#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 4.75 -0.84 2.41 1.01 -1.26 -4.99 120.40 121.49 3i4j s VAL 4 Ca 0.00 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 3i4j s VAL 4 Cb 0.00 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.35 3i4j s VAL 4 CO 0.00 0.35 1.16 0.12 0.00 0.00 0.00 175.10 176.73 3i4j s PHE 5 N 0.02 2.75 0.71 5.22 5.99 -1.26 -5.01 117.98 126.41 3i4j s PHE 5 Ca 0.39 -0.85 -0.13 0.00 0.00 0.00 0.00 56.93 56.34 3i4j s PHE 5 Cb -0.20 -4.41 0.03 0.00 0.00 0.00 0.00 43.02 38.43 3i4j s PHE 5 CO 0.23 -1.70 1.11 0.71 -0.00 0.00 0.00 175.22 175.56 3i4j s TYR 6 N 3.97 2.57 0.21 10.12 2.02 -1.26 -4.94 117.35 130.05 3i4j s TYR 6 Ca 0.32 1.56 0.22 0.00 -0.37 0.00 0.00 57.07 58.80 3i4j s TYR 6 Cb -0.08 -3.13 0.89 0.00 -0.40 0.00 0.00 41.96 39.24 3i4j s TYR 6 CO -0.00 -1.77 1.83 0.00 -1.57 0.00 0.00 175.55 174.03 3i4j h ARG 7 N -0.46 0.00 0.00 -0.62 3.08 -1.95 -3.47 114.38 110.97 3i4j h ARG 7 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 3i4j h ARG 7 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3i4j h ARG 7 CO 0.53 0.28 0.26 -1.13 -1.07 0.00 0.00 179.97 178.84 3i4j n SER 8 N -3.54 -2.06 0.17 7.04 3.41 -1.26 -5.04 113.62 112.34 3i4j n SER 8 Ca -0.00 -2.41 0.13 0.00 -0.26 0.00 0.00 58.87 56.33 3i4j n SER 8 Cb 0.43 3.42 0.42 0.00 -0.26 0.00 0.00 64.21 68.22 3i4j n SER 8 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i4j h SER 9 N 1.79 0.00 -3.90 4.04 4.64 -2.04 -3.46 113.55 114.61 3i4j h SER 9 Ca -0.30 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.54 3i4j h SER 9 Cb 1.12 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.38 3i4j h SER 9 CO 0.38 0.00 0.18 -1.59 -0.87 0.00 0.00 176.83 174.93 3i4j s LYS 10 N -3.28 0.62 0.28 4.77 -2.85 -1.26 -4.96 119.74 113.06 3i4j s LYS 10 Ca 0.07 0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 55.71 3i4j s LYS 10 Cb 0.09 -1.72 -0.10 0.00 -2.06 0.00 0.00 37.83 34.04 3i4j s LYS 10 CO 0.55 -2.72 1.20 -1.25 0.10 0.00 0.00 175.35 173.23 3i4j s PRO 11 N -4.76 4.51 -0.47 1.78 0.04 -1.26 -5.01 135.00 129.83 3i4j s PRO 11 Ca 0.65 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.69 3i4j s PRO 11 Cb -0.21 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.32 3i4j s PRO 11 CO 0.59 0.01 0.28 0.71 0.04 0.00 0.00 177.00 178.63 3i4j s TYR 12 N -0.92 2.16 0.39 0.56 2.02 -1.26 -5.11 117.35 115.19 3i4j s TYR 12 Ca 0.48 -2.57 -0.25 0.00 -0.37 0.00 0.00 57.07 54.36 3i4j s TYR 12 Cb -0.35 -1.96 -0.11 0.00 -0.40 0.00 0.00 41.96 39.14 3i4j s TYR 12 CO 0.44 -0.76 1.02 -0.35 -1.57 0.00 0.00 175.55 174.34 3i4j n PRO 13 N 3.27 1.39 -2.81 -1.71 -0.04 -1.26 -4.90 135.00 128.95 3i4j n PRO 13 Ca 0.12 0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 63.65 3i4j n PRO 13 Cb 0.36 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3i4j n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i4j s VAL 14 N -1.23 4.53 0.28 0.52 1.01 -1.26 -5.01 120.40 119.23 3i4j s VAL 14 Ca 0.62 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 3i4j s VAL 14 Cb -0.58 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.32 3i4j s VAL 14 CO 0.58 -0.67 0.96 0.00 0.00 0.00 0.00 175.10 175.97 3i4j s ALA 15 N 3.62 3.29 0.00 5.51 0.00 -1.26 -0.53 121.76 132.39 3i4j s ALA 15 Ca 0.38 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3i4j s ALA 15 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i4j s ALA 15 CO 0.22 0.16 0.00 1.33 0.00 0.00 0.00 175.76 177.47 3i4j n VAL 16 N 1.11 0.00 -3.81 0.00 0.24 0.18 -4.80 118.33 111.23 3i4j n VAL 16 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3i4j n VAL 16 Cb 0.48 -0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.50 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 -1.55 0.40 -0.05 7.34 3.52 -0.93 -5.02 118.95 122.66 3i4j s ARG 17 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3i4j s ARG 17 Cb 0.00 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 3i4j s ARG 17 CO 0.00 -0.08 -0.02 0.20 -0.81 0.00 0.00 175.30 174.58 3i4j s GLY 18 N -0.61 0.42 -0.11 8.12 0.00 -1.26 -0.03 107.32 113.85 3i4j s GLY 18 Ca -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 3i4j s GLY 18 CO 0.01 0.68 0.13 1.85 0.00 0.00 0.00 173.10 175.77 3i4j s GLU 19 N 1.26 0.03 7.73 2.90 2.12 0.74 -3.13 118.70 130.35 3i4j s GLU 19 Ca -0.06 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.60 3i4j s GLU 19 Cb -0.14 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.46 3i4j s GLU 19 CO -0.02 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 3i4j n GLY 20 N 5.31 3.13 1.23 -1.50 0.00 -0.11 -1.46 105.19 111.78 3i4j n GLY 20 Ca -0.05 -0.17 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 0.83 -4.37 1.61 0.24 -1.26 0.04 118.33 115.42 3i4j n VAL 21 Ca 0.00 -0.87 -0.32 0.00 -2.04 0.00 0.00 64.34 61.11 3i4j n VAL 21 Cb 0.00 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.17 2.89 0.07 6.34 0.08 -0.54 -0.19 117.98 125.46 3i4j s PHE 22 Ca 0.44 -0.05 0.09 0.00 0.12 0.00 0.00 56.93 57.54 3i4j s PHE 22 Cb 0.24 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 3i4j s PHE 22 CO 0.31 0.40 -0.24 -0.51 -0.10 0.00 0.00 175.22 175.08 3i4j s LEU 23 N -1.67 2.22 -0.04 -0.37 1.43 -0.43 -0.19 118.68 119.63 3i4j s LEU 23 Ca 0.19 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3i4j s LEU 23 Cb -0.11 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3i4j s LEU 23 CO 0.10 0.19 -0.08 -0.31 0.23 0.00 0.00 176.35 176.48 3i4j s TYR 24 N -0.91 0.95 0.54 0.29 2.02 0.95 -0.40 117.35 120.79 3i4j s TYR 24 Ca 0.10 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 3i4j s TYR 24 Cb -0.10 -0.72 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 3i4j s TYR 24 CO 0.03 -0.15 0.74 0.16 -1.57 0.00 0.00 175.55 174.77 3i4j s ASP 25 N 0.45 5.23 0.00 2.29 1.47 -0.72 -0.65 116.67 124.74 3i4j s ASP 25 Ca -0.07 -0.36 0.10 0.00 1.18 0.00 0.00 52.55 53.39 3i4j s ASP 25 Cb -0.11 -0.45 0.52 0.00 -0.34 0.00 0.00 42.92 42.55 3i4j s ASP 25 CO 0.01 -1.16 1.18 -0.90 0.68 0.00 0.00 175.17 174.97 3i4j n ASP 26 N -2.23 0.00 -1.02 2.11 5.75 0.31 -0.97 116.55 120.50 3i4j n ASP 26 Ca 0.11 0.06 0.12 0.00 -0.01 0.00 0.00 54.79 55.06 3i4j n ASP 26 Cb 0.60 -0.23 0.20 0.00 -1.03 0.00 0.00 41.12 40.66 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 -1.23 2.45 -0.05 2.12 0.00 -1.26 -4.95 120.51 117.59 3i4j n ALA 27 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3i4j n ALA 27 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.41 1.76 3.76 0.00 0.00 -0.14 -5.04 105.19 106.95 3i4j n GLY 28 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3i4j n GLY 28 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i4j s ARG 29 N -0.39 3.67 -0.00 1.61 3.52 -1.26 -4.76 118.95 121.34 3i4j s ARG 29 Ca 0.00 2.00 0.05 0.00 -0.13 0.00 0.00 55.73 57.65 3i4j s ARG 29 Cb 0.00 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 3i4j s ARG 29 CO 0.00 -0.69 -0.15 0.50 -0.81 0.00 0.00 175.30 174.15 3i4j s ARG 30 N -2.60 2.31 0.01 5.12 3.52 -1.26 -1.76 118.95 124.28 3i4j s ARG 30 Ca 0.63 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.44 3i4j s ARG 30 Cb -0.34 -2.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 3i4j s ARG 30 CO 0.42 0.58 -0.11 0.71 -0.81 0.00 0.00 175.30 176.09 3i4j s TYR 31 N -0.85 1.00 -0.28 5.12 2.02 0.47 -4.75 117.35 120.08 3i4j s TYR 31 Ca 0.14 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.41 3i4j s TYR 31 Cb -0.11 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.81 3i4j s TYR 31 CO 0.04 -0.01 0.52 -1.17 -1.57 0.00 0.00 175.55 173.36 3i4j s LEU 32 N -0.59 4.10 -1.24 -1.29 0.20 0.11 -1.32 118.68 118.65 3i4j s LEU 32 Ca 0.02 0.42 -0.19 0.00 0.69 0.00 0.00 54.13 55.07 3i4j s LEU 32 Cb -0.05 -2.66 -0.00 0.00 -0.43 0.00 0.00 46.19 43.05 3i4j s LEU 32 CO 0.00 -0.33 1.88 -0.67 -0.29 0.00 0.00 176.35 176.94 3i4j n ASP 33 N 5.60 4.04 0.17 3.68 -0.08 0.73 -0.99 116.55 129.70 3i4j n ASP 33 Ca -0.04 -2.82 0.13 0.00 -1.51 0.00 0.00 54.79 50.55 3i4j n ASP 33 Cb 0.50 -1.68 0.59 0.00 2.34 0.00 0.00 41.12 42.87 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 13.78 0.00 -0.06 0.27 0.00 -1.66 -2.80 103.07 112.62 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 1.50 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 176.87 3i4j n SER 35 N -2.40 1.83 -4.07 0.19 3.41 -1.14 -1.07 113.62 110.37 3i4j n SER 35 Ca 0.01 -2.28 -0.33 0.00 -0.26 0.00 0.00 58.87 56.00 3i4j n SER 35 Cb 0.17 -0.16 -0.00 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 -0.74 -3.82 0.00 4.04 7.64 -1.00 0.69 113.62 120.42 3i4j n SER 36 Ca 0.05 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3i4j n SER 36 Cb 0.43 -3.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 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 1.95 2.60 0.23 0.00 -1.26 -1.25 105.19 105.91 3i4j n GLY 37 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 3.46 4.09 -3.80 4.61 0.00 -1.21 -4.57 120.51 123.11 3i4j n ALA 38 Ca 0.00 -4.02 -0.23 0.00 0.00 0.00 0.00 53.44 49.19 3i4j n ALA 38 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.20 -2.78 -0.04 0.00 4.32 0.22 -4.92 117.00 113.59 3i4j n LEU 39 Ca 0.28 -0.88 -0.10 0.00 -0.02 0.00 0.00 56.01 55.29 3i4j n LEU 39 Cb 0.62 -2.51 -0.03 0.00 -1.62 0.00 0.00 43.42 39.88 3i4j n LEU 39 CO 0.30 0.42 -0.73 0.52 -1.22 0.00 0.00 177.39 176.68 3i4j n VAL 40 N -4.33 0.84 -0.95 4.08 0.31 -0.38 -4.37 118.33 113.52 3i4j n VAL 40 Ca -0.29 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 3i4j n VAL 40 Cb 0.67 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 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 -3.63 5.04 0.28 3.52 0.00 -0.80 -3.76 120.51 121.15 3i4j n ALA 41 Ca -0.18 -2.54 0.14 0.00 0.00 0.00 0.00 53.44 50.86 3i4j n ALA 41 Cb 0.54 -3.18 0.87 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.25 0.00 4.21 -1.88 -2.85 115.58 121.12 3i4j h ASN 42 Ca 0.55 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.06 3i4j h ASN 42 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3i4j h ASN 42 CO 1.60 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 180.04 3i4j n ILE 43 N -3.95 1.71 0.00 2.81 -5.35 -1.26 -0.59 119.36 112.73 3i4j n ILE 43 Ca -0.02 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3i4j n ILE 43 Cb 0.11 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 -0.24 -0.83 3.92 3.28 0.00 -1.07 -4.78 105.19 105.47 3i4j n GLY 44 Ca 0.16 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.04 3.49 -0.19 1.61 0.09 0.11 -4.62 115.29 113.75 3i4j s HIS 45 Ca 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 55.06 55.42 3i4j s HIS 45 Cb 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 32.58 30.72 3i4j s HIS 45 CO 0.00 0.48 0.03 0.41 -0.00 0.00 0.00 174.74 175.66 3i4j n GLY 46 N -0.08 0.38 3.55 -2.22 0.00 -1.18 -0.93 105.19 104.70 3i4j n GLY 46 Ca -0.04 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.32 3.13 0.53 1.61 1.81 -1.26 -4.82 118.95 115.62 3i4j s ARG 47 Ca 0.01 -0.19 0.24 0.00 -1.72 0.00 0.00 55.73 54.07 3i4j s ARG 47 Cb -0.01 -4.33 1.47 0.00 -0.45 0.00 0.00 34.95 31.64 3i4j s ARG 47 CO 0.02 -2.26 2.14 0.00 -0.68 0.00 0.00 175.30 174.51 3i4j h ALA 48 N 10.78 1.58 -0.22 2.13 0.00 -1.99 -2.18 119.26 129.36 3i4j h ALA 48 Ca -0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i4j h ALA 48 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i4j h ALA 48 CO 1.28 0.08 0.13 1.49 0.00 0.00 0.00 179.25 182.23 3i4j h GLU 49 N 0.00 0.25 -0.62 0.00 4.81 -2.00 -0.25 114.58 116.77 3i4j h GLU 49 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3i4j h GLU 49 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3i4j h GLU 49 CO 0.01 0.17 0.02 0.28 -0.73 0.00 0.00 179.01 178.76 3i4j h VAL 50 N 0.26 1.27 -0.61 0.32 2.07 -1.77 -2.38 116.25 115.41 3i4j h VAL 50 Ca 0.09 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.48 3i4j h VAL 50 Cb -0.00 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3i4j h VAL 50 CO -0.04 0.42 0.40 1.23 0.02 0.00 0.00 177.57 179.59 3i4j h GLY 51 N 1.00 0.86 1.47 2.17 0.00 -1.11 -1.25 103.07 106.21 