#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4j s VAL 4 N 0.00 4.83 -0.84 2.41 1.01 -1.26 -4.99 120.40 121.56 3i4j s VAL 4 Ca 0.00 1.65 -0.22 0.00 0.00 0.00 0.00 61.98 63.41 3i4j s VAL 4 Cb 0.00 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.33 3i4j s VAL 4 CO 0.00 0.30 1.19 0.12 0.00 0.00 0.00 175.10 176.71 3i4j s PHE 5 N 0.34 2.68 0.70 5.22 5.99 -1.26 -5.00 117.98 126.66 3i4j s PHE 5 Ca 0.40 -0.76 -0.13 0.00 0.00 0.00 0.00 56.93 56.44 3i4j s PHE 5 Cb -0.20 -4.46 0.02 0.00 0.00 0.00 0.00 43.02 38.39 3i4j s PHE 5 CO 0.22 -1.76 1.10 0.71 -0.00 0.00 0.00 175.22 175.50 3i4j s TYR 6 N 4.24 2.61 0.09 10.12 2.02 -1.26 -4.94 117.35 130.23 3i4j s TYR 6 Ca 0.33 1.55 0.29 0.00 -0.37 0.00 0.00 57.07 58.87 3i4j s TYR 6 Cb -0.08 -3.12 1.11 0.00 -0.40 0.00 0.00 41.96 39.48 3i4j s TYR 6 CO 0.01 -1.73 1.89 0.00 -1.57 0.00 0.00 175.55 174.15 3i4j h ARG 7 N -0.42 0.00 0.00 -0.62 3.08 -1.95 -3.47 114.38 111.01 3i4j h ARG 7 Ca -0.45 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.64 3i4j h ARG 7 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3i4j h ARG 7 CO 0.53 0.10 0.37 -1.13 -1.07 0.00 0.00 179.97 178.77 3i4j n SER 8 N -3.23 -1.85 0.05 7.04 3.41 -1.26 -5.03 113.62 112.74 3i4j n SER 8 Ca 0.01 -2.17 0.13 0.00 -0.26 0.00 0.00 58.87 56.58 3i4j n SER 8 Cb 0.37 3.05 0.50 0.00 -0.26 0.00 0.00 64.21 67.88 3i4j n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i4j n SER 9 N -1.37 0.37 -4.75 4.04 3.41 -1.26 -4.87 113.62 109.19 3i4j n SER 9 Ca -0.05 0.54 -0.30 0.00 -0.26 0.00 0.00 58.87 58.80 3i4j n SER 9 Cb 0.53 -0.64 0.12 0.00 -0.26 0.00 0.00 64.21 63.96 3i4j n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3i4j s LYS 10 N -3.06 1.54 0.31 4.33 -2.85 -1.26 -4.98 119.74 113.76 3i4j s LYS 10 Ca 0.11 0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 55.55 3i4j s LYS 10 Cb 0.15 -1.85 -0.10 0.00 -2.06 0.00 0.00 37.83 33.97 3i4j s LYS 10 CO 0.53 -2.03 1.22 -1.25 0.10 0.00 0.00 175.35 173.92 3i4j s PRO 11 N -5.01 4.48 -0.43 1.78 0.04 -1.26 -5.01 135.00 129.59 3i4j s PRO 11 Ca 0.63 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.72 3i4j s PRO 11 Cb -0.17 -3.12 0.13 0.00 0.04 0.00 0.00 34.50 31.38 3i4j s PRO 11 CO 0.56 -0.02 0.22 0.71 0.04 0.00 0.00 177.00 178.51 3i4j s TYR 12 N -1.12 2.06 0.41 0.56 2.02 -1.26 -5.11 117.35 114.91 3i4j s TYR 12 Ca 0.47 -2.40 -0.24 0.00 -0.37 0.00 0.00 57.07 54.53 3i4j s TYR 12 Cb -0.36 -1.95 -0.12 0.00 -0.40 0.00 0.00 41.96 39.13 3i4j s TYR 12 CO 0.48 -0.80 0.82 -2.30 -1.57 0.00 0.00 175.55 172.18 3i4j n PRO 13 N 3.69 0.99 -2.96 -1.71 -0.02 -1.26 -4.90 135.00 128.83 3i4j n PRO 13 Ca 0.07 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3i4j n PRO 13 Cb 0.35 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 3i4j n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i4j s VAL 14 N -1.33 4.64 0.32 -1.45 1.01 -1.26 -5.02 120.40 117.31 3i4j s VAL 14 Ca 0.63 0.38 -0.27 0.00 0.00 0.00 0.00 61.98 62.73 3i4j s VAL 14 Cb -0.59 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.36 3i4j s VAL 14 CO 0.57 -0.75 1.02 0.00 0.00 0.00 0.00 175.10 175.95 3i4j s ALA 15 N 3.31 3.25 0.00 5.51 0.00 -1.26 -0.62 121.76 131.94 3i4j s ALA 15 Ca 0.29 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3i4j s ALA 15 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i4j s ALA 15 CO 0.22 -0.04 0.00 1.33 0.00 0.00 0.00 175.76 177.27 3i4j n VAL 16 N 0.68 0.00 -3.83 0.00 0.24 0.19 -4.80 118.33 110.81 3i4j n VAL 16 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 3i4j n VAL 16 Cb 0.48 -0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.62 3i4j n VAL 16 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i4j s ARG 17 N -1.37 0.33 -0.06 7.34 3.52 -0.95 -5.02 118.95 122.74 3i4j s ARG 17 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3i4j s ARG 17 Cb 0.00 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 3i4j s ARG 17 CO 0.00 -0.06 -0.05 0.20 -0.81 0.00 0.00 175.30 174.58 3i4j s GLY 18 N -0.48 0.52 -0.16 8.12 0.00 -1.26 -0.28 107.32 113.78 3i4j s GLY 18 Ca -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 3i4j s GLY 18 CO 0.01 0.58 0.16 1.85 0.00 0.00 0.00 173.10 175.70 3i4j s GLU 19 N 1.17 0.11 7.76 2.90 2.12 0.85 -3.22 118.70 130.39 3i4j s GLU 19 Ca -0.07 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.47 3i4j s GLU 19 Cb -0.14 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.09 3i4j s GLU 19 CO -0.01 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 3i4j n GLY 20 N 5.31 3.19 1.22 -1.50 0.00 -0.07 -1.52 105.19 111.82 3i4j n GLY 20 Ca -0.06 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i4j n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4j n VAL 21 N 0.00 0.85 -4.44 1.61 0.24 -1.26 -0.18 118.33 115.15 3i4j n VAL 21 Ca 0.00 -0.88 -0.31 0.00 -2.04 0.00 0.00 64.34 61.11 3i4j n VAL 21 Cb 0.00 0.49 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 3i4j n VAL 21 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i4j s PHE 22 N -1.15 2.79 0.07 6.34 0.08 -0.57 -0.24 117.98 125.30 3i4j s PHE 22 Ca 0.44 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.47 3i4j s PHE 22 Cb 0.23 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3i4j s PHE 22 CO 0.30 0.36 -0.24 -0.51 -0.10 0.00 0.00 175.22 175.04 3i4j s LEU 23 N -1.63 2.22 -0.03 -0.37 1.43 -0.41 -0.11 118.68 119.79 3i4j s LEU 23 Ca 0.18 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3i4j s LEU 23 Cb -0.11 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3i4j s LEU 23 CO 0.09 0.18 -0.08 -0.31 0.23 0.00 0.00 176.35 176.46 3i4j s TYR 24 N -0.92 0.91 0.50 0.29 2.02 0.62 -0.20 117.35 120.57 3i4j s TYR 24 Ca 0.10 -0.23 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 3i4j s TYR 24 Cb -0.10 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.84 3i4j s TYR 24 CO 0.03 -0.12 0.69 0.16 -1.57 0.00 0.00 175.55 174.75 3i4j s ASP 25 N 0.31 5.36 0.00 2.29 1.47 -0.73 -0.64 116.67 124.73 3i4j s ASP 25 Ca -0.05 -0.47 0.16 0.00 1.18 0.00 0.00 52.55 53.37 3i4j s ASP 25 Cb -0.09 -0.39 0.94 0.00 -0.34 0.00 0.00 42.92 43.04 3i4j s ASP 25 CO 0.01 -1.05 1.37 -0.90 0.68 0.00 0.00 175.17 175.27 3i4j n ASP 26 N -2.10 0.00 -0.87 2.11 5.75 0.21 -1.55 116.55 120.10 3i4j n ASP 26 Ca 0.11 -0.46 0.12 0.00 -0.01 0.00 0.00 54.79 54.54 3i4j n ASP 26 Cb 0.60 -0.02 0.08 0.00 -1.03 0.00 0.00 41.12 40.75 3i4j n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i4j n ALA 27 N -1.02 2.62 0.00 2.12 0.00 -1.26 -4.96 120.51 118.00 3i4j n ALA 27 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3i4j n ALA 27 Cb 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3i4j n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 28 N 1.32 2.11 3.75 0.00 0.00 -0.60 -5.06 105.19 106.71 3i4j n GLY 28 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3i4j n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4j n ARG 29 N -2.00 1.86 -5.02 1.61 1.74 -1.26 -4.76 116.66 108.83 3i4j n ARG 29 Ca 0.00 0.68 -0.31 0.00 -0.77 0.00 0.00 57.85 57.44 3i4j n ARG 29 Cb 0.00 -2.60 -0.14 0.00 -1.02 0.00 0.00 32.46 28.70 3i4j n ARG 29 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i4j s ARG 30 N -2.76 2.12 0.01 5.56 3.52 -1.26 -1.77 118.95 124.37 3i4j s ARG 30 Ca 0.69 -0.93 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3i4j s ARG 30 Cb -0.43 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 3i4j s ARG 30 CO 0.52 0.56 -0.09 0.71 -0.81 0.00 0.00 175.30 176.18 3i4j s TYR 31 N -0.73 0.84 -0.26 5.12 2.02 0.72 -4.77 117.35 120.28 3i4j s TYR 31 Ca 0.12 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.39 3i4j s TYR 31 Cb -0.10 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 3i4j s TYR 31 CO 0.01 -0.01 0.50 -1.17 -1.57 0.00 0.00 175.55 173.31 3i4j s LEU 32 N -0.64 4.05 -1.27 -1.29 0.20 0.96 -1.29 118.68 119.41 3i4j s LEU 32 Ca 0.01 0.50 -0.19 0.00 0.69 0.00 0.00 54.13 55.13 3i4j s LEU 32 Cb -0.05 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.09 3i4j s LEU 32 CO 0.00 -0.27 1.82 -0.67 -0.29 0.00 0.00 176.35 176.94 3i4j n ASP 33 N 5.51 4.33 0.18 3.68 -0.08 0.67 -0.78 116.55 130.06 3i4j n ASP 33 Ca -0.05 -2.85 0.14 0.00 -1.51 0.00 0.00 54.79 50.52 3i4j n ASP 33 Cb 0.50 -1.73 0.60 0.00 2.34 0.00 0.00 41.12 42.83 3i4j n ASP 33 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3i4j h GLY 34 N 13.82 0.00 -0.09 0.27 0.00 -1.64 -2.91 103.07 112.52 3i4j h GLY 34 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3i4j h GLY 34 CO 1.44 0.00 -0.04 -1.14 0.00 0.00 0.00 176.54 176.79 3i4j n SER 35 N -2.46 1.76 -4.09 0.19 3.41 -1.17 -1.00 113.62 110.27 3i4j n SER 35 Ca 0.01 -2.32 -0.33 0.00 -0.26 0.00 0.00 58.87 55.97 3i4j n SER 35 Cb 0.20 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3i4j n SER 35 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i4j n SER 36 N -0.77 -3.56 0.00 4.04 7.64 -1.01 0.71 113.62 120.68 3i4j n SER 36 Ca 0.06 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3i4j n SER 36 Cb 0.46 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 3i4j n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i4j n GLY 37 N -1.55 1.84 2.61 0.23 0.00 -1.26 -1.31 105.19 105.74 3i4j n GLY 37 Ca 0.03 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 3i4j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4j n ALA 38 N 3.83 4.44 -3.77 4.61 0.00 -1.22 -4.56 120.51 123.85 3i4j n ALA 38 Ca 0.00 -4.17 -0.23 0.00 0.00 0.00 0.00 53.44 49.04 3i4j n ALA 38 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 19.45 18.79 3i4j n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i4j n LEU 39 N -0.29 -2.92 -0.06 0.00 4.32 0.22 -4.93 117.00 113.35 3i4j n LEU 39 Ca 0.31 -0.83 -0.12 0.00 -0.02 0.00 0.00 56.01 55.35 3i4j n LEU 39 Cb 0.61 -2.61 -0.04 0.00 -1.62 0.00 0.00 43.42 39.76 3i4j n LEU 39 CO 0.31 0.42 -0.82 0.52 -1.22 0.00 0.00 177.39 176.60 3i4j n VAL 40 N -4.37 0.89 -1.04 4.08 0.31 -0.42 -4.39 118.33 113.38 3i4j n VAL 40 Ca -0.23 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 63.70 3i4j n VAL 40 Cb 0.65 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 3i4j n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4j n ALA 41 N -3.69 5.13 0.29 3.52 0.00 -0.72 -3.73 120.51 121.29 3i4j n ALA 41 Ca -0.22 -2.76 0.13 0.00 0.00 0.00 0.00 53.44 50.59 3i4j n ALA 41 Cb 0.59 -3.26 0.84 0.00 0.00 0.00 0.00 19.45 17.62 3i4j n ALA 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i4j h ASN 42 N 6.31 0.00 -0.26 0.00 4.21 -1.88 -2.85 115.58 121.11 3i4j h ASN 42 Ca 0.57 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.08 3i4j h ASN 42 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3i4j h ASN 42 CO 1.66 0.02 0.00 2.30 -1.29 0.00 0.00 177.43 180.12 3i4j n ILE 43 N -3.97 1.63 0.00 2.81 -5.35 -1.26 -0.63 119.36 112.59 3i4j n ILE 43 Ca -0.03 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 60.98 3i4j n ILE 43 Cb 0.10 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 3i4j n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i4j n GLY 44 N -0.14 -1.03 3.92 3.28 0.00 -1.08 -4.78 105.19 105.36 3i4j n GLY 44 Ca 0.15 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 3i4j n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i4j s HIS 45 N -2.19 3.48 -0.30 1.61 0.09 0.75 -4.58 115.29 114.15 3i4j s HIS 45 Ca 0.00 0.43 -0.00 0.00 -0.00 0.00 0.00 55.06 55.49 3i4j s HIS 45 Cb 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 32.58 30.67 3i4j s HIS 45 CO 0.00 0.39 0.01 0.41 -0.00 0.00 0.00 174.74 175.55 3i4j n GLY 46 N -0.41 0.25 3.55 -2.22 0.00 -1.20 -0.89 105.19 104.27 3i4j n GLY 46 Ca -0.04 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3i4j n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4j s ARG 47 N -4.24 3.11 0.59 1.61 1.81 -1.26 -4.81 118.95 115.77 3i4j s ARG 47 Ca 0.01 -0.25 0.33 0.00 -1.72 0.00 0.00 55.73 54.10 3i4j s ARG 47 Cb -0.00 -4.51 1.88 0.00 -0.45 0.00 0.00 34.95 31.86 3i4j s ARG 47 CO 0.01 -2.36 2.24 0.00 -0.68 0.00 0.00 175.30 174.50 3i4j h ALA 48 N 11.03 1.32 -0.27 2.13 0.00 -1.99 -1.95 119.26 129.53 3i4j h ALA 48 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i4j h ALA 48 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i4j h ALA 48 CO 1.29 0.03 0.16 1.49 0.00 0.00 0.00 179.25 182.22 3i4j h GLU 49 N 0.00 0.37 -0.60 0.00 4.81 -2.00 -0.73 114.58 116.43 3i4j h GLU 49 Ca -0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 3i4j h GLU 49 Cb 0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3i4j h GLU 49 CO 0.00 0.31 0.03 0.28 -0.73 0.00 0.00 179.01 178.91 3i4j h VAL 50 N 0.33 1.26 -0.56 0.32 2.07 -1.73 -2.44 116.25 115.51 3i4j h VAL 50 Ca 0.10 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3i4j h VAL 50 Cb 0.04 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3i4j h VAL 50 CO -0.02 0.40 0.31 1.23 0.02 0.00 0.00 177.57 179.51 3i4j h GLY 51 N 0.94 0.80 1.42 2.17 0.00 -1.19 -0.98 103.07 106.22 3i4j h GLY 51 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3i4j h GLY 51 CO 0.02 0.15 0.10 0.83 0.00 0.00 0.00 176.54 177.65 3i4j h GLU 52 N 0.59 0.73 -0.37 4.80 4.39 -0.93 -0.31 114.58 123.49 3i4j h GLU 52 Ca 0.24 