119.26 120.90 3iji h ALA 336 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iji h ALA 336 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3iji h ALA 336 CO 0.04 -0.17 -0.30 0.00 0.00 0.00 0.00 179.25 178.82 3iji h ALA 337 N 1.08 1.04 0.00 0.00 0.00 -1.15 -2.64 119.26 117.59 3iji h ALA 337 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3iji h ALA 337 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3iji h ALA 337 CO -0.02 0.58 -0.03 0.77 0.00 0.00 0.00 179.25 180.56 3iji h SER 338 N 0.42 0.00 -0.05 0.00 0.02 -0.70 -2.75 113.55 110.49 3iji h SER 338 Ca 0.05 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3iji h SER 338 Cb 0.74 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 3iji h SER 338 CO 0.06 0.03 0.05 1.56 -1.14 0.00 0.00 176.83 177.39 3iji h GLN 339 N 0.00 0.00 -0.35 3.45 1.08 -1.07 -1.39 115.11 116.82 3iji h GLN 339 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3iji h GLN 339 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3iji h GLN 339 CO 0.00 0.00 0.00 1.97 -0.95 0.00 0.00 178.83 179.85 3iji n PHE 340 N -3.99 0.51 0.30 2.96 1.16 -1.04 -3.74 117.46 113.62 3iji n PHE 340 Ca -0.02 -0.52 0.17 0.00 -1.87 0.00 0.00 57.45 55.21 3iji n PHE 340 Cb 0.15 -0.04 0.94 0.00 -1.61 0.00 0.00 39.48 38.92 3iji n PHE 340 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3iji h SER 341 N 2.08 0.00 0.23 5.98 4.64 -1.30 -1.89 113.55 123.29 3iji h SER 341 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iji h SER 341 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3iji h SER 341 CO 0.01 0.03 0.00 -2.65 -0.87 0.00 0.00 176.83 173.35 3iji n PRO 342 N -3.51 0.11 0.00 4.77 -0.02 -1.26 -1.71 135.00 133.37 3iji n PRO 342 Ca -0.02 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3iji n PRO 342 Cb 0.14 -1.79 0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3iji n PRO 342 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iji n ALA 343 N -1.68 3.17 -2.89 3.55 0.00 -0.71 -4.76 120.51 117.18 3iji n ALA 343 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 3iji n ALA 343 Cb 0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3iji n ALA 343 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iji s VAL 344 N -2.33 5.17 -0.07 0.00 -7.23 -0.70 -4.83 120.40 110.42 3iji s VAL 344 Ca 0.23 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3iji s VAL 344 Cb 0.19 -3.84 -0.26 0.00 0.56 0.00 0.00 36.38 33.04 3iji s VAL 344 CO 0.48 -0.36 0.57 0.44 -0.31 0.00 0.00 175.10 175.93 3iji h ASP 345 N 1.09 0.30 -4.86 4.85 5.19 -1.09 -3.45 116.42 118.44 3iji h ASP 345 Ca -0.51 -0.59 -0.22 0.00 -0.62 0.00 0.00 57.03 55.09 3iji h ASP 345 Cb 1.23 -0.10 -0.20 0.00 0.18 0.00 0.00 39.33 40.45 3iji h ASP 345 CO 0.61 1.52 -0.71 -0.36 -3.12 0.00 0.00 179.24 177.18 3iji s PHE 346 N -2.58 0.56 -0.09 4.55 0.08 -1.24 -4.96 117.98 114.29 3iji s PHE 346 Ca -0.14 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.23 3iji s PHE 346 Cb 0.07 -0.35 0.04 0.00 -0.57 0.00 0.00 43.02 42.21 3iji s PHE 346 CO 0.81 -0.16 0.21 0.00 -0.10 0.00 0.00 175.22 175.98 3iji s ALA 347 N -2.02 -0.47 -0.64 5.36 0.00 -1.26 -1.77 121.76 120.97 3iji s ALA 347 Ca -0.07 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.74 