3i4j h GLY 51 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3i4j h GLY 51 CO 0.03 0.30 0.06 0.83 0.00 0.00 0.00 176.54 177.76 3i4j h GLU 52 N 0.81 0.66 -0.35 4.80 4.39 -0.84 -0.40 114.58 123.66 3i4j h GLU 52 Ca 0.23 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 3i4j h GLU 52 Cb -0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3i4j h GLU 52 CO -0.06 0.64 -0.35 0.00 -1.16 0.00 0.00 179.01 178.08 3i4j h ARG 53 N 0.64 0.79 -0.47 2.33 2.47 -0.89 -1.31 114.38 117.93 3i4j h ARG 53 Ca 0.14 -0.39 -0.13 0.00 -1.26 0.00 0.00 59.98 58.34 3i4j h ARG 53 Cb 0.31 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3i4j h ARG 53 CO 0.00 1.01 -0.22 0.52 0.56 0.00 0.00 179.97 181.85 3i4j h MET 54 N 0.66 0.97 -0.64 0.04 2.86 -0.89 -2.28 114.93 115.65 3i4j h MET 54 Ca 0.06 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3i4j h MET 54 Cb 0.90 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 3i4j h MET 54 CO 0.08 1.08 0.34 0.00 1.06 0.00 0.00 176.91 179.47 3i4j h ALA 55 N 0.90 0.83 -0.73 6.32 0.00 -0.88 0.28 119.26 125.98 3i4j h ALA 55 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i4j h ALA 55 Cb 0.79 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3i4j h ALA 55 CO 0.07 0.36 0.27 0.00 0.00 0.00 0.00 179.25 179.94 3i4j h ALA 56 N 1.16 1.10 -0.39 0.00 0.00 -1.11 -1.63 119.26 118.38 3i4j h ALA 56 Ca 0.22 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3i4j h ALA 56 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i4j h ALA 56 CO -0.03 0.63 -0.36 0.37 0.00 0.00 0.00 179.25 179.86 3i4j h GLN 57 N 1.06 0.93 -0.91 0.00 5.75 -0.92 -1.78 115.11 119.25 3i4j h GLN 57 Ca 0.24 -0.48 -0.01 0.00 -0.15 0.00 0.00 58.65 58.25 3i4j h GLN 57 Cb 0.23 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 3i4j h GLN 57 CO -0.02 1.14 0.52 0.00 -2.65 0.00 0.00 178.83 177.82 3i4j h ALA 58 N 0.78 1.16 0.00 3.38 0.00 -0.64 0.16 119.26 124.10 3i4j h ALA 58 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i4j h ALA 58 Cb 0.95 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i4j h ALA 58 CO 0.09 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.72 3i4j h ALA 59 N 1.28 0.93 0.00 0.00 0.00 -1.18 -3.32 119.26 116.97 3i4j h ALA 59 Ca 0.32 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 3i4j h ALA 59 Cb -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i4j h ALA 59 CO -0.05 0.34 -1.33 -2.13 0.00 0.00 0.00 179.25 176.07 3i4j n ARG 60 N -3.31 0.54 -3.17 0.00 0.63 -0.68 -4.94 116.66 105.73 3i4j n ARG 60 Ca 0.01 0.46 0.02 0.00 -0.92 0.00 0.00 57.85 57.42 3i4j n ARG 60 Cb 0.51 -1.65 -0.01 0.00 0.45 0.00 0.00 32.46 31.77 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 -7.88 -1.47 0.12 6.15 2.96 0.50 -5.05 118.68 114.01 3i4j s LEU 61 Ca -0.28 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.02 3i4j s LEU 61 Cb 0.07 1.88 -0.11 0.00 0.50 0.00 0.00 46.19 48.52 3i4j s LEU 61 CO 0.47 -0.18 1.29 1.55 -1.32 0.00 0.00 176.35 178.16 3i4j h PRO 62 N 7.07 0.39 -2.97 0.98 0.13 -1.64 -3.41 132.00 132.56 3i4j h PRO 62 Ca 0.03 -0.44 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 3i4j h PRO 62 Cb 1.19 0.13 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 3i4j h PRO 62 CO 0.09 1.11 -0.35 0.12 -0.23 0.00 0.00 178.00 178.74 3i4j s PHE 63 N -3.21 -0.35 -0.06 1.56 5.36 -1.26 -3.53 117.98 116.49 3i4j s PHE 63 Ca -0.06 0.85 -0.13 0.00 -0.96 0.00 0.00 56.93 56.64 3i4j s PHE 63 Cb 0.09 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.91 3i4j s PHE 63 CO 0.87 -0.17 0.31 0.14 -1.46 0.00 0.00 175.22 174.90 3i4j s VAL 64 N 0.25 0.03 -0.10 3.12 -7.23 -1.26 -5.03 120.40 110.19 3i4j s VAL 64 Ca -0.01 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 3i4j s VAL 64 Cb -0.03 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 3i4j s VAL 64 CO -0.00 -0.16 0.39 -2.28 -0.31 0.00 0.00 175.10 172.73 3i4j s HIS 65 N -0.71 3.56 0.61 2.82 2.46 -1.26 -4.76 115.29 118.01 3i4j s HIS 65 Ca -0.08 0.81 0.35 0.00 0.47 0.00 0.00 55.06 56.61 3i4j s HIS 65 Cb -0.04 -2.39 1.88 0.00 -0.13 0.00 0.00 32.58 31.90 3i4j s HIS 65 CO 0.03 0.35 2.05 0.78 -2.47 0.00 0.00 174.74 175.48 3i4j h GLY 66 N 6.06 0.00 1.96 1.59 0.00 -1.75 0.41 103.07 111.33 3i4j h GLY 66 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i4j h GLY 66 CO 0.71 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 176.08 3i4j n SER 67 N -2.90 0.42 -0.05 0.19 3.41 -1.26 -4.21 113.62 109.22 3i4j n SER 67 Ca -0.02 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3i4j n SER 67 Cb 0.25 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.88 0.24 -3.95 4.33 6.02 0.03 -5.09 117.38 117.08 3i4j n GLN 68 Ca 0.06 0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 3i4j n GLN 68 Cb 0.39 -1.06 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 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 -2.20 0.23 0.24 1.08 0.08 -0.59 -5.04 117.98 111.79 3i4j s PHE 69 Ca -0.14 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.40 3i4j s PHE 69 Cb 0.04 -0.17 0.04 0.00 -0.57 0.00 0.00 43.02 42.36 3i4j s PHE 69 CO 0.21 -0.34 0.30 0.45 -0.10 0.00 0.00 175.22 175.74 3i4j n SER 70 N 0.85 1.04 -3.94 1.36 2.88 -1.26 -4.09 113.62 110.47 3i4j n SER 70 Ca -0.19 -1.66 -0.09 0.00 -1.33 0.00 0.00 58.87 55.60 3i4j n SER 70 Cb 0.58 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.44 0.22 0.29 -3.46 1.04 -1.26 -5.04 113.70 103.04 3i4j s SER 71 Ca 0.22 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.03 3i4j s SER 71 Cb -0.02 0.24 0.44 0.00 0.10 0.00 0.00 66.02 66.78 3i4j s SER 71 CO 0.14 -0.57 1.79 -2.24 0.98 0.00 0.00 173.24 173.35 3i4j h ASP 72 N 3.40 0.63 -0.10 7.02 2.03 -2.00 -1.48 116.42 125.91 3i4j h ASP 72 Ca -0.33 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 55.73 3i4j h ASP 72 Cb 1.18 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 3i4j h ASP 72 CO 0.54 0.72 -0.22 -0.37 -1.03 0.00 0.00 179.24 178.88 3i4j h VAL 73 N 0.62 1.26 -0.26 4.15 -1.51 -1.96 -0.55 116.25 118.00 3i4j h VAL 73 Ca 0.12 -1.24 -0.16 0.00 -1.23 