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 3i4j h GLU 52 Cb 0.11 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3i4j h GLU 52 CO -0.14 0.68 -0.28 0.00 -1.16 0.00 0.00 179.01 178.10 3i4j h ARG 53 N 0.71 0.78 -0.39 2.33 2.47 -0.90 -1.00 114.38 118.38 3i4j h ARG 53 Ca 0.16 -0.35 -0.10 0.00 -1.26 0.00 0.00 59.98 58.43 3i4j h ARG 53 Cb 0.28 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3i4j h ARG 53 CO -0.00 0.97 -0.16 0.52 0.56 0.00 0.00 179.97 181.86 3i4j h MET 54 N 0.67 0.79 -0.72 0.04 2.86 -0.79 -2.32 114.93 115.45 3i4j h MET 54 Ca 0.08 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3i4j h MET 54 Cb 0.81 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3i4j h MET 54 CO 0.07 0.95 0.35 0.00 1.06 0.00 0.00 176.91 179.34 3i4j h ALA 55 N 0.82 0.92 -0.73 6.32 0.00 -0.91 0.24 119.26 125.92 3i4j h ALA 55 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i4j h ALA 55 Cb 0.70 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i4j h ALA 55 CO 0.05 0.48 0.36 0.00 0.00 0.00 0.00 179.25 180.14 3i4j h ALA 56 N 1.17 1.26 -0.24 0.00 0.00 -1.08 -1.50 119.26 118.88 3i4j h ALA 56 Ca 0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3i4j h ALA 56 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i4j h ALA 56 CO -0.03 0.57 -0.64 0.37 0.00 0.00 0.00 179.25 179.52 3i4j h GLN 57 N 1.03 0.85 -0.87 0.00 5.75 -0.86 -2.15 115.11 118.87 3i4j h GLN 57 Ca 0.25 -0.60 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 3i4j h GLN 57 Cb 0.09 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3i4j h GLN 57 CO -0.03 1.22 0.52 0.00 -2.65 0.00 0.00 178.83 177.89 3i4j h ALA 58 N 0.63 1.28 0.00 3.38 0.00 -0.64 0.15 119.26 124.07 3i4j h ALA 58 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i4j h ALA 58 Cb 1.26 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i4j h ALA 58 CO 0.14 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 3i4j h ALA 59 N 1.38 0.94 0.00 0.00 0.00 -1.20 -3.32 119.26 117.05 3i4j h ALA 59 Ca 0.31 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 3i4j h ALA 59 Cb -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3i4j h ALA 59 CO -0.06 0.19 -1.77 -2.13 0.00 0.00 0.00 179.25 175.48 3i4j n ARG 60 N -3.19 0.57 -3.16 0.00 0.63 -0.82 -4.94 116.66 105.75 3i4j n ARG 60 Ca 0.02 0.40 0.01 0.00 -0.92 0.00 0.00 57.85 57.37 3i4j n ARG 60 Cb 0.50 -1.60 -0.01 0.00 0.45 0.00 0.00 32.46 31.80 3i4j n ARG 60 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3i4j s LEU 61 N -7.74 -1.40 0.15 6.15 2.96 0.49 -5.06 118.68 114.24 3i4j s LEU 61 Ca -0.32 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 52.92 3i4j s LEU 61 Cb 0.10 1.79 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 3i4j s LEU 61 CO 0.51 -0.16 1.36 1.55 -1.32 0.00 0.00 176.35 178.28 3i4j h PRO 62 N 6.87 0.34 -2.89 0.98 0.13 -1.63 -3.41 132.00 132.39 3i4j h PRO 62 Ca 0.04 -0.34 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 3i4j h PRO 62 Cb 1.19 0.09 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 3i4j h PRO 62 CO 0.08 1.02 -0.33 0.12 -0.23 0.00 0.00 178.00 178.67 3i4j s PHE 63 N -3.33 -0.40 -0.04 1.56 5.36 -1.26 -3.51 117.98 116.36 3i4j s PHE 63 Ca -0.05 0.95 -0.11 0.00 -0.96 0.00 0.00 56.93 56.77 3i4j s PHE 63 Cb 0.10 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 3i4j s PHE 63 CO 0.85 -0.20 0.24 0.14 -1.46 0.00 0.00 175.22 174.79 3i4j s VAL 64 N 0.40 0.05 -0.13 3.12 -7.23 -1.26 -5.03 120.40 110.32 3i4j s VAL 64 Ca -0.02 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 3i4j s VAL 64 Cb -0.04 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 3i4j s VAL 64 CO -0.02 -0.22 0.35 -2.28 -0.31 0.00 0.00 175.10 172.62 3i4j s HIS 65 N -0.88 3.51 0.41 2.82 2.46 -1.26 -4.76 115.29 117.59 3i4j s HIS 65 Ca -0.10 0.71 0.28 0.00 0.47 0.00 0.00 55.06 56.43 3i4j s HIS 65 Cb -0.05 -2.37 1.54 0.00 -0.13 0.00 0.00 32.58 31.57 3i4j s HIS 65 CO 0.02 0.29 1.84 0.78 -2.47 0.00 0.00 174.74 175.20 3i4j h GLY 66 N 6.40 0.00 1.94 1.59 0.00 -1.75 0.88 103.07 112.12 3i4j h GLY 66 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i4j h GLY 66 CO 0.73 0.00 -0.04 -1.14 0.00 0.00 0.00 176.54 176.09 3i4j n SER 67 N -2.66 0.45 -0.04 0.19 3.41 -1.26 -4.20 113.62 109.51 3i4j n SER 67 Ca -0.02 0.50 -0.05 0.00 -0.26 0.00 0.00 58.87 59.04 3i4j n SER 67 Cb 0.26 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 3i4j n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4j n GLN 68 N -1.91 0.18 -3.88 4.33 6.02 0.21 -5.09 117.38 117.24 3i4j n GLN 68 Ca 0.06 0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 3i4j n GLN 68 Cb 0.39 -1.13 -0.09 0.00 1.02 0.00 0.00 30.24 30.44 3i4j n GLN 68 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i4j s PHE 69 N -2.15 0.12 0.31 1.08 0.08 -0.61 -5.04 117.98 111.78 3i4j s PHE 69 Ca -0.10 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.63 3i4j s PHE 69 Cb 0.03 -0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.45 3i4j s PHE 69 CO 0.17 -0.40 0.39 0.45 -0.10 0.00 0.00 175.22 175.73 3i4j n SER 70 N 0.75 1.36 -4.02 1.36 2.88 -1.26 -4.04 113.62 110.66 3i4j n SER 70 Ca -0.19 -1.90 -0.08 0.00 -1.33 0.00 0.00 58.87 55.38 3i4j n SER 70 Cb 0.59 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 3i4j n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3i4j s SER 71 N -2.93 0.37 0.27 -3.46 1.04 -1.26 -5.04 113.70 102.69 3i4j s SER 71 Ca 0.29 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3i4j s SER 71 Cb -0.02 0.21 0.37 0.00 0.10 0.00 0.00 66.02 66.68 3i4j s SER 71 CO 0.19 -0.57 1.73 -2.24 0.98 0.00 0.00 173.24 173.33 3i4j h ASP 72 N 3.36 0.61 -0.04 7.02 2.03 -2.00 -1.73 116.42 125.66 3i4j h ASP 72 Ca -0.34 -0.18 -0.09 0.00 -0.73 0.00 0.00 57.03 55.69 3i4j h ASP 72 Cb 1.16 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 39.49 3i4j h ASP 72 CO 0.59 0.78 -0.24 -0.37 -1.03 0.00 0.00 179.24 178.98 3i4j h VAL 73 N 0.55 1.26 -0.26 4.15 -1.51 -1.96 -0.86 116.25 117.62 3i4j h VAL 73 Ca 0.09 -1.23 -0.19 0.00 -1.23 0.00 0.00 66.70 64.14 3i4j h VAL 73 Cb 0.59 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3i4j h VAL 73 CO 0.04 0.39 -0.58 0.25 -1.23 0.00 0.00 177.57 176.44 3i4j h LEU 74 N 0.41 0.97 -0.69 4.19 5.85 -1.84 0.11 115.31 124.31 3i4j h LEU 74 Ca 0.06 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3i4j h LEU 74 Cb 0.64 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3i4j h LEU 74 CO 0.05 1.34 0.42 -0.33 -0.34 0.00 0.00 178.44 179.58 3i4j h GLU 75 N 0.63 0.93 0.24 1.25 4.39 -1.07 0.88 114.58 121.84 3i4j h GLU 75 Ca 0.00 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3i4j h GLU 75 Cb 1.19 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3i4j h GLU 75 CO 0.13 0.66 -0.12 1.49 -1.16 0.00 0.00 179.01 180.01 3i4j h GLU 76 N 0.94 -0.31 -0.62 2.33 4.81 -1.05 -3.11 114.58 117.55 3i4j h GLU 76 Ca 0.25 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3i4j h GLU 76 Cb -0.04 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3i4j h GLU 76 CO -0.05 -0.03 0.38 -0.92 -0.73 0.00 0.00 179.01 177.66 3i4j h TYR 77 N -0.60 0.70 -0.58 0.92 3.20 -0.82 -1.97 116.97 117.83 3i4j h TYR 77 Ca -0.03 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3i4j h TYR 77 Cb 0.43 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 3i4j h TYR 77 CO 0.01 0.39 0.19 0.00 -1.64 0.00 0.00 178.16 177.12 3i4j h ALA 78 N 1.28 0.73 -0.26 1.82 0.00 -0.85 0.78 119.26 122.76 3i4j h ALA 78 Ca 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3i4j h ALA 78 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i4j h ALA 78 CO -0.11 -0.23 -0.11 0.78 0.00 0.00 0.00 179.25 179.58 3i4j h GLY 79 N 0.36 0.57 0.99 0.00 0.00 -1.42 -1.94 103.07 101.63 3i4j h GLY 79 Ca 0.30 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3i4j h GLY 79 CO -0.32 0.46 0.30 3.21 0.00 0.00 0.00 176.54 180.18 3i4j h ARG 80 N 0.26 0.65 -0.11 4.80 2.47 -0.85 -1.62 114.38 119.97 3i4j h ARG 80 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i4j h ARG 80 Cb 0.61 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3i4j h ARG 80 CO 0.03 0.47 0.02 1.25 0.56 0.00 0.00 179.97 182.30 3i4j h LEU 81 N 0.64 0.17 -0.53 3.04 5.85 -0.88 -0.78 115.31 122.83 3i4j h LEU 81 Ca 0.17 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3i4j h LEU 81 Cb -0.02 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3i4j h LEU 81 CO -0.03 0.38 0.14 0.00 -0.34 0.00 0.00 178.44 178.59 3i4j h ALA 82 N 0.80 0.63 -0.25 1.25 0.00 -1.24 -1.28 119.26 119.17 3i4j h ALA 82 Ca 0.03 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i4j h ALA 82 Cb 0.28 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i4j h ALA 82 CO 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.05 3i4j h ARG 83 N 0.29 0.40 -0.63 0.00 3.08 -1.17 -0.93 114.38 115.43 3i4j h ARG 83 Ca 0.26 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.28 3i4j h ARG 83 Cb 0.34 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3i4j h ARG 83 CO -0.31 0.50 0.33 0.35 -1.07 0.00 0.00 179.97 179.77 3i4j h PHE 84 N 0.23 0.61 0.00 3.04 3.57 -0.50 -2.41 116.94 121.48 3i4j h PHE 84 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3i4j h PHE 84 Cb 0.28 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3i4j h PHE 84 CO 0.01 0.28 0.00 1.33 -2.23 0.00 0.00 178.31 177.70 3i4j n VAL 85 N -4.83 0.00 -0.80 1.41 0.24 -0.54 -4.80 118.33 109.00 3i4j n VAL 85 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3i4j n VAL 85 Cb 0.18 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 3i4j n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4j n GLY 86 N 0.98 0.53 2.59 7.63 0.00 -0.91 -4.56 105.19 111.46 3i4j n GLY 86 Ca 0.23 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 3i4j n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4j n LEU 87 N 0.00 3.16 -0.32 0.99 4.77 -0.40 -4.97 117.00 120.23 3i4j n LEU 87 Ca 0.00 -5.01 0.32 0.00 -0.03 0.00 0.00 56.01 51.28 3i4j n LEU 87 Cb 0.00 -0.06 0.68 0.00 -2.33 0.00 0.00 43.42 41.72 3i4j n LEU 87 CO 0.00 2.15 1.29 1.55 -1.33 0.00 0.00 177.39 181.05 3i4j h PRO 88 N 2.87 0.10 -0.02 3.23 0.13 -1.70 -1.77 132.00 134.84 3i4j h PRO 88 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i4j h PRO 88 Cb 0.86 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3i4j h PRO 88 CO 0.70 0.07 -0.25 0.25 -0.23 0.00 0.00 178.00 178.54 3i4j n THR 89 N -4.31 0.00 -1.63 1.56 -2.24 -1.26 -4.60 114.28 101.79 3i4j n THR 89 Ca 0.25 -0.32 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3i4j n THR 89 Cb 1.14 1.13 0.06 0.00 -2.10 0.00 0.00 70.33 70.56 3i4j n THR 89 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3i4j s PHE 90 N -2.28 2.62 -0.21 4.78 0.40 -0.67 -4.49 117.98 118.13 3i4j s PHE 90 Ca 0.24 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 58.02 3i4j s PHE 90 Cb 0.19 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.54 3i4j s PHE 90 CO 0.45 -1.70 0.15 1.03 0.70 0.00 0.00 175.22 175.86 3i4j s ARG 91 N -4.31 4.15 -0.22 0.44 1.81 0.19 -4.82 118.95 116.19 3i4j s ARG 91 Ca 0.65 -0.22 -0.17 0.00 -1.72 0.00 0.00 55.73 54.27 3i4j s ARG 91 Cb -0.20 -3.47 -0.03 0.00 -0.45 0.00 0.00 34.95 30.80 3i4j s ARG 91 CO 0.45 0.20 0.47 0.12 -0.68 0.00 0.00 175.30 175.87 3i4j s PHE 92 N 0.65 3.34 -0.38 -0.53 5.36 -1.26 -0.62 117.98 124.55 3i4j s PHE 92 Ca 0.08 0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 56.68 3i4j s PHE 92 Cb -0.12 -2.63 0.08 0.00 -0.34 0.00 0.00 43.02 40.00 3i4j s PHE 92 CO 0.01 -0.12 0.16 -0.46 -1.46 0.00 0.00 175.22 173.35 3i4j s TRP 93 N 1.70 3.39 -0.01 10.12 -0.11 0.26 -4.97 118.94 129.32 3i4j s TRP 93 Ca 0.22 -1.87 -0.20 0.00 1.22 0.00 0.00 56.10 55.46 3i4j s TRP 93 Cb -0.15 -2.75 -0.05 0.00 -1.50 0.00 0.00 33.47 29.01 3i4j s TRP 93 CO 0.09 -0.86 0.59 0.00 -4.62 0.00 0.00 176.95 172.15 3i4j s ALA 94 N 1.29 3.49 0.12 5.86 0.00 -1.26 -1.38 121.76 129.88 3i4j s ALA 94 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3i4j s ALA 94 Cb -0.22 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3i4j s ALA 94 CO -0.00 0.16 0.07 1.33 0.00 0.00 0.00 175.76 177.32 3i4j n VAL 95 N 2.75 0.00 0.77 0.00 0.24 -0.26 -3.15 118.33 118.68 3i4j n VAL 95 Ca -0.07 -0.77 0.08 0.00 -2.04 0.00 0.00 64.34 61.54 3i4j n VAL 95 Cb 0.51 0.34 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 3i4j n VAL 95 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3i4j n SER 96 N -2.30 1.04 -3.63 -1.34 7.64 -1.26 -1.68 113.62 112.08 3i4j n SER 96 Ca 0.01 -1.02 -0.10 0.00 1.01 0.00 0.00 58.87 58.76 3i4j n SER 96 Cb 0.19 0.85 -0.04 0.00 -1.01 0.00 0.00 64.21 64.20 3i4j n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i4j s GLY 97 N -2.39 -0.27 0.22 0.23 0.00 -1.26 -3.18 107.32 100.67 3i4j s GLY 97 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 3i4j s GLY 97 CO 0.61 -0.26 1.79 -1.33 0.00 0.00 0.00 173.10 173.91 3i4j h GLY 98 N 2.30 1.07 1.50 0.20 0.00 -1.89 -1.82 103.07 104.43 3i4j h GLY 98 Ca -0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3i4j h GLY 98 CO 0.44 0.10 0.04 1.76 0.00 0.00 0.00 176.54 178.89 3i4j h SER 99 N 0.65 0.59 -0.02 0.19 0.02 -1.97 -0.57 113.55 112.43 3i4j h SER 99 Ca 0.34 