3iji s ALA 347 Cb -0.06 -0.52 0.16 0.00 0.00 0.00 0.00 23.12 22.70 3iji s ALA 347 CO -0.02 -0.16 0.42 0.34 0.00 0.00 0.00 175.76 176.34 3iji s ASP 348 N 0.98 4.77 -0.54 0.00 2.15 0.15 -1.73 116.67 122.45 3iji s ASP 348 Ca -0.07 -3.43 0.06 0.00 0.43 0.00 0.00 52.55 49.54 3iji s ASP 348 Cb -0.09 -1.68 0.34 0.00 -0.30 0.00 0.00 42.92 41.19 3iji s ASP 348 CO -0.06 -0.18 0.90 0.18 -0.17 0.00 0.00 175.17 175.85 3iji n LEU 349 N 2.58 3.77 -0.11 -1.34 4.77 -1.26 -2.94 117.00 122.46 3iji n LEU 349 Ca 0.13 -5.55 0.03 0.00 -0.03 0.00 0.00 56.01 50.59 3iji n LEU 349 Cb 0.34 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3iji n LEU 349 CO 0.31 2.34 0.53 -0.90 -1.33 0.00 0.00 177.39 178.35 3iji n ASP 350 N -0.13 2.23 -0.32 -1.43 5.75 -1.26 -4.83 116.55 116.56 3iji n ASP 350 Ca 0.30 -2.24 0.14 0.00 -0.01 0.00 0.00 54.79 52.98 3iji n ASP 350 Cb 0.44 -0.12 0.33 0.00 -1.03 0.00 0.00 41.12 40.74 3iji n ASP 350 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3iji h GLY 351 N 0.27 1.70 2.00 6.12 0.00 -1.86 -0.89 103.07 110.41 3iji h GLY 351 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3iji h GLY 351 CO 0.01 -0.23 -0.25 3.45 0.00 0.00 0.00 176.54 179.52 3iji h ASN 352 N 0.52 0.00 1.04 0.19 -1.07 -1.75 -2.70 115.58 111.80 3iji h ASN 352 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.96 3iji h ASN 352 Cb 1.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 3iji h ASN 352 CO -0.48 0.25 0.00 -0.07 0.07 0.00 0.00 177.43 177.20 3iji h LEU 353 N 0.00 0.00 -0.42 6.14 3.38 -1.45 -2.95 115.31 120.01 3iji h LEU 353 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iji h LEU 353 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3iji h LEU 353 CO 0.03 0.00 -0.27 0.18 0.09 0.00 0.00 178.44 178.48 3iji n LEU 354 N -2.61 0.92 -4.60 1.67 4.77 -1.02 -4.91 117.00 111.22 3iji n LEU 354 Ca 0.02 -0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.53 3iji n LEU 354 Cb 0.31 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3iji n LEU 354 CO 0.25 0.17 -0.38 0.27 -1.33 0.00 0.00 177.39 176.37 3iji s ILE 355 N -2.55 3.34 -2.09 -0.08 -4.36 -1.12 -1.29 121.20 113.05 3iji s ILE 355 Ca 0.23 -1.63 0.21 0.00 -0.26 0.00 0.00 60.65 59.21 3iji s ILE 355 Cb 0.19 -2.67 0.04 0.00 1.25 0.00 0.00 42.46 41.27 3iji s ILE 355 CO 0.53 -0.13 1.06 -1.54 0.24 0.00 0.00 174.94 175.10 3iji n SER 356 N -0.08 2.15 -2.57 4.36 3.41 0.29 -4.58 113.62 116.60 3iji n SER 356 Ca -0.10 -1.57 -0.22 0.00 -0.26 0.00 0.00 58.87 56.72 3iji n SER 356 Cb 0.56 0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 3iji n SER 356 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3iji n ASN 357 N 0.28 3.69 -4.77 4.04 6.94 -1.26 -5.03 115.26 119.15 3iji n ASN 357 Ca 0.10 -3.42 -0.39 0.00 -0.02 0.00 0.00 54.58 50.85 3iji n ASN 357 Cb 0.46 -0.49 -0.00 0.00 -2.36 0.00 0.00 39.78 37.39 3iji n ASN 357 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3iji s ASP 358 N -3.39 6.22 -0.00 0.53 -1.08 -1.26 -4.94 116.67 112.75 3iji s ASP 358 Ca 0.42 2.56 0.15 0.00 -0.52 0.00 0.00 52.55 55.15 3iji s ASP 358 Cb 0.41 -2.63 -0.17 0.00 -1.46 0.00 0.00 42.92 39.07 3iji s ASP 358 CO -0.12 -0.90 0.59 0.54 0.52 0.00 0.00 175.17 175.80 3iji n ARG 359 N -0.09 