0.00 0.00 66.70 64.19 3i4j h VAL 73 Cb 0.44 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3i4j h VAL 73 CO 0.02 0.40 -0.47 0.25 -1.23 0.00 0.00 177.57 176.54 3i4j h LEU 74 N 0.47 0.87 -0.70 4.19 5.85 -1.82 0.30 115.31 124.47 3i4j h LEU 74 Ca 0.07 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3i4j h LEU 74 Cb 0.65 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3i4j h LEU 74 CO 0.05 1.24 0.46 -0.33 -0.34 0.00 0.00 178.44 179.51 3i4j h GLU 75 N 0.54 0.92 0.24 1.25 4.39 -1.03 0.13 114.58 121.02 3i4j h GLU 75 Ca 0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3i4j h GLU 75 Cb 1.07 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3i4j h GLU 75 CO 0.11 0.62 -0.11 1.49 -1.16 0.00 0.00 179.01 179.95 3i4j h GLU 76 N 0.95 -0.31 -0.73 2.33 4.81 -0.98 -3.07 114.58 117.58 3i4j h GLU 76 Ca 0.26 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3i4j h GLU 76 Cb -0.10 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3i4j h GLU 76 CO -0.05 -0.03 0.47 -0.92 -0.73 0.00 0.00 179.01 177.74 3i4j h TYR 77 N -0.57 0.88 -0.54 0.92 3.20 -0.77 -1.96 116.97 118.13 3i4j h TYR 77 Ca -0.03 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.94 3i4j h TYR 77 Cb 0.42 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 3i4j h TYR 77 CO 0.01 0.52 0.17 0.00 -1.64 0.00 0.00 178.16 177.22 3i4j h ALA 78 N 1.30 0.65 -0.28 1.82 0.00 -0.76 0.98 119.26 122.98 3i4j h ALA 78 Ca 0.29 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i4j h ALA 78 Cb -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i4j h ALA 78 CO -0.09 -0.24 -0.11 0.78 0.00 0.00 0.00 179.25 179.59 3i4j h GLY 79 N 0.34 0.61 1.00 0.00 0.00 -1.39 -2.05 103.07 101.57 3i4j h GLY 79 Ca 0.27 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3i4j h GLY 79 CO -0.29 0.48 0.35 3.21 0.00 0.00 0.00 176.54 180.30 3i4j h ARG 80 N 0.31 0.80 -0.07 4.80 2.47 -0.90 -1.92 114.38 119.86 3i4j h ARG 80 Ca 0.06 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3i4j h ARG 80 Cb 0.61 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3i4j h ARG 80 CO 0.04 0.58 0.00 1.25 0.56 0.00 0.00 179.97 182.39 3i4j h LEU 81 N 0.79 0.12 -0.63 3.04 5.85 -0.83 -1.40 115.31 122.26 3i4j h LEU 81 Ca 0.21 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3i4j h LEU 81 Cb -0.02 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3i4j h LEU 81 CO -0.04 0.39 0.26 0.00 -0.34 0.00 0.00 178.44 178.70 3i4j h ALA 82 N 0.74 0.83 -0.31 1.25 0.00 -1.28 -1.76 119.26 118.73 3i4j h ALA 82 Ca 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i4j h ALA 82 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i4j h ALA 82 CO 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.10 3i4j h ARG 83 N 0.45 0.54 -0.77 0.00 3.08 -1.25 -0.66 114.38 115.76 3i4j h ARG 83 Ca 0.32 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3i4j h ARG 83 Cb 0.38 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3i4j h ARG 83 CO -0.30 0.68 0.47 0.35 -1.07 0.00 0.00 179.97 180.10 3i4j h PHE 84 N 0.34 0.88 -0.00 3.04 3.57 -0.62 -2.39 116.94 121.77 3i4j h PHE 84 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3i4j h PHE 84 Cb 0.43 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3i4j h PHE 84 CO 0.03 0.46 -0.00 1.33 -2.23 0.00 0.00 178.31 177.91 3i4j n VAL 85 N -4.66 0.00 -0.81 1.41 0.24 -0.72 -4.80 118.33 108.99 3i4j n VAL 85 Ca 0.10 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3i4j n VAL 85 Cb 0.14 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 1.04 0.51 2.58 7.63 0.00 -0.90 -4.56 105.19 111.49 3i4j n GLY 86 Ca 0.23 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 3.07 -0.26 0.99 4.77 -0.32 -4.97 117.00 120.28 3i4j n LEU 87 Ca 0.00 -4.88 0.33 0.00 -0.03 0.00 0.00 56.01 51.42 3i4j n LEU 87 Cb 0.00 -0.03 0.74 0.00 -2.33 0.00 0.00 43.42 41.80 3i4j n LEU 87 CO 0.00 2.09 1.30 1.55 -1.33 0.00 0.00 177.39 181.01 3i4j h PRO 88 N 2.86 0.00 -0.02 3.23 0.13 -1.66 -1.58 132.00 134.96 3i4j h PRO 88 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i4j h PRO 88 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3i4j h PRO 88 CO 0.68 0.00 -0.30 0.25 -0.23 0.00 0.00 178.00 178.41 3i4j n THR 89 N -4.12 0.00 -1.73 1.56 -2.24 -1.26 -4.60 114.28 101.89 3i4j n THR 89 Ca 0.23 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 3i4j n THR 89 Cb 1.16 1.24 0.05 0.00 -2.10 0.00 0.00 70.33 70.69 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 -2.31 2.64 -0.22 4.78 0.40 -0.59 -4.50 117.98 118.17 3i4j s PHE 90 Ca 0.23 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.98 3i4j s PHE 90 Cb 0.19 -3.15 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 3i4j s PHE 90 CO 0.48 -1.67 0.23 1.03 0.70 0.00 0.00 175.22 175.99 3i4j s ARG 91 N -4.16 4.11 -0.23 0.44 1.81 0.18 -4.82 118.95 116.28 3i4j s ARG 91 Ca 0.66 -0.12 -0.19 0.00 -1.72 0.00 0.00 55.73 54.37 3i4j s ARG 91 Cb -0.20 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.74 3i4j s ARG 91 CO 0.42 0.05 0.54 0.12 -0.68 0.00 0.00 175.30 175.75 3i4j s PHE 92 N 1.09 3.33 -0.39 -0.53 5.36 -1.26 -0.65 117.98 124.93 3i4j s PHE 92 Ca 0.11 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 56.77 3i4j s PHE 92 Cb -0.14 -2.72 0.07 0.00 -0.34 0.00 0.00 43.02 39.90 3i4j s PHE 92 CO 0.05 -0.19 0.19 -0.46 -1.46 0.00 0.00 175.22 173.35 3i4j s TRP 93 N 1.98 3.36 -0.02 10.12 -0.11 0.38 -4.97 118.94 129.68 3i4j s TRP 93 Ca 0.24 -1.72 -0.20 0.00 1.22 0.00 0.00 56.10 55.63 3i4j s TRP 93 Cb -0.16 -2.77 -0.05 0.00 -1.50 0.00 0.00 33.47 28.99 3i4j s TRP 93 CO 0.09 -0.84 0.58 0.00 -4.62 0.00 0.00 176.95 172.16 3i4j s ALA 94 N 1.34 3.48 0.10 5.86 0.00 -1.26 -1.31 121.76 129.98 3i4j s ALA 94 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3i4j s ALA 94 Cb -0.22 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3i4j s ALA 94 CO 0.01 0.14 0.06 1.33 0.00 0.00 0.00 175.76 177.29 3i4j n VAL 95 N 2.88 0.00 0.75 0.00 0.24 -0.06 -3.20 118.33 118.93 3i4j n VAL 95 Ca -0.07 -0.67 0.08 0.00 -2.04 0.00 0.00 64.34 61.64 3i4j n VAL 95 