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3i4j h SER 99 Cb 0.31 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3i4j h SER 99 CO -0.24 0.63 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.45 3i4j h GLU 100 N 0.60 0.47 -0.21 3.45 5.08 -1.81 -1.22 114.58 120.95 3i4j h GLU 100 Ca 0.13 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3i4j h GLU 100 Cb 0.32 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i4j h GLU 100 CO 0.01 0.73 -0.19 0.00 -1.00 0.00 0.00 179.01 178.55 3i4j h ALA 101 N 1.27 0.31 -0.51 3.43 0.00 -0.51 -1.19 119.26 122.06 3i4j h ALA 101 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3i4j h ALA 101 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i4j h ALA 101 CO 0.06 0.23 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 3i4j h THR 102 N 0.18 1.26 -0.65 0.00 2.02 -1.08 -1.16 112.91 113.49 3i4j h THR 102 Ca 0.04 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3i4j h THR 102 Cb 0.73 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3i4j h THR 102 CO 0.05 0.39 0.42 -0.08 0.37 0.00 0.00 175.52 176.67 3i4j h GLU 103 N 0.77 0.82 -0.72 6.66 4.81 -1.19 -1.54 114.58 124.19 3i4j h GLU 103 Ca 0.14 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3i4j h GLU 103 Cb 0.54 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3i4j h GLU 103 CO 0.03 0.54 0.25 0.77 -0.73 0.00 0.00 179.01 179.87 3i4j h SER 104 N 0.84 1.01 -0.44 1.04 0.02 -0.94 -1.42 113.55 113.66 3i4j h SER 104 Ca 0.25 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3i4j h SER 104 Cb -0.04 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3i4j h SER 104 CO -0.08 0.92 0.16 0.00 -1.14 0.00 0.00 176.83 176.69 3i4j h ALA 105 N 1.22 0.57 -0.44 3.77 0.00 -0.58 -0.06 119.26 123.74 3i4j h ALA 105 Ca 0.24 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3i4j h ALA 105 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i4j h ALA 105 CO -0.01 0.20 -0.06 0.28 0.00 0.00 0.00 179.25 179.66 3i4j h VAL 106 N 0.57 1.27 -0.54 0.00 2.07 -1.09 -1.18 116.25 117.34 3i4j h VAL 106 Ca 0.14 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 3i4j h VAL 106 Cb 0.23 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3i4j h VAL 106 CO -0.01 0.39 0.09 0.11 0.02 0.00 0.00 177.57 178.18 3i4j h LYS 107 N 0.65 0.85 -0.40 1.57 1.57 -1.13 -1.89 116.57 117.79 3i4j h LYS 107 Ca 0.12 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3i4j h LYS 107 Cb 0.58 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3i4j h LYS 107 CO 0.03 0.79 -0.04 1.25 -0.57 0.00 0.00 179.45 180.92 3i4j h LEU 108 N 0.81 0.73 -0.79 2.94 5.85 -0.80 -0.62 115.31 123.43 3i4j h LEU 108 Ca 0.17 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3i4j h LEU 108 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3i4j h LEU 108 CO 0.01 0.89 0.40 0.00 -0.34 0.00 0.00 178.44 179.40 3i4j h ALA 109 N 0.87 1.02 -0.29 1.25 0.00 -1.00 -0.63 119.26 120.48 3i4j h ALA 109 Ca 0.11 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3i4j h ALA 109 Cb 0.54 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i4j h ALA 109 CO 0.03 0.56 -0.36 0.00 0.00 0.00 0.00 179.25 179.48 3i4j h ARG 110 N 1.11 0.75 -0.22 0.00 3.08 -1.24 -3.10 114.38 114.76 3i4j h ARG 110 Ca 0.27 -0.43 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3i4j h ARG 110 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3i4j h ARG 110 CO -0.04 1.05 -0.12 0.37 -1.07 0.00 0.00 179.97 180.16 3i4j h GLN 111 N 0.50 0.36 -0.55 0.04 4.15 -0.89 -2.81 115.11 115.92 3i4j h GLN 111 Ca 0.04 -0.09 0.10 0.00 0.77 0.00 0.00 58.65 59.46 3i4j h GLN 111 Cb 0.95 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.51 3i4j h GLN 111 CO 0.09 0.49 0.10 -0.92 -1.93 0.00 0.00 178.83 176.66 3i4j h TYR 112 N 0.34 0.16 -0.02 3.99 3.20 -1.03 0.06 116.97 123.66 3i4j h TYR 112 Ca 0.07 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 3i4j h TYR 112 Cb 0.43 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3i4j h TYR 112 CO 0.01 -0.03 -0.71 0.45 -1.64 0.00 0.00 178.16 176.24 3i4j h HIS 113 N 0.24 0.17 -0.64 -3.82 3.86 -1.55 -2.72 115.15 110.69 3i4j h HIS 113 Ca 0.29 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3i4j h HIS 113 Cb 0.41 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3i4j h HIS 113 CO -0.25 0.79 0.09 0.28 0.86 0.00 0.00 177.93 179.70 3i4j h VAL 114 N 0.08 1.26 0.00 2.45 2.07 -1.10 0.36 116.25 121.37 3i4j h VAL 114 Ca -0.02 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3i4j h VAL 114 Cb 1.26 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3i4j h VAL 114 CO 0.10 0.39 -0.24 -0.33 0.02 0.00 0.00 177.57 177.51 3i4j h GLU 115 N 0.98 0.00 -0.39 1.57 4.39 -0.90 -2.06 114.58 118.17 3i4j h GLU 115 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3i4j h GLU 115 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3i4j h GLU 115 CO 0.01 0.24 0.00 0.54 -1.16 0.00 0.00 179.01 178.65 3i4j n ARG 116 N -4.23 1.90 -1.71 2.33 1.74 -0.84 -4.91 116.66 110.93 3i4j n ARG 116 Ca -0.02 -1.40 -0.05 0.00 -0.77 0.00 0.00 57.85 55.61 3i4j n ARG 116 Cb 0.30 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3i4j n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4j n GLY 117 N 1.12 0.42 2.55 -0.13 0.00 -0.78 -4.98 105.19 103.39 3i4j n GLY 117 Ca 0.13 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3i4j n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4j n GLU 118 N -2.07 2.22 0.08 1.61 1.02 0.12 -4.91 120.64 118.71 3i4j n GLU 118 Ca -0.06 -4.26 0.07 0.00 -0.02 0.00 0.00 57.16 52.89 3i4j n GLU 118 Cb 0.40 -1.98 0.34 0.00 -0.02 0.00 0.00 31.44 30.17 3i4j n GLU 118 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3i4j n PRO 119 N 0.35 0.08 0.24 3.49 -0.04 -1.26 -2.20 135.00 135.66 3i4j n PRO 119 Ca 0.28 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 3i4j n PRO 119 Cb 0.48 -1.72 0.55 0.00 -0.04 0.00 0.00 33.50 32.76 3i4j n PRO 119 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i4j h GLY 120 N 0.90 0.00 -7.14 0.55 0.00 -1.91 -3.39 103.07 92.08 3i4j h GLY 120 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3i4j h GLY 120 CO 0.00 0.00 1.42 0.50 0.00 0.00 0.00 176.54 178.46 3i4j s ARG 121 N -3.68 3.50 0.00 4.80 0.52 -0.94 -4.30 118.95 118.84 3i4j s ARG 121 Ca 0.01 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3i4j s ARG 121 Cb 0.10 -5.23 0.00 0.00 0.52 0.00 0.00 34.95 30.33 3i4j s ARG 121 CO 0.60 -2.26 0.00 1.97 0.02 0.00 0.00 175.30 175.63 3i4j n PHE 122 N 9.20 0.00 -2.43 -0.53 1.16 -0.95 -4.15 117.46 119.76 3i4j n PHE 122 Ca 0.31 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.48 3i4j n PHE 122 Cb 0.51 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.34 3i4j n PHE 122 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3i4j s LYS 123 N -1.65 4.57 -0.28 3.97 1.02 -0.52 -4.67 119.74 122.19 3i4j s LYS 123 Ca 0.00 1.84 0.01 0.00 0.02 0.00 0.00 55.97 57.84 3i4j s LYS 123 Cb 0.00 -3.20 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 3i4j s LYS 123 CO 0.00 0.09 -0.06 0.08 -0.92 0.00 0.00 175.35 174.54 3i4j s VAL 124 N -0.75 2.58 0.01 3.17 1.01 -0.45 -0.24 120.40 125.72 3i4j s VAL 124 Ca 0.48 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3i4j s VAL 124 Cb -0.32 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3i4j s VAL 124 CO 0.40 -0.05 0.91 -0.63 0.00 0.00 0.00 175.10 175.73 3i4j s ILE 125 N 1.18 4.83 0.43 2.22 1.01 0.33 -3.81 121.20 127.39 3i4j s ILE 125 Ca -0.07 1.92 0.03 0.00 0.00 0.00 0.00 60.65 62.53 3i4j s ILE 125 Cb -0.20 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 3i4j s ILE 125 CO -0.03 0.22 0.07 0.42 0.00 0.00 0.00 174.94 175.61 3i4j s THR 126 N 0.73 1.01 -0.06 2.92 -4.23 -0.87 -0.43 115.64 114.72 3i4j s THR 126 Ca 0.48 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 3i4j s THR 126 Cb -0.21 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 3i4j s THR 126 CO 0.26 0.00 -0.20 -0.60 -0.54 0.00 0.00 174.62 173.54 3i4j s ARG 127 N -3.79 2.20 0.37 3.99 3.52 -1.26 -0.81 118.95 123.17 3i4j s ARG 127 Ca 0.21 -0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 3i4j s ARG 127 Cb 0.04 -1.83 -0.11 0.00 -1.56 0.00 0.00 34.95 31.49 3i4j s ARG 127 CO 0.11 0.25 1.50 0.08 -0.81 0.00 0.00 175.30 176.44 3i4j s VAL 128 N 0.10 2.03 -0.21 7.11 1.01 -0.28 -1.02 120.40 129.15 3i4j s VAL 128 Ca -0.07 0.03 0.15 0.00 0.00 0.00 0.00 61.98 62.09 3i4j s VAL 128 Cb -0.14 -3.02 0.67 0.00 0.00 0.00 0.00 36.38 33.89 3i4j s VAL 128 CO 0.04 0.01 1.58 -0.81 0.00 0.00 0.00 175.10 175.91 3i4j n PRO 129 N 0.65 3.85 0.40 2.72 -0.04 -1.26 -3.42 135.00 137.90 3i4j n PRO 129 Ca 0.02 -3.00 -0.19 0.00 -0.04 0.00 0.00 63.50 60.29 3i4j n PRO 129 Cb 0.39 -2.05 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 3i4j n PRO 129 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3i4j h SER 130 N 2.83 -0.84 -0.34 3.54 0.02 -1.44 -3.46 113.55 113.85 3i4j h SER 130 Ca 0.00 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 3i4j h SER 130 Cb 1.70 0.22 0.03 0.00 0.14 0.00 0.00 62.40 64.49 3i4j h SER 130 CO 0.35 -0.60 -0.19 -2.11 -1.14 0.00 0.00 176.83 173.14 3i4j n ARG 156 N -5.52 0.00 -0.29 3.45 1.85 -1.26 -5.01 116.66 109.88 3i4j n ARG 156 Ca -0.14 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.81 3i4j n ARG 156 Cb 0.40 -0.26 0.26 0.00 -1.05 0.00 0.00 32.46 31.81 3i4j n ARG 156 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3i4j h PRO 157 N 0.18 0.38 0.00 2.89 0.11 -2.06 -0.45 132.00 133.04 3i4j h PRO 157 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3i4j h PRO 157 Cb 0.38 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3i4j h PRO 157 CO 0.14 0.25 -0.03 0.93 -0.21 0.00 0.00 178.00 179.07 3i4j h GLU 158 N 0.39 0.00 -0.00 1.05 3.07 -2.03 -1.11 114.58 115.95 3i4j h GLU 158 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3i4j h GLU 158 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3i4j h GLU 158 CO -0.50 0.03 -0.02 0.00 -1.40 0.00 0.00 179.01 177.12 3i4j n ALA 159 N -2.22 2.58 -3.34 3.43 0.00 -0.18 -4.29 120.51 116.48 3i4j n ALA 159 Ca -0.02 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 3i4j n ALA 159 Cb 0.13 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.04 3i4j n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3i4j n TRP 160 N -1.15 1.50 -1.78 0.00 7.02 -0.42 -1.35 117.44 121.27 3i4j n TRP 160 Ca 0.17 -3.84 -0.37 0.00 -1.02 0.00 0.00 57.50 52.43 3i4j n TRP 160 Cb 0.22 -0.41 0.06 0.00 -2.42 0.00 0.00 31.31 28.75 3i4j n TRP 160 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 3i4j s PRO 161 N -1.66 2.73 -0.13 -0.99 0.02 -1.25 -4.83 135.00 128.89 3i4j s PRO 161 Ca 0.36 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.49 3i4j s PRO 161 Cb 0.14 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3i4j s PRO 161 CO -0.08 -1.47 -0.20 0.15 -0.33 0.00 0.00 177.00 175.07 3i4j s LYS 162 N -3.26 3.12 0.10 5.54 -0.14 -1.26 -2.05 119.74 121.78 3i4j s LYS 162 Ca 0.80 -0.82 -0.15 0.00 -1.36 0.00 0.00 55.97 54.44 3i4j s LYS 162 Cb -0.38 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 33.26 3i4j s LYS 162 CO 0.41 0.10 0.51 -1.17 -0.76 0.00 0.00 175.35 174.43 3i4j s LEU 163 N 0.57 4.40 0.68 3.17 2.96 0.01 -4.91 118.68 125.58 3i4j s LEU 163 Ca -0.12 1.06 -0.17 0.00 -0.22 0.00 0.00 54.13 54.68 3i4j s LEU 163 Cb -0.16 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.50 3i4j s LEU 163 CO 0.04 0.19 1.22 -2.65 -1.32 0.00 0.00 176.35 173.82 3i4j n PRO 164 N 1.19 0.87 -1.37 0.98 -0.02 -1.26 -1.13 135.00 134.27 3i4j n PRO 164 Ca -0.08 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 3i4j n PRO 164 Cb 0.52 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.65 3i4j n PRO 164 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3i4j s LYS 165 N -3.44 2.02 0.66 -0.52 -2.85 -1.22 -4.56 119.74 109.83 3i4j s LYS 165 Ca 0.80 1.82 -0.17 0.00 -1.00 0.00 0.00 55.97 57.42 3i4j s LYS 165 Cb -0.36 -1.81 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 3i4j s LYS 165 CO 0.43 -1.94 1.22 -2.14 0.10 0.00 0.00 175.35 173.03 3i4j s PRO 166 N -3.90 2.53 -0.40 1.78 0.02 -1.26 -5.02 135.00 128.75 3i4j s PRO 166 Ca 0.75 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3i4j s PRO 166 Cb -0.31 -1.87 0.12 0.00 0.02 0.00 0.00 34.50 32.47 3i4j s PRO 166 CO 0.46 -1.56 0.18 0.34 -0.33 0.00 0.00 177.00 176.10 3i4j s ASP 167 N -1.76 3.85 0.58 2.53 -1.08 -1.26 -4.99 116.67 114.54 3i4j s ASP 167 Ca 0.77 -2.31 0.39 0.00 -0.52 0.00 0.00 52.55 50.88 3i4j s ASP 167 Cb -0.31 -1.04 2.10 0.00 -1.46 0.00 0.00 42.92 42.22 3i4j s ASP 167 CO 0.40 -0.32 2.19 1.55 0.52 0.00 0.00 175.17 179.51 3i4j h PRO 168 N 7.18 0.00 0.00 4.34 0.13 -1.92 0.11 132.00 141.84 3i4j h PRO 168 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3i4j h PRO 168 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3i4j h PRO 168 CO 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 3i4j h ALA 169 N 2.00 1.00 -2.18 -0.56 0.00 -1.94 -3.42 119.26 114.16 3i4j h ALA 169 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3i4j h ALA 169 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i4j h ALA 169 CO 0.00 0.00 -0.12 0.50 