1.84 -4.30 4.34 1.74 -1.26 -5.02 116.66 113.91 3iji n ARG 359 Ca 0.05 -0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 3iji n ARG 359 Cb 0.45 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 3iji n ARG 359 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3iji s PHE 360 N -2.50 1.54 -0.27 -1.55 0.08 -1.26 -4.61 117.98 109.41 3iji s PHE 360 Ca 0.04 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 56.47 3iji s PHE 360 Cb 0.11 -0.75 0.04 0.00 -0.57 0.00 0.00 43.02 41.85 3iji s PHE 360 CO 0.62 0.24 -0.04 0.21 -0.10 0.00 0.00 175.22 176.15 3iji s LYS 361 N -3.41 2.63 0.00 0.44 2.20 -0.17 -4.57 119.74 116.85 3iji s LYS 361 Ca 0.18 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 3iji s LYS 361 Cb -0.01 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3iji s LYS 361 CO 0.04 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3iji n GLY 362 N 4.64 3.87 3.75 5.54 0.00 -1.26 -1.22 105.19 120.50 3iji n GLY 362 Ca -0.15 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3iji n GLY 362 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iji n VAL 363 N 0.00 3.54 -4.45 1.61 0.24 -1.26 -4.83 118.33 113.18 3iji n VAL 363 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.58 3iji n VAL 363 Cb 0.00 -1.74 -0.10 0.00 -1.47 0.00 0.00 33.84 30.53 3iji n VAL 363 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3iji s GLU 364 N -2.77 1.61 -0.29 7.34 0.41 -0.88 -4.92 118.70 119.20 3iji s GLU 364 Ca 0.68 -1.81 -0.09 0.00 -0.41 0.00 0.00 54.97 53.35 3iji s GLU 364 Cb -0.42 -1.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.59 3iji s GLU 364 CO 0.52 0.09 0.13 0.08 -0.49 0.00 0.00 175.26 175.59 3iji s VAL 365 N -2.88 4.60 -0.10 2.63 1.01 -1.26 0.32 120.40 124.72 3iji s VAL 365 Ca 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3iji s VAL 365 Cb 0.03 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3iji s VAL 365 CO 0.13 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.57 3iji s VAL 366 N 1.63 1.27 -1.44 2.92 1.01 -0.10 -4.67 120.40 121.02 3iji s VAL 366 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3iji s VAL 366 Cb -0.16 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3iji s VAL 366 CO 0.06 0.40 0.52 0.59 0.00 0.00 0.00 175.10 176.67 3iji n ASN 367 N 4.33 -5.17 0.00 3.32 3.02 -1.26 -0.15 115.26 119.35 3iji n ASN 367 Ca -0.18 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3iji n ASN 367 Cb 0.51 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 3iji n ASN 367 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iji n GLY 368 N -1.36 0.59 3.75 7.41 0.00 -1.03 -4.78 105.19 109.78 3iji n GLY 368 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3iji n GLY 368 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iji s LYS 369 N -0.41 3.32 0.19 1.61 2.20 0.79 -2.28 119.74 125.15 3iji s LYS 369 Ca 0.00 -0.29 -0.32 0.00 -0.36 0.00 0.00 55.97 55.01 3iji s LYS 369 Cb 0.00 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.20 3iji s LYS 369 CO 0.00 0.67 1.61 0.42 -0.36 0.00 0.00 175.35 177.69 3iji s ILE 370 N -0.75 2.42 -0.20 5.43 -1.09 -0.47 -0.93 121.20 125.61 3iji s ILE 370 Ca 0.12 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 3iji s ILE 370 Cb -0.12 -3.19 0.05 0.00 -1.58 0.00 0.00 42.46 37.61 3iji s ILE 370 CO 0.03 0.03 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.79 3iji s THR 371 N 1.07 1.52 0.20 2.92 2.01 0.15 -4.68 115.64 118.83 3iji s THR 371 Ca 0.71 -0.99 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 3iji s THR 371 Cb -0.46 -1.66 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 3iji s THR 371 CO 0.32 0.10 0.83 -0.76 -0.69 0.00 0.00 174.62 174.42 3iji s LEU 372 N 1.44 4.59 0.00 4.42 1.43 -1.26 -2.07 118.68 127.23 3iji s LEU 372 Ca -0.02 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 3iji s LEU 372 Cb -0.17 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.70 3iji s LEU 372 CO -0.08 0.18 0.51 -0.46 0.23 0.00 0.00 176.35 176.74 3iji n ASN 373 N 1.50 0.90 -1.18 2.29 0.23 -1.26 -5.02 115.26 112.72 3iji n ASN 373 Ca -0.04 -1.71 0.11 0.00 -0.53 0.00 0.00 54.58 52.40 3iji n ASN 373 Cb 0.48 -0.31 0.28 0.00 -2.08 0.00 0.00 39.78 38.15 3iji n ASN 373 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3iji n ASP 374 N -2.83 3.43 -4.77 0.53 10.43 -1.26 -4.96 116.55 117.11 3iji n ASP 374 Ca 0.09 -1.99 -0.40 0.00 2.57 0.00 0.00 54.79 55.06 3iji n ASP 374 Cb 0.33 -0.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.86 3iji n ASP 374 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iji s LEU 375 N -1.07 4.38 0.99 0.64 1.43 -1.26 -4.71 118.68 119.08 3iji s LEU 375 Ca 0.43 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 56.10 3iji s LEU 375 Cb 0.23 -3.70 0.18 0.00 0.03 0.00 0.00 46.19 42.93 3iji s LEU 375 CO 0.30 -0.61 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 3iji s PRO 376 N -1.90 0.51 6.62 1.29 0.04 -1.26 -3.86 135.00 136.44 3iji s PRO 376 Ca 0.51 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3iji s PRO 376 Cb -0.40 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3iji s PRO 376 CO 0.52 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3iji n GLY 377 N -0.92 1.51 0.37 0.56 0.00 -0.57 -2.58 105.19 103.56 3iji n GLY 377 Ca 0.05 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3iji n GLY 377 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3iji n ILE 378 N 0.00 0.00 -2.51 -0.61 -5.35 -1.26 -2.26 119.36 107.37 3iji n ILE 378 Ca 0.00 -0.19 -0.00 0.00 -0.27 0.00 0.00 62.75 62.28 3iji n ILE 378 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 3iji n ILE 378 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iji n GLY 379 N 1.14 0.93 3.29 3.28 0.00 -1.06 -4.01 105.19 108.75 3iji n GLY 379 Ca 0.20 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3iji n GLY 379 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iji s VAL 380 N -3.00 1.53 -0.09 1.61 -7.23 -1.26 -4.23 120.40 107.72 3iji s VAL 380 Ca 0.01 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3iji s VAL 380 Cb -0.00 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.20 3iji s VAL 380 CO 0.01 -0.45 -0.19 -0.32 -0.31 0.00 0.00 175.10 173.84 3iji s MET 381 N -2.97 2.50 0.00 4.82 1.75 -0.36 -4.96 119.30 120.08 3iji s MET 381 Ca 0.14 -0.69 0.27 0.00 -1.25 0.00 0.00 55.69 54.16 3iji s MET 381 Cb -0.04 -1.94 1.64 0.00 2.84 0.00 0.00 34.83 37.33 3iji s MET 381 CO 0.04 0.11 1.98 1.17 -0.65 0.00 0.00 175.02 177.68