Cb 0.51 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.26 1.04 -3.56 -1.34 7.64 -1.26 -1.64 113.62 112.24 3i4j n SER 96 Ca 0.00 -1.02 -0.11 0.00 1.01 0.00 0.00 58.87 58.75 3i4j n SER 96 Cb 0.17 0.83 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.33 -0.39 0.22 0.23 0.00 -1.26 -3.15 107.32 100.64 3i4j s GLY 97 Ca 0.08 0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.86 3i4j s GLY 97 CO 0.58 -0.15 1.76 -1.33 0.00 0.00 0.00 173.10 173.96 3i4j h GLY 98 N 2.25 0.95 1.06 0.20 0.00 -1.89 -1.54 103.07 104.10 3i4j h GLY 98 Ca -0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3i4j h GLY 98 CO 0.44 0.01 0.54 0.23 0.00 0.00 0.00 176.54 177.76 3i4j h SER 99 N 0.49 1.11 -0.11 0.19 0.87 -1.97 -0.16 113.55 113.97 3i4j h SER 99 Ca 0.33 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 3i4j h SER 99 Cb 0.39 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3i4j h SER 99 CO -0.30 0.85 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.32 3i4j h GLU 100 N 1.26 0.53 -0.21 2.24 5.08 -1.80 -1.15 114.58 120.53 3i4j h GLU 100 Ca 0.33 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3i4j h GLU 100 Cb -0.04 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3i4j h GLU 100 CO -0.06 0.71 -0.15 0.00 -1.00 0.00 0.00 179.01 178.51 3i4j h ALA 101 N 1.31 0.30 -0.56 3.43 0.00 -0.33 -1.14 119.26 122.27 3i4j h ALA 101 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3i4j h ALA 101 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i4j h ALA 101 CO 0.04 0.19 -0.05 1.15 0.00 0.00 0.00 179.25 180.59 3i4j h THR 102 N 0.17 1.27 -0.56 0.00 2.02 -0.98 -1.27 112.91 113.55 3i4j h THR 102 Ca 0.04 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.05 3i4j h THR 102 Cb 0.66 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3i4j h THR 102 CO 0.04 0.43 0.35 -0.08 0.37 0.00 0.00 175.52 176.62 3i4j h GLU 103 N 0.91 0.67 -0.75 6.66 4.81 -1.17 -1.61 114.58 124.10 3i4j h GLU 103 Ca 0.15 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3i4j h GLU 103 Cb 0.61 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3i4j h GLU 103 CO 0.04 0.44 0.28 0.77 -0.73 0.00 0.00 179.01 179.81 3i4j h SER 104 N 0.69 1.04 -0.46 1.04 0.02 -0.92 -1.56 113.55 113.40 3i4j h SER 104 Ca 0.22 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3i4j h SER 104 Cb 0.01 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3i4j h SER 104 CO -0.09 0.93 0.17 0.00 -1.14 0.00 0.00 176.83 176.70 3i4j h ALA 105 N 1.21 0.61 -0.40 3.77 0.00 -0.69 0.41 119.26 124.17 3i4j h ALA 105 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 105 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i4j h ALA 105 CO -0.02 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.69 3i4j h VAL 106 N 0.61 1.27 -0.63 0.00 2.07 -1.12 -1.19 116.25 117.27 3i4j h VAL 106 Ca 0.15 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3i4j h VAL 106 Cb 0.23 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3i4j h VAL 106 CO -0.01 0.37 0.19 0.11 0.02 0.00 0.00 177.57 178.25 3i4j h LYS 107 N 0.56 0.96 -0.40 1.57 1.57 -1.14 -1.95 116.57 117.74 3i4j h LYS 107 Ca 0.11 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3i4j h LYS 107 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3i4j h LYS 107 CO 0.03 0.83 0.06 1.25 -0.57 0.00 0.00 179.45 181.06 3i4j h LEU 108 N 0.93 0.65 -0.71 2.94 5.85 -0.70 -0.46 115.31 123.81 3i4j h LEU 108 Ca 0.21 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3i4j h LEU 108 Cb 0.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3i4j h LEU 108 CO -0.01 0.74 0.34 0.00 -0.34 0.00 0.00 178.44 179.18 3i4j h ALA 109 N 0.93 0.92 -0.32 1.25 0.00 -0.99 -0.72 119.26 120.32 3i4j h ALA 109 Ca 0.12 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i4j h ALA 109 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i4j h ALA 109 CO 0.01 0.48 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 3i4j h ARG 110 N 0.99 0.70 -0.12 0.00 3.08 -1.24 -3.03 114.38 114.76 3i4j h ARG 110 Ca 0.24 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3i4j h ARG 110 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3i4j h ARG 110 CO -0.03 0.92 -0.17 0.37 -1.07 0.00 0.00 179.97 179.99 3i4j h GLN 111 N 0.46 0.20 -0.54 0.04 4.15 -0.87 -2.79 115.11 115.75 3i4j h GLN 111 Ca 0.07 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3i4j h GLN 111 Cb 0.73 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.32 3i4j h GLN 111 CO 0.05 0.37 0.15 -0.92 -1.93 0.00 0.00 178.83 176.55 3i4j h TYR 112 N 0.18 0.24 -0.09 3.99 3.20 -1.00 -0.46 116.97 123.04 3i4j h TYR 112 Ca 0.04 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 3i4j h TYR 112 Cb 0.42 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3i4j h TYR 112 CO 0.01 0.03 -0.70 0.45 -1.64 0.00 0.00 178.16 176.30 3i4j h HIS 113 N 0.30 0.55 -0.72 -3.82 3.86 -1.53 -2.80 115.15 110.98 3i4j h HIS 113 Ca 0.27 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3i4j h HIS 113 Cb 0.36 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 3i4j h HIS 113 CO -0.21 0.98 0.30 0.28 0.86 0.00 0.00 177.93 180.14 3i4j h VAL 114 N 0.29 1.24 -0.10 2.45 2.07 -1.15 0.22 116.25 121.26 3i4j h VAL 114 Ca -0.03 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3i4j h VAL 114 Cb 1.27 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3i4j h VAL 114 CO 0.12 0.30 -0.21 -0.33 0.02 0.00 0.00 177.57 177.47 3i4j h GLU 115 N 1.04 0.17 -0.26 1.57 4.39 -0.98 -2.20 114.58 118.31 3i4j h GLU 115 Ca 0.24 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3i4j h GLU 115 Cb 0.