0.00 0.00 0.00 179.25 179.63 3i4j s ARG 170 N -3.33 3.34 0.23 0.00 3.52 0.37 -5.04 118.95 118.03 3i4j s ARG 170 Ca 0.06 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.02 3i4j s ARG 170 Cb 0.08 -2.59 -0.10 0.00 -1.56 0.00 0.00 34.95 30.78 3i4j s ARG 170 CO 0.59 -0.04 1.39 1.21 -0.81 0.00 0.00 175.30 177.63 3i4j s ASN 171 N -4.11 6.75 0.16 -2.12 3.84 -1.26 -4.67 114.94 113.52 3i4j s ASN 171 Ca 0.44 2.57 -0.22 0.00 0.21 0.00 0.00 52.86 55.86 3i4j s ASN 171 Cb -0.10 -2.62 0.06 0.00 -0.55 0.00 0.00 41.25 38.04 3i4j s ASN 171 CO 0.38 -0.63 1.62 1.23 -2.79 0.00 0.00 177.10 176.91 3i4j h GLY 172 N 5.15 -0.11 1.02 1.21 0.00 -1.75 0.55 103.07 109.14 3i4j h GLY 172 Ca -0.45 0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3i4j h GLY 172 CO 0.77 -0.20 -0.10 0.00 0.00 0.00 0.00 176.54 177.01 3i4j h ALA 173 N 0.88 0.61 -0.66 3.60 0.00 -1.70 -1.48 119.26 120.51 3i4j h ALA 173 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i4j h ALA 173 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i4j h ALA 173 CO -0.45 0.50 0.44 1.49 0.00 0.00 0.00 179.25 181.23 3i4j h GLU 174 N 0.69 0.87 -0.20 0.00 4.81 -1.79 -0.70 114.58 118.27 3i4j h GLU 174 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3i4j h GLU 174 Cb 0.64 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3i4j h GLU 174 CO 0.04 0.57 0.08 0.22 -0.73 0.00 0.00 179.01 179.20 3i4j h ASP 175 N 0.89 0.27 0.36 1.04 -0.00 0.25 -2.92 116.42 116.32 3i4j h ASP 175 Ca 0.24 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.03 57.08 3i4j h ASP 175 Cb -0.10 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.16 3i4j h ASP 175 CO -0.06 0.34 -0.21 0.00 -0.00 0.00 0.00 179.24 179.31 3i4j h ALA 176 N 0.93 1.39 -0.57 -0.78 0.00 -0.94 -2.90 119.26 116.40 3i4j h ALA 176 Ca 0.07 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.95 3i4j h ALA 176 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i4j h ALA 176 CO -0.01 0.27 0.54 0.93 0.00 0.00 0.00 179.25 180.98 3i4j h GLU 177 N 0.00 0.00 -0.08 0.00 4.39 -0.92 0.96 114.58 118.92 3i4j h GLU 177 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3i4j h GLU 177 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3i4j h GLU 177 CO 0.03 0.00 0.13 0.78 -1.16 0.00 0.00 179.01 178.79 3i4j h GLY 178 N 0.00 0.00 1.33 -3.84 0.00 -1.66 -1.07 103.07 97.82 3i4j h GLY 178 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 3i4j h GLY 178 CO -0.00 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.22 3i4j h LEU 179 N 0.00 0.79 -0.29 3.11 5.85 -1.05 -1.74 115.31 121.97 3i4j h LEU 179 Ca 0.04 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3i4j h LEU 179 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3i4j h LEU 179 CO -0.00 1.04 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.02 3i4j h ARG 180 N 0.64 0.54 -0.94 1.25 2.43 -1.36 -1.06 114.38 115.88 3i4j h ARG 180 Ca 0.07 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3i4j h ARG 180 Cb 0.85 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 3i4j h ARG 180 CO 0.07 0.71 0.61 0.00 -1.51 0.00 0.00 179.97 179.86 3i4j h ALA 181 N 0.81 1.22 -0.58 2.80 0.00 -1.45 -1.26 119.26 120.80 3i4j h ALA 181 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3i4j h ALA 181 Cb 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3i4j h ALA 181 CO 0.02 0.53 0.00 1.25 0.00 0.00 0.00 179.25 181.05 3i4j h LEU 182 N 1.22 0.99 -0.77 0.00 5.85 -1.10 -1.60 115.31 119.90 3i4j h LEU 182 Ca 0.36 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3i4j h LEU 182 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3i4j h LEU 182 CO -0.10 1.04 0.32 -0.07 -0.34 0.00 0.00 178.44 179.28 3i4j h LEU 183 N 0.93 1.05 -0.91 2.25 3.38 -0.42 0.26 115.31 121.84 3i4j h LEU 183 Ca 0.17 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3i4j h LEU 183 Cb 0.54 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3i4j h LEU 183 CO 0.03 0.92 -0.46 -0.33 0.09 0.00 0.00 178.44 178.70 3i4j h GLU 184 N 1.10 0.19 -0.27 1.13 5.08 -1.06 0.63 114.58 121.37 3i4j h GLU 184 Ca 0.26 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 3i4j h GLU 184 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i4j h GLU 184 CO -0.02 0.61 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.97 3i4j h ARG 185 N 0.16 0.81 0.00 2.33 9.65 -0.75 -3.26 114.38 123.32 3i4j h ARG 185 Ca 0.01 -0.51 -0.22 0.00 -1.10 0.00 0.00 59.98 58.16 3i4j h ARG 185 Cb 0.87 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 3i4j h ARG 185 CO 0.07 1.14 -1.25 0.93 2.80 0.00 0.00 179.97 183.65 3i4j h GLU 186 N 0.63 0.00 -1.08 0.20 4.39 -0.74 -3.50 114.58 114.47 3i4j h GLU 186 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3i4j h GLU 186 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3i4j h GLU 186 CO 0.12 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 179.04 3i4j n GLY 187 N 1.42 -0.93 0.52 -3.84 0.00 0.22 -4.71 105.19 97.86 3i4j n GLY 187 Ca -0.07 -0.66 0.33 0.00 0.00 0.00 0.00 46.02 45.62 3i4j n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4j h PRO 188 N 0.00 0.00 0.00 1.61 0.13 -1.78 0.17 132.00 132.12 3i4j h PRO 188 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i4j h PRO 188 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i4j h PRO 188 CO 0.00 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 3i4j n GLU 189 N -4.08 0.05 -0.06 0.86 0.00 -1.26 -1.63 120.64 114.53 3i4j n GLU 189 Ca 0.24 0.27 0.05 0.00 0.00 0.00 0.00 57.16 57.71 3i4j n GLU 189 Cb 1.20 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 31.22 3i4j n GLU 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i4j n THR 190 N -1.43 0.36 -4.38 3.84 -2.24 0.58 -3.24 114.28 107.77 3i4j n THR 190 Ca 0.03 -0.68 -0.34 0.00 -2.27 0.00 0.00 64.05 60.80 3i4j n THR 190 Cb 0.11 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.18 3i4j n THR 190 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i4j s VAL 191 N -0.89 4.04 -0.18 2.28 1.01 -0.65 -1.44 120.40 124.58 3i4j s VAL 191 Ca 0.15 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3i4j s VAL 191 Cb 0.09 -2.75 -0.22 0.00 0.00 0.00 0.00 36.38 33.50 3i4j s VAL 191 CO 0.13 0.52 0.11 0.00 0.00 0.00 0.00 175.10 175.86 3i4j n ALA 192 N 3.17 1.38 -3.77 5.51 0.00 0.66 -4.69 120.51 122.78 3i4j n ALA 192 Ca -0.18 -1.05 -0.04 0.00 0.00 0.00 0.00 53.44 52.18 3i4j n ALA 192 Cb 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 3i4j n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j s ALA 193 N -2.53 -1.58 -0.12 0.00 0.00 -1.07 -1.21 121.76 115.24 3i4j s ALA 193 Ca -0.20 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3i4j s ALA 193 Cb 0.07 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.89 3i4j s ALA 193 CO 0.74 -1.04 -0.12 0.12 0.00 0.00 0.00 175.76 175.45 3i4j s PHE 194 N -3.39 1.87 -0.06 0.00 5.36 0.08 -0.51 117.98 121.34 3i4j s PHE 194 Ca 0.12 -0.97 0.05 0.00 -0.96 0.00 0.00 56.93 55.17 3i4j s PHE 194 Cb -0.02 -1.42 -0.02 0.00 -0.34 0.00 0.00 43.02 41.23 3i4j s PHE 194 CO 0.03 -0.56 -0.20 1.41 -1.46 0.00 0.00 175.22 174.44 3i4j s MET 195 N 1.39 2.57 -0.04 10.12 -2.45 0.43 -0.32 119.30 131.01 3i4j s MET 195 Ca 0.01 -0.82 -0.26 0.00 -1.25 0.00 0.00 55.69 53.38 3i4j s MET 195 Cb -0.13 -2.27 0.05 0.00 1.25 0.00 0.00 34.83 33.73 3i4j s MET 195 CO -0.07 0.46 0.56 0.00 1.05 0.00 0.00 175.02 177.02 3i4j s ALA 196 N -0.34 -1.45 -0.19 4.11 0.00 -0.53 -4.09 121.76 119.27 3i4j s ALA 196 Ca 0.02 0.99 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 3i4j s ALA 196 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3i4j s ALA 196 CO 0.02 -0.34 0.81 -1.21 0.00 0.00 0.00 175.76 175.04 3i4j s GLU 197 N -1.25 4.26 0.17 0.00 2.02 -1.26 -0.76 118.70 121.88 3i4j s GLU 197 Ca -0.12 0.95 -0.17 0.00 0.02 0.00 0.00 54.97 55.66 3i4j s GLU 197 Cb -0.02 -3.59 0.12 0.00 0.10 0.00 0.00 34.13 30.74 3i4j s GLU 197 CO 0.08 -0.36 1.66 -1.35 0.02 0.00 0.00 175.26 175.31 3i4j h PRO 198 N 7.42 -0.03 -5.24 0.39 0.11 -1.95 -3.36 132.00 129.34 3i4j h PRO 198 Ca -0.28 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 3i4j h PRO 198 Cb 1.12 0.01 -0.32 0.00 0.11 0.00 0.00 31.00 31.92 3i4j h PRO 198 CO 0.84 -0.02 -0.84 0.08 -0.21 0.00 0.00 178.00 177.84 3i4j s VAL 199 N -6.21 2.32 0.45 3.15 1.01 -1.26 -4.50 120.40 115.36 3i4j s VAL 199 Ca -0.14 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 3i4j s VAL 199 Cb 0.15 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3i4j s VAL 199 CO 0.71 0.54 1.24 -0.69 0.00 0.00 0.00 175.10 176.90 3i4j s VAL 200 N 0.65 2.79 0.00 2.92 1.01 0.32 -4.79 120.40 123.30 3i4j s VAL 200 Ca -0.10 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3i4j s VAL 200 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3i4j s VAL 200 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3i4j n GLY 201 N 0.59 1.00 0.32 4.51 0.00 -1.26 -1.64 105.19 108.71 3i4j n GLY 201 Ca 0.06 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3i4j n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4j h ALA 202 N -1.55 2.10 -0.99 4.61 0.00 -1.97 -2.18 119.26 119.28 3i4j h ALA 202 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3i4j h ALA 202 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 3i4j h ALA 202 CO 0.00 -0.17 0.58 0.77 0.00 0.00 0.00 179.25 180.42 3i4j h SER 203 N 0.17 0.67 -1.27 0.00 0.02 -1.91 -3.30 113.55 107.95 3i4j h SER 203 Ca 0.15 0.13 -0.22 0.00 -0.84 0.00 0.00 61.79 61.01 3i4j h SER 203 Cb 0.39 0.02 -0.21 0.00 0.14 0.00 0.00 62.40 62.74 3i4j h SER 203 CO -0.02 0.15 -0.57 -0.62 -1.14 0.00 0.00 176.83 174.62 3i4j s ASP 204 N -5.27 -0.86 -0.15 3.07 -1.08 -1.03 -4.88 116.67 106.48 3i4j s ASP 204 Ca -0.11 -1.83 -0.06 0.00 -0.52 0.00 0.00 52.55 50.03 3i4j s ASP 204 Cb 0.26 1.46 -0.04 0.00 -1.46 0.00 0.00 42.92 43.15 3i4j s ASP 204 CO 0.80 -0.09 0.43 0.00 0.52 0.00 0.00 175.17 176.82 3i4j n ALA 205 N 3.17 0.05 -2.23 3.66 0.00 -0.85 -0.87 120.51 123.43 3i4j n ALA 205 Ca 0.19 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.42 3i4j n ALA 205 Cb 0.54 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 3i4j n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j n ALA 206 N 1.63 -0.60 -2.01 0.00 0.00 -0.65 -4.19 120.51 114.70 3i4j n ALA 206 Ca 0.11 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3i4j n ALA 206 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 3i4j n ALA 206 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i4j s LEU 207 N -5.56 4.35 -0.04 0.00 2.96 -0.05 -4.58 118.68 115.75 3i4j s LEU 207 Ca 0.00 2.38 0.03 0.00 -0.22 0.00 0.00 54.13 56.32 3i4j s LEU 207 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 3i4j s LEU 207 CO 0.00 -0.84 -0.13 0.00 -1.32 0.00 0.00 176.35 174.06 3i4j s ALA 208 N 2.60 1.24 0.83 5.97 0.00 -1.26 -0.52 121.76 130.61 3i4j s ALA 208 Ca 0.71 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 3i4j s ALA 208 Cb -0.37 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.37 3i4j s ALA 208 CO 0.31 0.18 1.12 -2.14 0.00 0.00 0.00 175.76 175.23 3i4j s PRO 209 N 0.28 1.70 0.76 0.00 0.02 -1.26 -4.44 135.00 132.06 3i4j s PRO 209 Ca -0.07 1.37 -0.11 0.00 0.02 0.00 0.00 61.00 62.20 3i4j s PRO 209 Cb -0.12 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.63 3i4j s PRO 209 CO 0.02 -2.09 1.10 0.00 -0.33 0.00 0.00 177.00 175.70 3i4j s ALA 210 N -2.74 2.53 0.48 -1.55 0.00 -1.26 -4.93 121.76 114.28 3i4j s ALA 210 Ca 0.64 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 3i4j s ALA 210 Cb -0.20 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 3i4j s ALA 210 CO 0.56 -1.48 1.00 -2.30 0.00 0.00 0.00 175.76 173.55 3i4j n PRO 211 N -3.25 1.26 0.00 0.00 -0.02 -1.26 -2.47 135.00 129.25 3i4j n PRO 211 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3i4j n PRO 211 Cb 0.57 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3i4j n PRO 211 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4j n GLY 212 N 1.20 1.96 0.48 -1.23 0.00 -1.26 -3.11 105.19 103.23 3i4j n GLY 212 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3i4j n GLY 212 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i4j h TYR 213 N 0.00 -1.12 0.00 1.61 3.20 -1.54 -2.68 116.97 116.44 3i4j h TYR 213 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3i4j h TYR 213 Cb 0.00 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3i4j h TYR 213 CO 0.00 -0.70 -0.14 1.88 -1.64 0.00 0.00 178.16 177.56 3i4j h TYR 214 N -1.23 0.00 -0.47 -3.82 0.05 -1.88 -1.06 116.97 108.55 3i4j h TYR 214 Ca -0.12 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 3i4j h TYR 214 Cb 0.93 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 3i4j h TYR 214 CO 0.02 0.14 0.10 0.93 -1.05 0.00 0.00 178.16 178.31 3i4j h GLU 215 N 0.00 0.76 -0.43 4.88 3.07 -1.82 0.28 114.58 121.32 3i4j h GLU 215 Ca -0.00 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.36 58.53 3i4j h GLU 215 Cb 0.66 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3i4j h GLU 215 CO 0.02 0.75 -0.28 -0.09 -1.40 0.00 0.00 179.01 178.01 3i4j h ARG 216 N 0.64 0.93 -0.43 2.33 9.65 -1.08 -2.76 114.38 123.66 3i4j h ARG 216 Ca 0.15 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 58.63 3i4j h ARG 216 Cb 0.34 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 3i4j h ARG 216 CO 0.00 1.09 0.23 0.28 2.80 0.00 0.00 179.97 184.37 3i4j h VAL 217 N 0.79 0.99 -0.45 0.20 2.07 -0.85 -0.89 116.25 118.10 3i4j h VAL 217 Ca 0.09 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3i4j h VAL 217 Cb 0.85 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3i4j h VAL 217 CO 0.08 0.08 0.17 -0.09 0.02 0.00 0.00 177.57 177.83 3i4j h ARG 218 N 0.45 0.34 -0.49 1.57 9.65 -0.84 -0.68 114.38 124.39 3i4j h ARG 218 Ca 0.18 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 3i4j h ARG 218 Cb 0.07 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3i4j h ARG 218 CO -0.12 0.23 0.01 -0.44 2.80 0.00 0.00 179.97 182.45 3i4j h ASP 219 N 0.35 0.84 -0.69 -3.80 3.32 -1.17 -1.66 116.42 113.60 3i4j h ASP 219 Ca 0.21 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3i4j h ASP 219 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3i4j h ASP 219 CO -0.20 0.93 0.38 0.40 -1.72 0.00 0.00 179.24 179.03 3i4j h ILE 220 N 0.71 1.21 -0.39 0.35 5.03 -0.74 -0.51 117.51 123.18 3i4j h ILE 220 Ca 0.14 -0.54 -0.05 0.00 -0.12 0.00 0.00 64.86 64.29 3i4j h ILE 220 Cb 0.50 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 3i4j h ILE 220 CO 0.02 0.24 0.03 0.00 -0.68 0.00 0.00 178.15 177.76 3i4j h ASP 222 N 0.51 0.19 -0.54 0.00 3.32 -1.01 0.39 116.42 119.28 3i4j h ASP 222 Ca 0.12 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i4j h ASP 222 Cb 0.42 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3i4j h ASP 222 CO 0.01 0.15 0.33 -0.33 -1.72 0.00 0.00 179.24 177.68 3i4j h GLU 223 N 0.29 0.73 0.00 3.56 5.08 -0.96 -2.39 114.58 120.90 3i4j h GLU 223 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i4j h GLU 223 Cb 0.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3i4j h GLU 223 CO -0.10 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 3i4j h ALA 224 N 1.16 1.00 -0.86 3.43 0.00 -0.66 -3.47 119.26 119.86 3i4j h ALA 224 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3i4j h ALA 224 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i4j h ALA 224 CO -0.04 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.45 3i4j n GLY 225 N 0.67 0.33 3.88 0.00 0.00 0.13 -4.92 105.19 105.28 3i4j n GLY 225 Ca 0.03 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 3i4j n GLY 225 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4j s ILE 226 N -2.35 4.67 -0.09 -0.61 -4.36 -0.73 -5.03 121.20 112.71 3i4j s ILE 226 Ca 0.00 -1.24 -0.26 0.00 -0.26 0.00 0.00 60.65 58.89 3i4j s ILE 226 Cb 0.00 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.13 3i4j s ILE 226 CO 0.00 -0.33 0.85 -0.63 0.24 0.00 0.00 174.94 175.07 3i4j s ILE 227 N -2.09 4.92 -0.35 8.37 -1.09 -0.35 -4.57 121.20 126.04 3i4j s ILE 227 Ca 0.34 1.73 -0.16 0.00 -2.23 0.00 0.00 60.65 60.33 3i4j s ILE 227 Cb -0.08 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 3i4j s ILE 227 CO 0.27 0.13 0.41 0.12 -1.23 0.00 0.00 174.94 174.64 3i4j s PHE 228 N 1.44 3.20 -0.23 3.97 5.36 -1.26 -0.75 117.98 129.71 3i4j s PHE 228 Ca 0.43 0.03 -0.06 0.00 -0.96 0.00 0.00 56.93 56.36 3i4j s PHE 228 Cb -0.18 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.72 3i4j s PHE 228 CO 0.19 -0.47 0.03 0.42 -1.46 0.00 0.00 175.22 173.92 3i4j s ILE 229 N 2.14 4.02 -0.32 3.12 1.01 0.56 -1.05 121.20 130.68 3i4j s ILE 229 Ca 0.14 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3i4j s ILE 229 Cb -0.16 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3i4j s ILE 229 CO 0.12 0.38 0.22 0.00 0.00 0.00 0.00 174.94 175.66 3i4j s ALA 230 N 1.47 3.48 -0.69 9.38 0.00 -0.01 -1.45 121.76 133.93 3i4j s ALA 230 Ca 0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 3i4j s ALA 230 Cb -0.15 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.46 3i4j s ALA 230 CO 0.02 -0.87 0.98 0.34 0.00 0.00 0.00 175.76 176.22 3i4j s ASP 231 N 1.72 6.22 -0.29 0.00 -1.08 0.06 -0.40 116.67 122.91 3i4j s ASP 231 Ca 0.06 -1.12 0.10 0.00 -0.52 0.00 0.00 52.55 51.07 3i4j s ASP 231 Cb -0.17 -2.42 0.53 0.00 -1.46 0.00 0.00 42.92 39.41 3i4j s ASP 231 CO 0.10 -1.40 1.51 -0.62 0.52 0.00 0.00 175.17 175.28 3i4j n GLU 232 N 7.57 2.13 -0.29 4.34 -0.58 0.40 -4.13 120.64 130.08 3i4j n GLU 232 Ca -0.01 -3.10 0.04 0.00 -0.42 0.00 0.00 57.16 53.68 3i4j n GLU 232 Cb 0.46 -1.87 0.26 0.00 -0.57 0.00 0.00 31.44 29.72 3i4j n GLU 232 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i4j h VAL 233 N 1.19 1.06 0.00 2.62 2.07 -1.78 0.29 116.25 121.70 3i4j h VAL 233 Ca 0.22 -0.34 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 3i4j h VAL 233 Cb 1.75 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3i4j h VAL 233 CO 0.44 0.18 -2.25 0.80 0.02 0.00 0.00 177.57 176.76 3i4j n MET 234 N -4.49 0.72 0.14 1.57 0.00 -1.26 -3.94 117.12 109.87 3i4j n MET 234 Ca 0.13 0.09 0.13 0.00 -0.00 0.00 0.00 57.70 58.05 3i4j n MET 234 Cb 0.20 -1.45 0.33 0.00 0.00 0.00 0.00 33.22 32.31 3i4j n MET 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3i4j h SER 235 N 0.00 0.00 -3.96 6.12 4.64 -1.82 -3.46 113.55 115.06 3i4j h SER 235 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 3i4j h SER 235 Cb 1.85 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 64.05 3i4j h SER 235 CO -0.05 0.00 0.22 0.61 -0.87 0.00 0.00 176.83 176.75 3i4j n GLY 236 N 1.23 -0.61 3.30 -0.77 0.00 0.09 -3.49 105.19 104.94 3i4j n GLY 236 Ca 0.05 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 3i4j n GLY 236 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i4j n MET 237 N -2.81 -6.47 0.00 1.61 2.81 0.76 -2.89 117.12 110.13 3i4j n MET 237 Ca 0.12 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 3i4j n MET 237 Cb 0.43 -5.80 0.00 0.00 -0.71 0.00 0.00 33.22 27.14 3i4j n MET 237 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4j n GLY 238 N -1.77 1.73 0.30 3.03 0.00 -0.83 -4.90 105.19 102.75 3i4j n GLY 238 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3i4j n GLY 238 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i4j h ARG 239 N 3.09 0.27 -0.77 1.61 9.65 -1.69 -1.64 114.38 124.90 3i4j h ARG 239 Ca 0.00 -0.02 -0.33 0.00 -1.10 0.00 0.00 59.98 58.54 3i4j h ARG 239 Cb 0.00 -0.06 -0.19 0.00 -1.39 0.00 0.00 29.97 28.32 3i4j h ARG 239 CO 0.00 0.18 0.37 0.00 2.80 0.00 0.00 179.97 183.31 3i4j n GLY 241 N -0.73 0.63 3.41 0.00 0.00 -0.62 -3.80 105.19 104.08 3i4j n GLY 241 Ca 0.47 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3i4j n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4j s SER 242 N -2.96 -0.48 0.25 1.61 0.01 -1.26 -4.83 113.70 106.04 3i4j s SER 242 Ca 0.00 0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.64 3i4j s SER 242 Cb 0.00 0.47 0.49 0.00 0.21 0.00 0.00 66.02 67.18 3i4j s SER 242 CO 0.00 -0.60 1.73 -0.65 0.41 0.00 0.00 173.24 174.13 3i4j h PRO 243 N 3.17 0.43 -4.55 12.44 0.11 -1.90 -2.20 132.00 139.50 3i4j h PRO 243 Ca -0.29 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.35 3i4j h PRO 243 Cb 1.17 -0.10 -0.32 0.00 0.11 0.00 0.00 31.00 31.86 3i4j h PRO 243 CO 0.40 0.28 -0.79 -0.51 -0.21 0.00 0.00 178.00 177.17 3i4j s LEU 244 N -10.45 1.70 0.39 2.35 1.43 -1.26 -0.17 118.68 112.67 3i4j s LEU 244 Ca -0.12 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3i4j s LEU 244 Cb 0.21 -0.62 0.79 0.00 0.03 0.00 0.00 46.19 46.60 3i4j s LEU 244 CO 0.76 0.05 2.04 0.00 0.23 0.00 0.00 176.35 179.43 3i4j h ALA 245 N 6.60 1.64 -0.54 4.21 0.00 -1.75 -2.63 119.26 126.79 3i4j h ALA 245 Ca -0.34 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.61 3i4j h ALA 245 Cb 1.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3i4j h ALA 245 CO 0.48 0.32 0.36 1.25 0.00 0.00 0.00 179.25 181.66 3i4j h LEU 246 N 0.62 0.35 -2.52 0.00 5.85 -1.93 -1.65 115.31 116.03 3i4j h LEU 246 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3i4j h LEU 246 Cb -0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3i4j h LEU 246 CO -0.03 0.22 0.00 0.28 -0.34 0.00 0.00 178.44 178.56 3i4j h SER 247 N 0.39 0.00 0.48 1.25 0.02 -1.60 -1.75 113.55 112.33 3i4j h SER 247 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3i4j h SER 247 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i4j h SER 247 CO -0.06 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.66 3i4j h ARG 248 N 0.00 0.00 -3.90 3.45 3.08 -1.46 -0.80 114.38 114.75 3i4j h ARG 248 Ca 0.00 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 59.27 3i4j h ARG 248 Cb 0.09 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.89 3i4j h ARG 248 CO 0.00 0.00 0.66 -1.58 -1.07 0.00 0.00 179.97 177.98 3i4j s TRP 249 N -3.76 4.04 -1.34 3.04 0.51 -0.66 -4.69 118.94 116.08 3i4j s TRP 249 Ca -0.01 -2.50 -0.07 0.00 -2.12 0.00 0.00 56.10 51.40 3i4j s TRP 249 Cb 0.10 -3.96 0.05 0.00 -0.81 0.00 0.00 33.47 28.84 3i4j s TRP 249 CO 0.42 -1.07 0.47 0.43 -0.51 0.00 0.00 176.95 176.69 3i4j n SER 250 N 3.56 -4.38 -1.15 2.95 7.64 -1.25 -1.85 113.62 119.14 3i4j n SER 250 Ca 0.26 -0.30 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 3i4j n SER 250 Cb 0.41 -3.60 -0.06 0.00 -1.01 0.00 0.00 64.21 59.94 3i4j n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i4j n GLY 251 N -1.23 1.52 3.72 0.23 0.00 -0.31 -4.94 105.19 104.18 3i4j n GLY 251 Ca -0.05 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3i4j n GLY 251 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4j n VAL 252 N -2.51 2.13 -4.95 1.61 0.31 -0.77 -4.89 118.33 109.25 3i4j n VAL 252 Ca -0.15 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.40 3i4j n VAL 252 Cb 0.52 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.62 3i4j n VAL 252 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i4j s THR 253 N -1.12 1.82 0.74 2.52 -4.23 -1.26 -4.03 115.64 110.08 3i4j s THR 253 Ca 0.56 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3i4j s THR 253 Cb -0.53 -1.54 0.13 0.00 1.34 0.00 0.00 72.50 71.90 3i4j s THR 253 CO 0.62 0.40 1.02 -2.16 -0.54 0.00 0.00 174.62 173.96 3i4j s PRO 254 N -0.84 1.58 0.10 3.99 0.04 -1.26 -5.00 135.00 133.61 3i4j s PRO 254 Ca 0.09 -1.05 0.17 0.00 0.04 0.00 0.00 61.00 60.25 3i4j s PRO 254 Cb -0.09 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3i4j s PRO 254 CO 0.00 -1.54 0.93 -0.44 0.04 0.00 0.00 177.00 176.00 3i4j h ASP 255 N -0.63 0.00 -3.34 6.66 3.32 -1.46 -3.45 116.42 117.53 3i4j h ASP 255 Ca -0.37 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.46 3i4j h ASP 255 Cb 1.26 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 3i4j h ASP 255 CO 0.40 0.54 -0.53 -0.63 -1.72 0.00 0.00 179.24 177.30 3i4j s ILE 256 N -2.95 -0.08 -0.15 0.35 1.01 -1.01 -1.18 121.20 117.19 3i4j s ILE 256 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3i4j s ILE 256 Cb 0.09 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 3i4j s ILE 256 CO 0.80 0.07 -0.14 0.00 0.00 0.00 0.00 174.94 175.67 3i4j s ALA 257 N 1.35 2.54 -0.19 9.38 0.00 -0.23 -0.83 121.76 133.78 3i4j s ALA 257 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3i4j s ALA 257 Cb -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3i4j s ALA 257 CO -0.08 0.05 0.15 0.08 0.00 0.00 0.00 175.76 175.96 3i4j s VAL 258 N 0.69 5.40 0.24 0.00 1.01 0.47 -0.72 120.40 127.48 3i4j s VAL 258 Ca -0.07 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.24 3i4j s VAL 258 Cb -0.16 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3i4j s VAL 258 CO 0.02 0.45 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 3i4j s LEU 259 N 0.23 2.56 0.00 3.92 1.43 0.11 -0.45 118.68 126.48 3i4j s LEU 259 Ca 0.10 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 3i4j s LEU 259 Cb -0.11 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3i4j s LEU 259 CO -0.01 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3i4j n GLY 260 N -0.48 -1.22 5.59 -3.19 0.00 -1.25 -1.15 105.19 103.49 3i4j n GLY 260 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i4j n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i4j n LYS 261 N 0.00 0.00 0.00 1.61 5.02 -1.25 -2.22 118.16 121.32 3i4j n LYS 261 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 3i4j n LYS 261 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 3i4j n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4j n GLY 262 N 0.00 -0.58 0.44 0.72 0.00 -1.26 -1.63 105.19 102.89 3i4j n GLY 262 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i4j n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i4j h LEU 263 N 0.00 -1.10 -2.21 0.99 5.85 -1.72 -2.98 115.31 114.13 3i4j h LEU 263 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3i4j h LEU 263 Cb 0.03 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3i4j h LEU 263 CO 0.00 -0.60 0.00 0.00 -0.34 0.00 0.00 178.44 177.50 3i4j n ALA 264 N -2.70 2.38 -4.27 1.25 0.00 -1.19 -4.60 120.51 111.39 3i4j n ALA 264 Ca -0.12 -0.91 -0.36 0.00 0.00 0.00 0.00 53.44 52.05 3i4j n ALA 264 Cb 0.42 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 3i4j n ALA 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j n ALA 265 N 1.07 -1.38 -0.63 0.00 0.00 -0.64 -0.85 120.51 118.08 3i4j n ALA 265 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i4j