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3i4j h GLU 115 CO -0.02 0.38 0.00 0.54 -1.16 0.00 0.00 179.01 178.75 3i4j n ARG 116 N -4.22 1.71 -1.54 2.33 1.74 -0.63 -4.91 116.66 111.14 3i4j n ARG 116 Ca -0.01 -1.09 -0.03 0.00 -0.77 0.00 0.00 57.85 55.95 3i4j n ARG 116 Cb 0.32 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.04 0.43 2.50 -0.13 0.00 -0.83 -4.99 105.19 103.22 3i4j n GLY 117 Ca 0.13 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.13 2.23 0.33 1.61 1.02 0.67 -4.91 120.64 119.45 3i4j n GLU 118 Ca -0.03 -4.31 0.21 0.00 -0.02 0.00 0.00 57.16 53.00 3i4j n GLU 118 Cb 0.30 -2.00 1.13 0.00 -0.02 0.00 0.00 31.44 30.84 3i4j n GLU 118 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i4j h PRO 119 N 3.64 0.00 0.00 3.49 0.11 -1.86 -2.39 132.00 134.99 3i4j h PRO 119 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i4j h PRO 119 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3i4j h PRO 119 CO 0.72 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.29 3i4j h GLY 120 N 0.00 0.00 -7.20 -0.55 0.00 -1.91 -3.39 103.07 90.03 3i4j h GLY 120 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.72 3i4j h GLY 120 CO -0.00 0.00 1.46 0.50 0.00 0.00 0.00 176.54 178.50 3i4j s ARG 121 N -3.68 3.62 0.00 4.80 0.52 -0.90 -4.27 118.95 119.04 3i4j s ARG 121 Ca 0.01 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3i4j s ARG 121 Cb 0.09 -5.32 0.00 0.00 0.52 0.00 0.00 34.95 30.25 3i4j s ARG 121 CO 0.51 -2.16 0.00 1.97 0.02 0.00 0.00 175.30 175.65 3i4j n PHE 122 N 8.56 0.00 -2.43 -0.53 1.16 -0.91 -4.17 117.46 119.14 3i4j n PHE 122 Ca 0.33 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.50 3i4j n PHE 122 Cb 0.50 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.33 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 -1.57 4.59 -0.26 3.97 1.02 -0.42 -4.68 119.74 122.39 3i4j s LYS 123 Ca 0.00 1.85 0.03 0.00 0.02 0.00 0.00 55.97 57.87 3i4j s LYS 123 Cb 0.00 -3.19 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 3i4j s LYS 123 CO 0.00 0.13 -0.11 0.08 -0.92 0.00 0.00 175.35 174.54 3i4j s VAL 124 N -1.01 2.21 0.00 3.17 1.01 -0.38 -0.30 120.40 125.11 3i4j s VAL 124 Ca 0.46 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 3i4j s VAL 124 Cb -0.33 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3i4j s VAL 124 CO 0.42 -0.03 0.97 -0.63 0.00 0.00 0.00 175.10 175.83 3i4j s ILE 125 N 1.11 4.85 0.38 2.22 1.01 0.73 -3.83 121.20 127.67 3i4j s ILE 125 Ca -0.09 2.05 0.04 0.00 0.00 0.00 0.00 60.65 62.65 3i4j s ILE 125 Cb -0.20 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3i4j s ILE 125 CO -0.05 0.17 0.05 0.42 0.00 0.00 0.00 174.94 175.54 3i4j s THR 126 N 0.95 1.25 -0.08 2.92 -4.23 -0.84 -0.35 115.64 115.26 3i4j s THR 126 Ca 0.51 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 3i4j s THR 126 Cb -0.21 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 3i4j s THR 126 CO 0.28 0.00 -0.24 -0.60 -0.54 0.00 0.00 174.62 173.51 3i4j s ARG 127 N -3.82 2.77 0.36 3.99 3.52 -1.26 -0.66 118.95 123.85 3i4j s ARG 127 Ca 0.30 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.72 3i4j s ARG 127 Cb 0.07 -2.23 -0.11 0.00 -1.56 0.00 0.00 34.95 31.12 3i4j s ARG 127 CO 0.14 0.30 1.50 0.08 -0.81 0.00 0.00 175.30 176.50 3i4j s VAL 128 N 0.05 2.07 -0.23 7.11 1.01 -0.12 -0.75 120.40 129.54 3i4j s VAL 128 Ca -0.10 0.07 0.14 0.00 0.00 0.00 0.00 61.98 62.09 3i4j s VAL 128 Cb -0.16 -3.04 0.72 0.00 0.00 0.00 0.00 36.38 33.90 3i4j s VAL 128 CO 0.06 0.02 1.65 -0.81 0.00 0.00 0.00 175.10 176.01 3i4j n PRO 129 N 0.71 4.08 0.22 2.72 -0.04 -1.26 -3.31 135.00 138.12 3i4j n PRO 129 Ca 0.02 -3.06 0.08 0.00 -0.04 0.00 0.00 63.50 60.50 3i4j n PRO 129 Cb 0.39 -2.12 0.51 0.00 -0.04 0.00 0.00 33.50 32.24 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 3.08 0.00 -5.13 3.54 0.02 -1.32 -3.46 113.55 110.28 3i4j h SER 130 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3i4j h SER 130 Cb 1.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.39 3i4j h SER 130 CO 0.43 0.25 -0.09 0.54 -1.14 0.00 0.00 176.83 176.83 3i4j n ARG 156 N -3.71 -0.12 -0.18 3.45 1.74 -1.26 -5.00 116.66 111.59 3i4j n ARG 156 Ca -0.01 0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 3i4j n ARG 156 Cb 0.36 -0.17 0.41 0.00 -1.02 0.00 0.00 32.46 32.04 3i4j n ARG 156 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i4j h PRO 157 N 0.90 0.61 0.00 5.56 0.11 -2.06 -1.74 132.00 135.38 3i4j h PRO 157 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3i4j h PRO 157 Cb 0.11 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3i4j h PRO 157 CO 0.03 0.40 -0.07 0.93 -0.21 0.00 0.00 178.00 179.08 3i4j h GLU 158 N 0.63 0.00 0.00 1.05 3.07 -2.03 -1.23 114.58 116.07 3i4j h GLU 158 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3i4j h GLU 158 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3i4j h GLU 158 CO -0.12 0.07 0.00 0.00 -1.40 0.00 0.00 179.01 177.56 3i4j n ALA 159 N -2.26 2.29 -3.37 3.43 0.00 -0.65 -4.22 120.51 115.72 3i4j n ALA 159 Ca -0.02 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 3i4j n ALA 159 Cb 0.18 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.42 2.13 -1.93 0.00 7.02 -0.46 -1.25 117.44 121.53 3i4j n TRP 160 Ca 0.09 -3.94 -0.37 0.00 -1.02 0.00 0.00 57.50 52.26 3i4j n TRP 160 Cb 0.28 -0.46 0.04 0.00 -2.42 0.00 0.00 31.31 28.75 3i4j n TRP 160 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3i4j s PRO 161 N -1.89 2.98 -0.10 -0.99 0.04 -1.25 -4.83 135.00 128.96 3i4j s PRO 161 Ca 0.37 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.39 3i4j s PRO 161 Cb 0.14 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 3i4j s PRO 161 CO -0.06 -1.23 -0.17 0.15 0.04 0.00 0.00 177.00 175.73 3i4j s LYS 162 N -3.20 3.09 0.02 4.56 -0.14 -1.26 -1.98 119.74 120.84 3i4j s LYS 162 Ca 0.76 -0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 54.51 3i4j s LYS 162 Cb -0.34 -2.48 -0.06 0.00 -1.68 0.00 0.00 37.83 33.28 3i4j s LYS 162 CO 0.37 0.29 0.38 -1.17 -0.76 0.00 0.00 175.35 174.46 3i4j s LEU 163 N 0.12 4.41 0.71 3.17 2.96 0.16 -4.91 118.68 125.30 3i4j s LEU 163 Ca -0.08 0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 54.50 3i4j s LEU 163 Cb -0.15 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.84 3i4j s LEU 163 CO 0.05 0.26 1.20 -2.65 -1.32 0.00 0.00 176.35 173.90 3i4j n PRO 164 N 1.41 0.71 -1.61 0.98 -0.02 -1.26 -0.95 135.00 134.26 3i4j n PRO 164 Ca -0.12 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 