n ALA 265 Cb 0.49 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3i4j n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 266 N -1.47 0.89 0.12 0.00 0.00 -1.24 -4.19 105.19 99.29 3i4j n GLY 266 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3i4j n GLY 266 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i4j h TYR 267 N 0.00 0.00 -1.99 1.61 0.05 -1.36 -3.48 116.97 111.80 3i4j h TYR 267 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3i4j h TYR 267 Cb 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3i4j h TYR 267 CO 0.00 0.00 0.27 0.00 -1.05 0.00 0.00 178.16 177.38 3i4j s ALA 268 N -3.35 -1.79 -0.62 3.88 0.00 -1.26 -5.04 121.76 113.59 3i4j s ALA 268 Ca 0.00 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 3i4j s ALA 268 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3i4j s ALA 268 CO 0.78 -0.39 1.57 -2.14 0.00 0.00 0.00 175.76 175.57 3i4j s PRO 269 N -1.38 3.01 -0.02 0.00 0.02 -1.26 -4.63 135.00 130.73 3i4j s PRO 269 Ca -0.08 0.37 -0.01 0.00 0.02 0.00 0.00 61.00 61.29 3i4j s PRO 269 Cb -0.00 -4.25 0.02 0.00 0.02 0.00 0.00 34.50 30.29 3i4j s PRO 269 CO 0.07 -2.30 0.05 -1.17 -0.33 0.00 0.00 177.00 173.31 3i4j s LEU 270 N 7.19 1.50 0.00 -5.54 2.96 -1.19 -4.53 118.68 119.07 3i4j s LEU 270 Ca 0.55 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 3i4j s LEU 270 Cb -0.11 0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.74 3i4j s LEU 270 CO 0.21 -0.06 0.60 0.00 -1.32 0.00 0.00 176.35 175.77 3i4j n ALA 271 N 3.49 -1.09 0.00 5.97 0.00 -0.68 -3.95 120.51 124.26 3i4j n ALA 271 Ca -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3i4j n ALA 271 Cb 0.56 0.98 0.00 0.00 0.00 0.00 0.00 19.45 20.99 3i4j n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 272 N -0.48 -1.39 3.12 0.00 0.00 -0.30 -1.10 105.19 105.04 3i4j n GLY 272 Ca -0.05 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 3i4j n GLY 272 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i4j s LEU 273 N 0.00 1.82 -0.16 0.99 0.05 -0.48 0.09 118.68 121.00 3i4j s LEU 273 Ca 0.00 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.62 3i4j s LEU 273 Cb 0.00 0.60 0.01 0.00 -2.05 0.00 0.00 46.19 44.75 3i4j s LEU 273 CO 0.00 -0.53 -0.18 -0.76 -0.55 0.00 0.00 176.35 174.33 3i4j s LEU 274 N -2.23 2.29 -0.06 1.48 1.43 0.10 -0.57 118.68 121.12 3i4j s LEU 274 Ca -0.04 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3i4j s LEU 274 Cb -0.00 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3i4j s LEU 274 CO -0.05 0.06 -0.11 0.00 0.23 0.00 0.00 176.35 176.47 3i4j s ALA 275 N 0.97 2.79 0.52 4.21 0.00 0.21 -1.07 121.76 129.39 3i4j s ALA 275 Ca -0.03 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 3i4j s ALA 275 Cb -0.15 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 3i4j s ALA 275 CO -0.04 0.56 1.35 0.00 0.00 0.00 0.00 175.76 177.63 3i4j s ALA 276 N -0.74 2.90 0.32 0.00 0.00 -0.32 -0.64 121.76 123.28 3i4j s ALA 276 Ca 0.11 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.48 3i4j s ALA 276 Cb -0.11 -3.55 0.89 0.00 0.00 0.00 0.00 23.12 20.35 3i4j s ALA 276 CO 0.01 -1.28 1.71 -1.35 0.00 0.00 0.00 175.76 174.85 3i4j h PRO 277 N 1.66 0.48 -0.63 0.00 0.11 -1.92 0.11 132.00 131.80 3i4j h PRO 277 Ca -0.51 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.66 3i4j h PRO 277 Cb 1.29 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3i4j h PRO 277 CO 0.58 0.32 0.27 0.37 -0.21 0.00 0.00 178.00 179.33 3i4j h GLN 278 N 0.49 0.47 -0.10 1.05 5.75 -1.97 0.21 115.11 121.01 3i4j h GLN 278 Ca 0.65 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 59.06 3i4j h GLN 278 Cb 1.28 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 3i4j h GLN 278 CO -0.51 0.31 -0.15 0.28 -2.65 0.00 0.00 178.83 176.11 3i4j h VAL 279 N 0.48 1.38 0.07 2.39 2.07 -1.16 -2.56 116.25 118.93 3i4j h VAL 279 Ca 0.31 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3i4j h VAL 279 Cb 0.35 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3i4j h VAL 279 CO -0.28 0.39 -0.04 0.22 0.02 0.00 0.00 177.57 177.88 3i4j h TYR 280 N -0.16 -0.11 0.00 1.57 3.20 -0.95 -2.85 116.97 117.67 3i4j h TYR 280 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3i4j h TYR 280 Cb 0.70 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3i4j h TYR 280 CO 0.10 -0.07 -0.19 0.93 -1.64 0.00 0.00 178.16 177.29 3i4j h GLU 281 N -0.12 0.00 -0.35 1.82 4.39 -0.68 -1.34 114.58 118.30 3i4j h GLU 281 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3i4j h GLU 281 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3i4j h GLU 281 CO 0.01 0.19 -0.13 1.15 -1.16 0.00 0.00 179.01 179.08 3i4j h THR 282 N 0.00 1.28 -0.15 1.13 2.02 -1.23 0.42 112.91 116.38 3i4j h THR 282 Ca -0.00 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 3i4j h THR 282 Cb 0.40 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3i4j h THR 282 CO 0.03 0.40 -0.43 1.62 0.37 0.00 0.00 175.52 177.51 3i4j h VAL 283 N 0.49 1.35 -0.26 3.16 3.04 -1.28 -2.42 116.25 120.34 3i4j h VAL 283 Ca 0.08 -1.69 -0.09 0.00 -1.01 0.00 0.00 66.70 63.99 3i4j h VAL 283 Cb 0.65 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 3i4j h VAL 283 CO 0.04 0.52 -0.23 0.24 -1.01 0.00 0.00 177.57 177.13 3i4j h MET 284 N 0.20 0.49 0.00 4.17 2.07 -1.22 -0.75 114.93 119.89 3i4j h MET 284 Ca -0.01 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.44 3i4j h MET 284 Cb 1.04 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.74 3i4j h MET 284 CO 0.09 0.69 -0.06 0.41 1.07 0.00 0.00 176.91 179.11 3i4j n GLY 285 N -0.41 -1.50 0.00 8.32 0.00 0.15 -3.69 105.19 108.05 3i4j n GLY 285 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i4j n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4j n GLY 286 N 1.47 0.18 0.27 -0.02 0.00 -0.91 -4.81 105.19 101.37 3i4j n GLY 286 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3i4j n GLY 286 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i4j h SER 287 N 0.00 0.00 -0.15 1.61 4.64 -1.83 -3.46 113.55 114.36 3i4j h SER 287 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3i4j h SER 287 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3i4j h SER 287 CO 0.00 0.05 -0.06 0.61 -0.87 0.00 0.00 176.83 176.56 3i4j n GLY 288 N -1.23 0.63 3.16 -0.77 0.00 -0.31 -5.03 105.19 101.63 3i4j n GLY 288 Ca -0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3i4j n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4j s ALA 289 N -2.11 -0.59 0.00 4.61 0.00 -1.25 -4.86 121.76 117.55 3i4j s ALA 289 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i4j s ALA 289 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3i4j s ALA 289 CO 0.00 -0.18 0.00 0.34 0.00 0.00 0.00 175.76 175.92 3i4j n PHE 290 N 2.15 0.00 -4.28 0.00 7.35 -1.26 -4.92 117.46 116.50 3i4j n PHE 290 Ca -0.17 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.30 3i4j n PHE 290 Cb 0.57 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.28 3i4j n PHE 290 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 3i4j s MET 291 N 0.00 1.11 -0.00 -4.13 -1.94 -1.26 -5.05 119.30 108.03 3i4j s MET 291 Ca 0.00 -1.23 0.04 0.00 -1.71 0.00 0.00 55.69 52.78 3i4j s MET 291 Cb 0.00 -1.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 3i4j s MET 291 CO 0.00 0.25 0.16 0.72 -0.01 0.00 0.00 175.02 176.14 3i4j n HIS 292 N 0.72 0.00 -1.95 -0.03 8.25 -1.26 -5.06 115.22 115.90 3i4j n HIS 292 Ca -0.17 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.23 3i4j n HIS 292 Cb 0.56 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.70 3i4j n HIS 292 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4j n GLY 293 N 1.15 0.04 1.72 -1.41 0.00 -1.26 -4.91 105.19 100.52 3i4j n GLY 293 Ca 0.01 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 3i4j n GLY 293 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4j n PHE 294 N -2.02 -0.57 -0.18 1.61 3.72 -1.26 -4.89 117.46 113.88 3i4j n PHE 294 Ca 0.04 0.23 -0.01 0.00 -0.05 0.00 0.00 57.45 57.67 3i4j n PHE 294 Cb 0.15 -1.92 0.08 0.00 -0.94 0.00 0.00 39.48 36.85 3i4j n PHE 294 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3i4j h THR 295 N 0.33 0.62 -0.36 4.37 2.02 -2.02 -2.15 112.91 115.73 3i4j h THR 295 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3i4j h THR 295 Cb 0.15 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3i4j h THR 295 CO 0.03 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 3i4j n TYR 296 N -5.18 0.78 -1.96 3.16 4.01 -1.26 -4.71 117.16 112.00 3i4j n TYR 296 Ca 0.07 -0.32 -0.42 0.00 -0.16 0.00 0.00 57.90 57.07 3i4j n TYR 296 Cb 0.29 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3i4j n TYR 296 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i4j s ALA 297 N -1.68 3.69 0.00 -0.72 0.00 -0.81 -1.35 121.76 120.90 3i4j s ALA 297 Ca 0.27 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3i4j s ALA 297 Cb 0.17 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3i4j s ALA 297 CO 0.14 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3i4j n GLY 298 N 3.90 0.77 3.39 0.00 0.00 -1.19 -4.32 105.19 107.73 3i4j n GLY 298 Ca 0.15 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.55 3i4j n GLY 298 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i4j n HIS 299 N -2.35 1.34 -0.19 1.61 -0.00 -0.45 -4.78 115.22 110.39 3i4j n HIS 299 Ca 0.00 0.89 -0.01 0.00 -0.00 0.00 0.00 57.72 58.59 3i4j n HIS 299 Cb 0.00 -2.25 0.05 0.00 -0.00 0.00 0.00 29.99 27.79 3i4j n HIS 299 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i4j h PRO 300 N 7.66 -0.00 -0.70 1.57 0.11 -1.85 0.03 132.00 138.82 3i4j h PRO 300 Ca -0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3i4j h PRO 300 Cb 1.39 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.47 3i4j h PRO 300 CO 1.05 -0.00 0.38 0.28 -0.21 0.00 0.00 178.00 179.49 3i4j h VAL 301 N -0.00 1.22 -0.43 3.15 2.07 -1.78 0.35 116.25 120.82 3i4j h VAL 301 Ca 0.28 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 3i4j h VAL 301 Cb 0.43 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3i4j h VAL 301 CO -0.61 0.24 -0.25 0.28 0.02 0.00 0.00 177.57 177.26 3i4j h SER 302 N 0.97 0.92 -0.58 0.57 0.02 -1.79 -2.26 113.55 111.40 3i4j h SER 302 Ca 0.25 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3i4j h SER 302 Cb 0.05 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3i4j h SER 302 CO -0.04 1.12 0.12 0.58 -1.14 0.00 0.00 176.83 177.47 3i4j h VAL 303 N 0.77 1.25 -0.41 2.27 2.07 -0.64 -1.52 116.25 120.05 3i4j h VAL 303 Ca 0.10 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3i4j h VAL 303 Cb 0.81 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3i4j h VAL 303 CO 0.07 0.35 0.08 0.00 0.02 0.00 0.00 177.57 178.09 3i4j h ALA 304 N 1.19 1.39 -0.46 1.67 0.00 -0.69 0.30 119.26 122.66 3i4j h ALA 304 Ca 0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3i4j h ALA 304 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i4j h ALA 304 CO 0.01 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 3i4j h ALA 305 N 1.50 0.63 -0.84 0.00 0.00 -0.83 -1.35 119.26 118.36 3i4j h ALA 305 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i4j h ALA 305 Cb 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i4j h ALA 305 CO -0.00 0.52 0.45 0.78 0.00 0.00 0.00 179.25 180.99 3i4j h GLY 306 N 0.72 1.27 1.05 0.00 0.00 -0.34 0.34 103.07 106.11 3i4j h GLY 306 Ca 0.12 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3i4j h GLY 306 CO 0.04 0.57 0.10 -2.00 0.00 0.00 0.00 176.54 175.25 3i4j h LEU 307 N 1.18 1.00 -0.41 3.11 5.85 -0.73 -0.40 115.31 124.91 3i4j h LEU 307 Ca 0.29 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3i4j h LEU 307 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3i4j h LEU 307 CO -0.04 1.01 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.72 3i4j h SER 308 N 0.95 0.76 -0.89 1.25 0.87 -0.83 -1.12 113.55 114.54 3i4j h SER 308 Ca 0.19 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3i4j h SER 308 Cb 0.44 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 3i4j h SER 308 CO 0.01 0.92 0.54 0.58 -0.53 0.00 0.00 176.83 178.36 3i4j h VAL 309 N 0.58 1.24 -0.65 2.23 2.07 -0.77 -1.98 116.25 118.97 3i4j h VAL 309 Ca 0.11 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3i4j h VAL 309 Cb 0.57 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3i4j h VAL 309 CO 0.03 0.25 0.23 0.25 0.02 0.00 0.00 177.57 178.35 3i4j h LEU 310 N 1.22 0.92 -0.61 2.57 5.85 -0.78 0.08 115.31 124.56 3i4j h LEU 310 Ca 0.32 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3i4j h LEU 310 Cb -0.06 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 3i4j h LEU 310 CO -0.06 0.86 0.31 0.44 -0.34 0.00 0.00 178.44 179.65 3i4j h ASP 311 N 0.92 0.43 -0.20 1.25 3.32 -0.52 -1.34 116.42 120.28 3i4j h ASP 311 Ca 0.21 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3i4j h ASP 311 Cb 0.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i4j h ASP 311 CO -0.01 0.28 -0.04 0.40 -1.72 0.00 0.00 179.24 178.14 3i4j h ILE 312 N 0.57 1.28 -0.97 0.35 2.04 -1.01 0.15 117.51 119.93 3i4j h ILE 312 Ca 0.28 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.21 3i4j h ILE 312 Cb 0.23 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3i4j h ILE 312 CO -0.21 0.31 0.63 0.58 0.00 0.00 0.00 178.15 179.46 3i4j h VAL 313 N 0.10 1.03 0.10 1.67 2.07 -0.63 -0.07 116.25 120.52 3i4j h VAL 313 Ca 0.05 -0.37 -0.21 0.00 0.82 0.00 0.00 66.70 66.99 3i4j h VAL 313 Cb 0.49 -0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3i4j h VAL 313 CO 0.02 0.20 -0.89 -0.33 0.02 0.00 0.00 177.57 176.58 3i4j h GLU 314 N 1.08 0.43 -0.43 1.57 5.08 -1.19 -1.85 114.58 119.28 3i4j h GLU 314 Ca 0.44 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3i4j h GLU 314 Cb 0.27 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3i4j h GLU 314 CO -0.19 1.25 0.22 -0.09 -1.00 0.00 0.00 179.01 179.20 3i4j h ARG 315 N -0.10 0.61 -0.27 2.33 2.43 -0.60 -2.78 114.38 116.00 3i4j h ARG 315 Ca -0.14 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3i4j h ARG 315 Cb 1.64 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3i4j h ARG 315 CO 0.17 0.50 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 3i4j n GLU 316 N -4.69 1.82 -4.09 0.20 1.02 -0.07 -4.95 120.64 109.89 3i4j n GLU 316 Ca 0.01 -1.25 -0.34 0.00 -0.02 0.00 0.00 57.16 55.56 3i4j n GLU 316 Cb 0.09 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3i4j n GLU 316 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i4j n ASP 317 N 0.49 -1.43 0.30 1.62 2.03 -1.04 -4.78 116.55 113.73 3i4j n ASP 317 Ca 0.15 -1.18 0.20 0.00 0.52 0.00 0.00 54.79 54.47 3i4j n ASP 317 Cb 0.33 -2.20 0.92 0.00 -0.72 0.00 0.00 41.12 39.45 3i4j n ASP 317 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i4j h LEU 318 N -2.04 0.00 -0.40 -2.67 3.38 -1.62 -0.93 115.31 111.02 3i4j h LEU 318 Ca -0.67 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.17 3i4j h LEU 318 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3i4j h LEU 318 CO 0.61 0.00 -0.26 0.74 0.09 0.00 0.00 178.44 179.62 3i4j h THR 319 N 0.00 1.28 -0.27 0.22 2.02 -1.82 0.29 112.91 114.64 3i4j h THR 319 Ca 0.00 -1.42 -0.17 0.00 0.77 0.00 0.00 66.41 65.59 3i4j h THR 319 Cb 0.26 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3i4j h THR 319 CO 0.00 0.48 -0.51 1.23 0.37 0.00 0.00 175.52 177.09 3i4j h GLY 320 N 0.70 0.82 1.00 2.16 0.00 -1.55 -3.02 103.07 103.19 3i4j h GLY 320 Ca 0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3i4j h GLY 320 CO 0.07 0.83 0.43 0.00 0.00 0.00 0.00 176.54 177.87 3i4j h ALA 321 N 0.84 0.91 -0.73 3.60 0.00 -1.01 -2.11 119.26 120.76 3i4j h ALA 321 Ca 0.02 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i4j h ALA 321 Cb 1.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3i4j h ALA 321 CO 0.11 0.38 0.48 0.00 0.00 0.00 0.00 179.25 180.22 3i4j h ALA 322 N 1.22 1.60 -0.38 0.00 0.00 -0.85 0.22 119.26 121.07 3i4j h ALA 322 Ca 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3i4j h ALA 322 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i4j h ALA 322 CO -0.05 0.32 -0.11 0.87 0.00 0.00 0.00 179.25 180.28 3i4j h LYS 323 N 0.86 0.75 0.05 0.00 1.57 -1.28 0.15 116.57 118.67 3i4j h LYS 323 Ca 0.29 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i4j h LYS 323 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i4j h LYS 323 CO -0.09 0.90 -0.02 1.49 -0.57 0.00 0.00 179.45 181.16 3i4j h GLU 324 N 0.55 -0.07 -0.04 3.15 4.81 -0.85 -2.13 114.58 120.00 3i4j h GLU 324 Ca 0.09 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3i4j h GLU 324 Cb 0.63 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3i4j h GLU 324 CO 0.04 0.50 -0.28 0.00 -0.73 0.00 0.00 179.01 178.54 3i4j h ARG 325 N -0.70 0.08 -0.47 1.92 2.47 -0.68 -2.33 114.38 114.67 3i4j h ARG 325 Ca -0.01 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 3i4j h ARG 325 Cb 0.60 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 3i4j h ARG 325 CO 0.01 0.36 -0.19 0.78 0.56 0.00 0.00 179.97 181.49 3i4j h GLY 326 N 0.92 1.00 1.28 0.04 0.00 -0.70 -1.13 103.07 104.48 3i4j h GLY 326 Ca 0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 3i4j h GLY 326 CO 0.04 0.77 -0.20 0.00 0.00 0.00 0.00 176.54 177.15 3i4j h ALA 327 N 0.98 0.85 -0.24 3.60 0.00 -1.04 -0.85 119.26 122.56 3i4j h ALA 327 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3i4j h ALA 327 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i4j h ALA 327 CO 0.06 0.64 0.04 0.37 0.00 0.00 0.00 179.25 180.36 3i4j h GLN 328 N 0.73 0.39 -0.59 0.00 4.15 -1.24 -1.52 115.11 117.04 3i4j h GLN 328 Ca 0.10 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3i4j h GLN 328 Cb 0.73 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3i4j h GLN 328 CO 0.06 0.52 -0.05 1.25 -1.93 0.00 0.00 178.83 178.68 3i4j h LEU 329 N 0.20 1.06 -0.44 -2.39 5.85 -1.12 -1.48 115.31 116.99 3i4j h LEU 329 Ca 0.07 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3i4j h LEU 329 Cb 0.32 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3i4j h LEU 329 CO 0.00 1.13 0.14 0.25 -0.34 0.00 0.00 178.44 179.63 3i4j h LEU 330 N 0.96 0.63 -1.19 2.25 5.85 -1.10 -0.29 115.31 122.43 3i4j h LEU 330 Ca 0.16 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3i4j h LEU 330 Cb 0.62 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3i4j h LEU 330 CO 0.04 0.66 0.41 0.00 -0.34 0.00 0.00 178.44 179.21 3i4j h ALA 331 N 0.99 1.39 -0.51 1.25 0.00 -1.16 -0.42 119.26 120.80 3i4j h ALA 331 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3i4j h ALA 331 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3i4j h ALA 331 CO -0.01 0.52 0.02 0.78 0.00 0.00 0.00 179.25 180.56 3i4j h GLY 332 N 1.02 0.91 1.48 0.00 0.00 -0.60 -1.57 103.07 104.30 3i4j h GLY 332 Ca 0.25 -0.60 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 3i4j h GLY 332 CO -0.05 0.56 -0.53 1.41 0.00 0.00 0.00 176.54 177.93 3i4j h LEU 333 N 0.79 0.61 -0.78 3.11 3.38 -0.20 -2.57 115.31 119.65 3i4j h LEU 333 Ca 0.15 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3i4j h LEU 333 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3i4j h LEU 333 CO 0.02 1.03 -0.35 1.56 0.09 0.00 0.00 178.44 180.78 3i4j h GLN 334 N 0.43 0.51 -0.57 1.13 4.20 -0.87 -0.07 115.11 119.87 3i4j h GLN 334 Ca 0.01 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 3i4j h GLN 334 Cb 1.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3i4j h GLN 334 CO 0.10 0.80 0.03 0.00 -0.67 0.00 0.00 178.83 179.09 3i4j h ALA 335 N 1.19 0.97 -0.13 3.87 0.00 -1.18 -2.50 119.26 121.47 3i4j h ALA 335 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3i4j h ALA 335 Cb 0.82 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i4j h ALA 335 CO 0.07 0.63 -0.41 -0.07 0.00 0.00 0.00 179.25 179.47 3i4j h LEU 336 N 0.90 0.31 -1.53 0.00 3.38 -1.03 -2.81 115.31 114.53 3i4j h LEU 336 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i4j h LEU 336 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i4j h LEU 336 CO 0.02 0.69 0.09 -0.61 0.09 0.00 0.00 178.44 178.73 3i4j h GLN 337 N 0.25 0.40 0.00 1.13 4.15 -0.58 0.17 115.11 120.64 3i4j h GLN 337 Ca 0.02 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 3i4j h GLN 337 Cb 0.83 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 3i4j h GLN 337 CO 0.07 0.36 -0.21 0.00 -1.93 0.00 0.00 178.83 177.12 3i4j h ALA 338 N 1.71 1.18 0.08 3.38 0.00 -1.25 -3.06 119.26 121.30 3i4j h ALA 338 Ca 0.10 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 3i4j h ALA 338 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i4j h ALA 338 CO -0.01 0.26 -1.92 -2.13 0.00 0.00 0.00 179.25 175.45 3i4j n ARG 339 N -3.60 0.72 -3.85 0.00 0.63 -0.31 -4.68 116.66 105.56 3i4j n ARG 339 Ca -0.01 0.27 -0.32 0.00 -0.92 0.00 0.00 57.85 56.87 3i4j n ARG 339 Cb 0.34 -1.73 -0.12 0.00 0.45 0.00 0.00 32.46 31.40 3i4j n ARG 339 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3i4j s PHE 340 N -2.57 3.37 -0.09 -0.14 0.08 0.45 -4.95 117.98 114.13 3i4j s PHE 340 Ca -0.17 -3.08 0.18 0.00 0.12 0.00 0.00 56.93 53.99 3i4j s PHE 340 Cb 0.07 -2.93 1.01 0.00 -0.57 0.00 0.00 43.02 40.59 3i4j s PHE 340 CO 0.78 -0.73 1.52 -0.35 -0.10 0.00 0.00 175.22 176.35 3i4j n PRO 341 N 2.92 0.12 0.30 0.24 -0.04 -1.22 -0.69 135.00 136.63 3i4j n PRO 341 Ca 0.10 0.61 0.18 0.00 -0.04 0.00 0.00 63.50 64.36 3i4j n PRO 341 Cb 0.34 -2.02 0.91 0.00 -0.04 0.00 0.00 33.50 32.69 3i4j n PRO 341 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i4j h GLN 342 N 0.00 0.00 -5.36 0.54 7.50 -1.92 -3.30 115.11 112.57 3i4j h GLN 342 Ca 0.00 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.53 3i4j h GLN 342 Cb 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.72 3i4j h GLN 342 CO 0.00 0.03 2.18 -1.33 -1.50 0.00 0.00 178.83 178.21 3i4j n MET 343 N -3.22 2.75 -0.28 1.46 2.81 0.13 -1.96 117.12 118.81 3i4j n MET 343 Ca -0.01 -2.92 0.05 0.00 -1.81 0.00 0.00 57.70 53.01 3i4j n MET 343 Cb 0.20 -3.47 0.20 0.00 -0.71 0.00 0.00 33.22 29.44 3i4j n MET 343 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3i4j h MET 344 N 7.68 0.57 -3.72 0.03 2.86 -0.95 -3.43 114.93 117.97 3i4j h MET 344 Ca 0.43 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.82 3i4j h MET 344 Cb 0.83 -0.13 -0.27 0.00 0.06 0.00 0.00 31.60 32.09 3i4j h MET 344 CO 1.53 0.38 -0.69 -0.65 1.06 0.00 0.00 176.91 178.54 3i4j s GLN 345 N -6.00 0.08 -0.12 1.72 -0.21 -0.96 -4.98 119.66 109.19 3i4j s GLN 345 Ca -0.12 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.18 3i4j s GLN 345 Cb 0.21 0.03 0.02 0.00 1.00 0.00 0.00 33.01 34.27 3i4j s GLN 345 CO 0.77 -0.01 -0.12 0.08 -2.12 0.00 0.00 175.29 173.89 3i4j s VAL 346 N -0.26 1.31 0.15 1.09 1.01 -1.26 -0.27 120.40 122.16 3i4j s VAL 346 Ca -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3i4j s VAL 346 Cb -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3i4j s VAL 346 CO -0.00 0.41 -0.12 -0.13 0.00 0.00 0.00 175.10 175.26 3i4j s ARG 347 N 1.37 1.08 -0.29 2.72 0.52 -0.09 -4.99 118.95 119.26 3i4j s ARG 347 Ca 0.00 -1.39 -0.24 0.00 -0.52 0.00 0.00 55.73 53.58 3i4j s ARG 347 Cb -0.13 -0.78 0.16 0.00 0.52 0.00 0.00 34.95 34.72 3i4j s ARG 347 CO -0.06 0.12 1.23 0.20 0.02 0.00 0.00 175.30 176.81 3i4j s GLY 348 N -2.93 0.12 -0.21 -3.53 0.00 -1.26 -1.00 107.32 98.51 3i4j s GLY 348 Ca 0.14 3.14 -0.03 0.00 0.00 0.00 0.00 44.72 47.97 3i4j s GLY 348 CO 0.02 1.95 0.06 -1.59 0.00 0.00 0.00 173.10 173.54 3i4j s THR 349 N 0.21 0.39 0.00 0.90 2.01 -0.66 -5.01 115.64 113.48 3i4j s THR 349 Ca 0.04 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3i4j s THR 349 Cb -0.05 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.47 3i4j s THR 349 CO -0.11 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.12 3i4j n GLY 350 N 5.09 2.82 2.04 4.40 0.00 -1.25 -2.22 105.19 116.07 3i4j n GLY 350 Ca -0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 3i4j n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4j n LEU 351 N 0.00 6.16 -4.12 0.99 4.77 0.04 -4.33 117.00 120.51 3i4j n LEU 351 Ca 0.00 -3.28 -0.34 0.00 -0.03 0.00 0.00 56.01 52.36 3i4j n LEU 351 Cb 0.00 -0.79 -0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3i4j n LEU 351 CO 0.00 0.96 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.51 3i4j s LEU 352 N -2.79 4.52 0.20 2.23 2.96 -0.94 -4.18 118.68 120.67 3i4j s LEU 352 Ca 0.48 -1.71 0.08 0.00 -0.22 0.00 0.00 54.13 52.76 3i4j s LEU 352 Cb 0.41 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3i4j s LEU 352 CO 0.09 -0.38 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.82 3i4j s LEU 353 N 1.14 2.51 0.03 -0.68 1.02 -0.30 -1.65 118.68 120.74 3i4j s LEU 353 Ca 0.02 -0.96 -0.08 0.00 0.02 0.00 0.00 54.13 53.14 3i4j s LEU 353 Cb -0.21 -0.77 -0.00 0.00 0.02 0.00 0.00 46.19 45.23 3i4j s LEU 353 CO -0.04 -0.10 0.15 -0.83 0.02 0.00 0.00 176.35 175.55 3i4j s GLY 354 N -3.08 0.08 -0.11 -3.19 0.00 -0.17 -0.42 107.32 100.42 3i4j s GLY 354 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 3i4j s GLY 354 CO 0.07 -0.46 -0.07 0.14 0.00 0.00 0.00 173.10 172.79 3i4j s VAL 355 N -2.14 0.97 -0.22 1.40 1.01 -0.15 -0.91 120.40 120.35 3i4j s VAL 355 Ca -0.09 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3i4j s VAL 355 Cb -0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3i4j s VAL 355 CO -0.02 0.35 0.31 -0.69 0.00 0.00 0.00 175.10 175.04 3i4j s VAL 356 N 1.73 5.26 0.14 2.92 1.01 0.62 -1.29 120.40 130.80 3i4j s VAL 356 Ca 0.05 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.61 3i4j s VAL 356 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3i4j s VAL 356 CO -0.08 0.29 -0.03 -0.76 0.00 0.00 0.00 175.10 174.52 3i4j s LEU 357 N 1.20 3.26 -0.48 3.92 1.43 -0.59 -0.62 118.68 126.80 3i4j s LEU 357 Ca 0.15 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3i4j s LEU 357 Cb -0.14 -1.96 0.31 0.00 0.03 0.00 0.00 46.19 44.43 3i4j s LEU 357 CO 0.07 0.13 0.77 0.61 0.23 0.00 0.00 176.35 178.15 3i4j n GLY 358 N 0.21 4.31 0.00 -3.19 0.00 -0.83 -4.87 105.19 100.83 3i4j n GLY 358 Ca -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.72 3i4j n GLY 358 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i4j n ILE 371 N 0.39 0.00 -0.08 -0.61 0.13 -1.26 -5.02 119.36 112.91 3i4j n ILE 371 Ca 0.27 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.88 3i4j n ILE 371 Cb 0.51 0.00 0.19 0.00 -0.84 0.00 0.00 39.64 39.50 3i4j n ILE 371 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i4j h ALA 372 N 0.00 1.15 -0.63 1.51 0.00 -1.88 -2.13 119.26 117.28 3i4j h ALA 372 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3i4j h ALA 372 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i4j h ALA 372 CO 0.00 0.55 0.31 0.77 0.00 0.00 0.00 179.25 180.88 3i4j h SER 373 N 0.68 0.82 -0.17 0.00 0.02 -1.97 -0.55 113.55 112.36 3i4j h SER 373 Ca 0.13 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3i4j h SER 373 Cb 0.44 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3i4j h SER 373 CO 0.02 0.71 -0.23 0.03 -1.14 0.00 0.00 176.83 176.22 3i4j h ARG 374 N 0.86 0.62 -0.62 3.45 3.08 -1.93 -1.25 114.38 118.60 3i4j h ARG 374 Ca 0.22 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3i4j h ARG 374 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3i4j h ARG 374 CO -0.03 0.80 0.04 0.82 -1.07 0.00 0.00 179.97 180.53 3i4j h ILE 375 N 0.55 1.27 -0.75 2.04 2.04 -1.00 -0.28 117.51 121.38 3i4j h ILE 375 Ca 0.08 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3i4j h ILE 375 Cb 0.68 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3i4j h ILE 375 CO 0.05 0.41 0.33 1.23 0.00 0.00 0.00 178.15 180.17 3i4j h GLY 376 N 0.98 1.18 1.01 5.37 0.00 -0.74 0.21 103.07 111.07 3i4j h GLY 376 Ca 0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3i4j h GLY 376 CO 0.02 0.58 -0.05 0.00 0.00 0.00 0.00 176.54 177.09 3i4j h ALA 377 N 1.16 0.63 -0.27 3.60 0.00 -0.91 -0.44 119.26 123.04 3i4j h ALA 377 Ca 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3i4j h ALA 377 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i4j h ALA 377 CO -0.03 0.48 -0.20 0.00 0.00 0.00 0.00 179.25 179.50 3i4j h ALA 378 N 0.90 1.14 -0.38 0.00 0.00 -0.76 -2.17 119.26 117.99 3i4j h ALA 378 Ca 0.13 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3i4j h ALA 378 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i4j h ALA 378 CO 0.03 0.54 -0.30 0.00 0.00 0.00 0.00 179.25 179.53 3i4j h ALA 379 N 1.34 0.54 -0.68 0.00 0.00 -0.29 -2.78 119.26 117.39 3i4j h ALA 379 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3i4j h ALA 379 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3i4j h ALA 379 CO 0.04 0.58 0.22 1.25 0.00 0.00 0.00 179.25 181.34 3i4j h LEU 380 N 0.67 0.97 -1.75 0.00 5.85 -0.84 0.77 115.31 120.99 3i4j h LEU 380 Ca 0.07 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3i4j h LEU 380 Cb 0.88 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3i4j h LEU 380 CO 0.08 0.90 -0.13 0.50 -0.34 0.00 0.00 178.44 179.45 3i4j h LYS 381 N 1.01 0.00 -0.01 1.25 3.64 -1.31 -0.51 116.57 120.64 3i4j h LYS 381 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3i4j h LYS 381 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3i4j h LYS 381 CO -0.01 0.13 -0.14 0.54 -2.27 0.00 0.00 179.45 177.70 3i4j n ARG 382 N -4.35 1.02 -0.19 1.90 1.74 -0.56 -4.93 116.66 111.29 3i4j n ARG 382 Ca -0.03 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 3i4j n ARG 382 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3i4j n ARG 382 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4j n GLY 383 N 1.27 0.89 3.28 -0.13 0.00 -0.20 -5.00 105.19 105.29 3i4j n GLY 383 Ca 0.15 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3i4j n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4j s LEU 384 N 0.00 2.83 0.06 0.99 2.96 0.16 -0.03 118.68 125.65 3i4j s LEU 384 Ca 0.00 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.16 3i4j s LEU 384 Cb 0.00 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 3i4j s LEU 384 CO 0.00 -0.03 0.91 -0.63 -1.32 0.00 0.00 176.35 175.28 3i4j s ILE 385 N 1.44 4.68 0.30 6.68 -1.09 0.04 -2.98 121.20 130.27 3i4j s ILE 385 Ca 0.05 1.93 0.06 0.00 -2.23 0.00 0.00 60.65 60.47 3i4j s ILE 385 Cb -0.14 -4.26 -0.06 0.00 -1.58 0.00 0.00 42.46 36.42 3i4j s ILE 385 CO -0.05 0.28 -0.04 0.42 -1.23 0.00 0.00 174.94 174.33 3i4j s THR 386 N 0.29 1.63 0.00 2.92 -4.23 -1.26 -1.75 115.64 113.24 3i4j s THR 386 Ca 0.46 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3i4j s THR 386 Cb -0.22 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3i4j s THR 386 CO 0.27 -0.23 0.37 0.00 -0.54 0.00 0.00 174.62 174.49 3i4j n TYR 387 N -0.64 0.00 0.00 3.99 9.36 -1.23 -4.81 117.16 123.84 3i4j n TYR 387 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3i4j n TYR 387 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 3i4j n TYR 387 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3i4j n ASP 399 N -0.50 0.00 -4.30 2.98 5.68 -1.26 -4.91 116.55 114.23 3i4j n ASP 399 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 3i4j n ASP 399 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 3i4j n ASP 399 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3i4j s HIS 400 N -0.42 2.22 -0.16 2.11 3.76 -1.26 -1.55 115.29 119.99 3i4j s HIS 400 Ca 0.00 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 3i4j s HIS 400 Cb 0.00 -1.39 0.02 0.00 1.11 0.00 0.00 32.58 32.32 3i4j s HIS 400 CO 0.00 0.01 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.57 3i4j s LEU 401 N -0.80 1.89 -0.19 0.89 2.96 -0.41 -4.82 118.68 118.19 3i4j s LEU 401 Ca 0.10 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3i4j s LEU 401 Cb -0.10 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 3i4j s LEU 401 CO 0.00 -0.02 0.09 -0.22 -1.32 0.00 0.00 176.35 174.88 3i4j s LEU 402 N 1.35 3.97 0.07 -0.68 2.96 -1.26 -0.98 118.68 124.10 3i4j s LEU 402 Ca 0.04 0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 3i4j s LEU 402 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3i4j s LEU 402 CO -0.11 0.17 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.09 3i4j s LEU 403 N 0.43 2.21 -0.31 -0.68 1.43 0.44 -3.48 118.68 118.72 3i4j s LEU 403 Ca 0.05 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3i4j s LEU 403 Cb -0.12 -1.11 0.21 0.00 0.03 0.00 0.00 46.19 45.20 3i4j s LEU 403 CO -0.00 0.18 1.15 -0.83 0.23 0.00 0.00 176.35 177.08 3i4j s GLY 404 N -1.43 -1.91 0.92 -3.19 0.00 -0.17 -1.15 107.32 100.38 3i4j s GLY 404 Ca 0.10 0.97 -0.13 0.00 0.00 0.00 0.00 44.72 45.65 3i4j s GLY 404 CO 0.03 4.42 1.16 2.56 0.00 0.00 0.00 173.10 181.27 3i4j s PRO 405 N 1.28 1.10 0.36 2.90 0.04 -0.55 -2.41 135.00 137.73 3i4j s PRO 405 Ca 0.20 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 3i4j s PRO 405 Cb 0.12 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.70 3i4j s PRO 405 CO -0.13 -2.20 1.22 -2.30 0.04 0.00 0.00 177.00 173.63 3i4j n PRO 406 N -3.74 1.91 0.24 0.56 -0.02 -1.26 -4.78 135.00 127.91 3i4j n PRO 406 Ca 0.08 0.67 0.17 0.00 -2.02 0.00 0.00 63.50 62.40 3i4j n PRO 406 Cb 0.60 -2.26 0.86 0.00 -0.02 0.00 0.00 33.50 32.68 3i4j n PRO 406 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i4j h LEU 407 N 2.27 0.00 -1.13 2.45 4.07 -1.13 -0.90 115.31 120.95 3i4j h LEU 407 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3i4j h LEU 407 Cb 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3i4j h LEU 407 CO 0.61 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.43 3i4j n SER 408 N -2.67 1.67 -4.76 -0.43 3.41 -1.25 -4.42 113.62 105.17 3i4j n SER 408 Ca -0.02 -1.81 -0.39 0.00 -0.26 0.00 0.00 58.87 56.39 3i4j n SER 408 Cb 0.09 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3i4j n SER 408 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3i4j s ILE 409 N -1.70 2.25 0.51 -1.33 2.07 -0.34 -5.00 121.20 117.66 3i4j s ILE 409 Ca 0.28 0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 3i4j s ILE 409 Cb 0.15 -3.12 0.01 0.00 0.13 0.00 0.00 42.46 39.63 3i4j s ILE 409 CO 0.22 0.02 0.76 0.42 -1.91 0.00 0.00 174.94 174.45 3i4j s THR 410 N -1.27 3.59 0.24 4.00 -4.23 -1.26 -4.94 115.64 111.78 3i4j s THR 410 Ca 0.63 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 3i4j s THR 410 Cb -0.41 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.31 3i4j s THR 410 CO 0.51 -0.29 1.90 0.00 -0.54 0.00 0.00 174.62 176.20 3i4j h ALA 411 N 0.16 1.22 -0.55 3.99 0.00 -2.00 -0.90 119.26 121.19 3i4j h ALA 411 Ca -0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3i4j h ALA 411 Cb 1.26 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3i4j h ALA 411 CO 0.57 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.57 3i4j h ALA 412 N 1.33 1.12 0.00 0.00 0.00 -2.00 -2.46 119.26 117.25 3i4j h ALA 412 Ca 0.35 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i4j h ALA 412 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3i4j h ALA 412 CO -0.07 0.58 -0.53 0.93 0.00 0.00 0.00 179.25 180.16 3i4j h GLU 413 N 0.83 0.00 -0.40 0.00 5.08 -1.74 -1.67 114.58 116.68 3i4j h GLU 413 Ca 0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3i4j h GLU 413 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3i4j h GLU 413 CO 0.01 0.53 0.00 0.28 -1.00 0.00 0.00 179.01 178.83 3i4j h VAL 414 N 0.00 1.26 -0.46 3.13 2.07 -0.81 -0.29 116.25 121.15 3i4j h VAL 414 Ca -0.01 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3i4j h VAL 414 Cb 0.99 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3i4j h VAL 414 CO 0.07 0.34 0.13 0.44 0.02 0.00 0.00 177.57 178.57 3i4j h ASP 415 N 0.53 0.63 -0.52 0.57 3.32 -1.18 -0.90 116.42 118.86 3i4j h ASP 415 Ca 0.11 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3i4j h ASP 415 Cb 0.47 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3i4j h ASP 415 CO 0.02 0.62 -0.02 1.23 -1.72 0.00 0.00 179.24 179.37 3i4j h GLY 416 N 0.87 1.05 0.96 2.75 0.00 -0.89 -1.13 103.07 106.68 3i4j h GLY 416 Ca 0.16 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3i4j h GLY 416 CO -0.01 0.71 0.19 -2.00 0.00 0.00 0.00 176.54 175.43 3i4j h LEU 417 N 0.89 0.61 -1.15 3.11 6.46 -0.28 -2.12 115.31 122.83 3i4j h LEU 417 Ca 0.16 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3i4j h LEU 417 Cb 0.55 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3i4j h LEU 417 CO 0.03 0.60 0.11 -0.07 -0.62 0.00 0.00 178.44 178.49 3i4j h LEU 418 N 0.58 0.65 -0.52 2.25 3.38 -0.93 -0.83 115.31 119.90 3i4j h LEU 418 Ca 0.15 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3i4j h LEU 418 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i4j h LEU 418 CO -0.01 0.66 -0.10 0.00 0.09 0.00 0.00 178.44 179.07 3i4j h ALA 419 N 1.43 0.71 -0.37 1.53 0.00 -0.91 0.20 119.26 121.85 3i4j h ALA 419 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3i4j h ALA 419 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i4j h ALA 419 CO -0.00 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.73 3i4j h LEU 420 N 0.85 0.68 -0.58 0.00 3.38 -1.07 -2.34 115.31 116.22 3i4j h LEU 420 Ca 0.13 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3i4j h LEU 420 Cb 0.66 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3i4j h LEU 420 CO 0.05 0.87 0.24 0.25 0.09 0.00 0.00 178.44 179.93 3i4j h LEU 421 N 0.49 0.80 -0.88 1.67 5.85 -1.02 -1.66 115.31 120.56 3i4j h LEU 421 Ca 0.10 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3i4j h LEU 421 Cb 0.55 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3i4j h LEU 421 CO 0.03 0.75 0.55 0.00 -0.34 0.00 0.00 178.44 179.43 3i4j h ALA 422 N 1.08 1.20 -0.63 1.25 0.00 -0.86 0.91 119.26 122.21 3i4j h ALA 422 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3i4j h ALA 422 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i4j h ALA 422 CO -0.02 0.32 0.14 0.78 0.00 0.00 0.00 179.25 180.47 3i4j h GLY 423 N 1.01 1.10 1.15 0.00 0.00 -0.93 -1.05 103.07 104.35 3i4j h GLY 423 Ca 0.38 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 3i4j h GLY 423 CO -0.16 0.66 0.02 0.00 0.00 0.00 0.00 176.54 177.06 3i4j h ALA 424 N 1.04 0.91 -0.47 3.60 0.00 -0.50 -1.64 119.26 122.21 3i4j h ALA 424 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3i4j h ALA 424 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i4j h ALA 424 CO 0.01 0.65 0.15 -0.07 0.00 0.00 0.00 179.25 179.99 3i4j h LEU 425 N 0.95 0.68 -0.93 0.00 3.38 -0.59 -2.35 115.31 116.44 3i4j h LEU 425 Ca 0.17 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3i4j h LEU 425 Cb 0.51 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3i4j h LEU 425 CO 0.02 0.70 0.21 -0.08 0.09 0.00 0.00 178.44 179.39 3i4j h GLU 426 N 0.62 1.00 -0.66 1.13 4.57 -0.99 0.79 114.58 121.04 3i4j h GLU 426 Ca 0.15 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3i4j h GLU 426 Cb 0.26 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3i4j h GLU 426 CO -0.01 0.85 0.42 -0.44 -1.18 0.00 0.00 179.01 178.66 3i4j h ASP 427 N 0.97 0.71 0.33 1.04 3.32 -1.00 -3.24 116.42 118.55 3i4j h ASP 427 Ca 0.22 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.93 3i4j h ASP 427 Cb 0.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3i4j h ASP 427 CO -0.01 0.50 -1.78 0.58 -1.72 0.00 0.00 179.24 176.81 3i4j h VAL 428 N 0.85 0.83 -0.02 -1.35 2.07 -1.06 -3.52 116.25 114.04 3i4j h VAL 428 Ca 0.25 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3i4j h VAL 428 Cb -0.04 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3i4j h VAL 428 CO -0.08 0.74 0.00 0.18 0.02 0.00 0.00 177.57 178.43