3i4j n PRO 164 Cb 0.53 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.59 2.37 0.70 -0.52 -2.85 -1.21 -4.54 119.74 110.09 3i4j s LYS 165 Ca 0.78 1.87 -0.17 0.00 -1.00 0.00 0.00 55.97 57.46 3i4j s LYS 165 Cb -0.35 -1.85 0.02 0.00 -2.06 0.00 0.00 37.83 33.59 3i4j s LYS 165 CO 0.45 -1.69 1.26 -2.14 0.10 0.00 0.00 175.35 173.34 3i4j s PRO 166 N -3.66 2.29 -0.37 1.78 0.02 -1.26 -5.01 135.00 128.79 3i4j s PRO 166 Ca 0.78 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.76 3i4j s PRO 166 Cb -0.32 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.48 3i4j s PRO 166 CO 0.42 -1.77 0.14 0.34 -0.33 0.00 0.00 177.00 175.80 3i4j s ASP 167 N -1.67 4.13 0.62 2.53 -1.08 -1.26 -4.98 116.67 114.97 3i4j s ASP 167 Ca 0.79 -2.15 0.33 0.00 -0.52 0.00 0.00 52.55 51.00 3i4j s ASP 167 Cb -0.34 -1.16 1.87 0.00 -1.46 0.00 0.00 42.92 41.82 3i4j s ASP 167 CO 0.43 -0.35 2.17 -0.65 0.52 0.00 0.00 175.17 177.29 3i4j h PRO 168 N 7.47 0.00 -0.18 4.34 0.11 -1.93 -1.07 132.00 140.75 3i4j h PRO 168 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 3i4j h PRO 168 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3i4j h PRO 168 CO 0.50 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 177.95 3i4j h ALA 169 N 1.81 1.09 -2.35 -0.75 0.00 -1.94 -3.42 119.26 113.69 3i4j h ALA 169 Ca 0.04 -0.38 -0.47 0.00 0.00 0.00 0.00 54.91 54.09 3i4j h ALA 169 Cb 0.31 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 18.06 3i4j h ALA 169 CO -0.00 0.58 0.26 1.03 0.00 0.00 0.00 179.25 181.11 3i4j s ARG 170 N -4.30 2.59 0.29 0.00 0.52 -0.41 -5.02 118.95 112.62 3i4j s ARG 170 Ca -0.06 0.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.87 3i4j s ARG 170 Cb 0.13 -2.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.34 3i4j s ARG 170 CO 0.78 -1.02 1.40 1.21 0.02 0.00 0.00 175.30 177.69 3i4j s ASN 171 N -4.41 6.66 0.14 0.23 3.84 -1.26 -4.69 114.94 115.46 3i4j s ASN 171 Ca 0.57 2.72 -0.20 0.00 0.21 0.00 0.00 52.86 56.17 3i4j s ASN 171 Cb -0.11 -2.64 0.02 0.00 -0.55 0.00 0.00 41.25 37.98 3i4j s ASN 171 CO 0.47 -0.66 1.67 1.23 -2.79 0.00 0.00 177.10 177.02 3i4j h GLY 172 N 4.17 0.09 0.93 1.21 0.00 -1.76 0.35 103.07 108.07 3i4j h GLY 172 Ca -0.48 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3i4j h GLY 172 CO 0.71 -0.14 -0.05 0.00 0.00 0.00 0.00 176.54 177.06 3i4j h ALA 173 N 1.12 0.49 -0.34 3.60 0.00 -1.71 -1.45 119.26 120.96 3i4j h ALA 173 Ca 0.13 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3i4j h ALA 173 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3i4j h ALA 173 CO -0.31 0.31 0.06 1.49 0.00 0.00 0.00 179.25 180.80 3i4j h GLU 174 N 0.47 0.17 -0.54 0.00 4.81 -1.83 -0.50 114.58 117.17 3i4j h GLU 174 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3i4j h GLU 174 Cb 0.55 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3i4j h GLU 174 CO 0.03 0.11 0.26 0.22 -0.73 0.00 0.00 179.01 178.90 3i4j h ASP 175 N 0.18 0.71 0.58 1.04 3.58 -0.19 -2.91 116.42 119.41 3i4j h ASP 175 Ca 0.16 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 3i4j h ASP 175 Cb 0.18 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3i4j h ASP 175 CO -0.22 0.64 -0.37 0.00 -2.88 0.00 0.00 179.24 176.41 3i4j h ALA 176 N 1.10 1.17 -0.16 -0.78 0.00 -0.80 -2.98 119.26 116.81 3i4j h ALA 176 Ca 0.18 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3i4j h ALA 176 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i4j h ALA 176 CO -0.02 0.46 0.37 1.49 0.00 0.00 0.00 179.25 181.55 3i4j h GLU 177 N 0.00 0.00 -0.05 0.00 4.57 -0.89 0.11 114.58 118.33 3i4j h GLU 177 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3i4j h GLU 177 Cb 0.76 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3i4j h GLU 177 CO 0.05 0.00 0.06 0.78 -1.18 0.00 0.00 179.01 178.72 3i4j h GLY 178 N 0.00 0.00 1.43 1.92 0.00 -1.66 -1.13 103.07 103.62 3i4j h GLY 178 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 3i4j h GLY 178 CO -0.00 0.00 -0.28 -2.00 0.00 0.00 0.00 176.54 174.26 3i4j h LEU 179 N 0.00 0.67 -0.36 3.11 5.85 -1.03 -2.04 115.31 121.51 3i4j h LEU 179 Ca 0.02 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 3i4j h LEU 179 Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3i4j h LEU 179 CO -0.00 0.92 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.82 3i4j h ARG 180 N 0.56 0.71 -0.87 1.25 2.43 -1.37 -1.50 114.38 115.58 3i4j h ARG 180 Ca 0.07 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3i4j h ARG 180 Cb 0.77 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 3i4j h ARG 180 CO 0.06 0.88 0.56 0.00 -1.51 0.00 0.00 179.97 179.96 3i4j h ALA 181 N 0.81 1.11 -0.57 2.80 0.00 -1.41 -1.57 119.26 120.43 3i4j h ALA 181 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3i4j h ALA 181 Cb 0.63 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i4j h ALA 181 CO 0.04 0.53 0.09 1.25 0.00 0.00 0.00 179.25 181.16 3i4j h LEU 182 N 1.19 0.92 -0.64 0.00 5.85 -1.21 -1.85 115.31 119.57 3i4j h LEU 182 Ca 0.32 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i4j h LEU 182 Cb -0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3i4j h LEU 182 CO -0.07 0.95 0.39 -0.07 -0.34 0.00 0.00 178.44 179.30 3i4j h LEU 183 N 0.85 0.76 -1.04 2.25 3.38 -0.74 1.00 115.31 121.77 3i4j h LEU 183 Ca 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3i4j h LEU 183 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i4j h LEU 183 CO 0.01 0.59 -0.03 -0.33 0.09 0.00 0.00 178.44 178.77 3i4j h GLU 184 N 0.86 0.65 -0.31 1.13 5.08 -1.13 0.69 114.58 121.56 3i4j h GLU 184 Ca 0.23 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3i4j h GLU 184 Cb -0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3i4j h GLU 184 CO -0.04 0.69 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.07 3i4j h ARG 185 N 0.61 0.86 0.00 2.33 2.43 -0.73 -3.23 114.38 116.65 3i4j h ARG 185 Ca 0.12 -0.51 -0.22 0.00 -0.81 0.00 0.00 59.98 58.56 3i4j h ARG 185 Cb 0.43 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3i4j h ARG 185 CO 0.02 1.15 -1.11 0.93 -1.51 0.00 0.00 179.97 179.45 3i4j h GLU 186 N 0.67 0.00 -0.69 0.20 4.39 -0.50 -3.50 114.58 115.16 3i4j h GLU 186 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i4j h GLU 186 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3i4j h GLU 186 CO 0.11 0.91 0.00 0.41 -1.16 0.00 0.00 179.01 179.28 3i4j n GLY 187 N 1.38 -0.62 0.54 -3.84 0.00 0.24 -4.72 105.19 98.17 3i4j n GLY 187 Ca -0.03 -0.69 0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.75 0.29 132.00 132.28 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 -3.92 0.68 -0.00 0.86 0.00 -1.26 -1.86 120.64 115.14 3i4j n GLU 189 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.44 3i4j n GLU 189 Cb 1.32 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 31.29 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 -1.00 0.04 -4.29 3.84 -2.24 0.10 -3.52 114.28 107.22 3i4j n THR 190 Ca 0.16 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 3i4j n THR 190 Cb 0.07 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.49 4.24 -0.20 2.28 1.01 -0.78 -1.30 120.40 125.17 3i4j s VAL 191 Ca 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3i4j s VAL 191 Cb 0.05 -2.86 -0.22 0.00 0.00 0.00 0.00 36.38 33.35 3i4j s VAL 191 CO 0.07 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.72 3i4j n ALA 192 N 3.19 1.43 -3.77 5.51 0.00 0.59 -4.70 120.51 122.76 3i4j n ALA 192 Ca -0.17 -1.13 -0.05 0.00 0.00 0.00 0.00 53.44 52.09 3i4j n ALA 192 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.52 -1.54 -0.11 0.00 0.00 -1.06 -1.36 121.76 115.17 3i4j s ALA 193 Ca -0.20 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3i4j s ALA 193 Cb 0.07 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.91 3i4j s ALA 193 CO 0.74 -1.03 -0.12 0.12 0.00 0.00 0.00 175.76 175.47 3i4j s PHE 194 N -3.45 1.74 -0.05 0.00 5.36 -0.29 -0.19 117.98 121.10 3i4j s PHE 194 Ca 0.12 -0.85 0.06 0.00 -0.96 0.00 0.00 56.93 55.30 3i4j s PHE 194 Cb -0.03 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.31 3i4j s PHE 194 CO 0.03 -0.50 -0.24 1.41 -1.46 0.00 0.00 175.22 174.46 3i4j s MET 195 N 1.30 2.41 -0.00 10.12 -2.45 0.52 -0.22 119.30 130.99 3i4j s MET 195 Ca -0.01 -0.89 -0.26 0.00 -1.25 0.00 0.00 55.69 53.27 3i4j s MET 195 Cb -0.14 -2.15 0.06 0.00 1.25 0.00 0.00 34.83 33.86 3i4j s MET 195 CO -0.05 0.46 0.58 0.00 1.05 0.00 0.00 175.02 177.06 3i4j s ALA 196 N -0.35 -1.51 -0.21 4.11 0.00 -0.46 -4.06 121.76 119.29 3i4j s ALA 196 Ca 0.02 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 3i4j s ALA 196 Cb -0.12 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3i4j s ALA 196 CO 0.02 -0.42 0.74 -1.21 0.00 0.00 0.00 175.76 174.88 3i4j s GLU 197 N -1.75 4.21 0.20 0.00 2.02 -1.26 -0.62 118.70 121.50 3i4j s GLU 197 Ca -0.09 0.80 -0.13 0.00 0.02 0.00 0.00 54.97 55.57 3i4j s GLU 197 Cb -0.01 -3.60 0.22 0.00 0.10 0.00 0.00 34.13 30.84 3i4j s GLU 197 CO 0.04 -0.36 1.66 -1.35 0.02 0.00 0.00 175.26 175.27 3i4j h PRO 198 N 7.55 0.05 -5.22 0.39 0.11 -1.95 -3.35 132.00 129.57 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 -0.34 0.00 0.11 0.00 0.00 31.00 31.89 3i4j h PRO 198 CO 0.82 0.03 -0.87 0.08 -0.21 0.00 0.00 178.00 177.85 3i4j s VAL 199 N -6.19 2.00 0.45 3.15 1.01 -1.26 -4.49 120.40 115.07 3i4j s VAL 199 Ca -0.14 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 3i4j s VAL 199 Cb 0.18 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 3i4j s VAL 199 CO 0.73 0.54 1.19 -0.69 0.00 0.00 0.00 175.10 176.87 3i4j s VAL 200 N 0.60 2.99 0.00 2.92 1.01 0.20 -4.79 120.40 123.33 3i4j s VAL 200 Ca -0.13 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3i4j s VAL 200 Cb -0.17 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3i4j s VAL 200 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3i4j n GLY 201 N 0.52 0.96 0.36 4.51 0.00 -1.26 -1.45 105.19 108.82 3i4j n GLY 201 Ca 0.07 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.48 1.78 -0.54 4.61 0.00 -1.97 -1.71 119.26 119.96 3i4j h ALA 202 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 3i4j h ALA 202 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i4j h ALA 202 CO 0.00 0.05 0.41 0.66 0.00 0.00 0.00 179.25 180.37 3i4j h SER 203 N 0.71 0.00 -0.60 0.00 4.64 -1.92 -3.29 113.55 113.09 3i4j h SER 203 Ca 0.37 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.53 3i4j h SER 203 Cb 0.47 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.41 3i4j h SER 203 CO -0.14 0.00 -0.44 -0.67 -0.87 0.00 0.00 176.83 174.71 3i4j n ASP 204 N -4.27 -3.04 -0.49 4.97 4.64 -1.00 -4.88 116.55 112.47 3i4j n ASP 204 Ca 0.10 -2.81 -0.05 0.00 -1.38 0.00 0.00 54.79 50.64 3i4j n ASP 204 Cb 0.64 1.65 -0.02 0.00 -1.04 0.00 0.00 41.12 42.35 3i4j n ASP 204 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i4j n ALA 205 N 2.48 0.03 -2.28 -1.67 0.00 -0.67 -1.06 120.51 117.33 3i4j n ALA 205 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 3i4j n ALA 205 Cb 0.59 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 1.03 -0.64 -2.07 0.00 0.00 -0.53 -4.22 120.51 114.07 3i4j n ALA 206 Ca 0.07 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 3i4j n ALA 206 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 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 -5.55 4.34 -0.04 0.00 2.96 -0.23 -4.55 118.68 115.62 3i4j s LEU 207 Ca 0.00 2.32 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 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 -0.80 -0.12 0.00 -1.32 0.00 0.00 176.35 174.11 3i4j s ALA 208 N 2.36 1.15 0.87 5.97 0.00 -1.26 -0.62 121.76 130.23 3i4j s ALA 208 Ca 0.69 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 3i4j s ALA 208 Cb -0.36 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.44 3i4j s ALA 208 CO 0.30 0.17 1.12 -2.14 0.00 0.00 0.00 175.76 175.21 3i4j s PRO 209 N 0.28 1.38 0.80 0.00 0.02 -1.26 -4.47 135.00 131.74 3i4j s PRO 209 Ca -0.06 1.36 -0.11 0.00 0.02 0.00 0.00 61.00 62.21 3i4j s PRO 209 Cb -0.11 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.69 3i4j s PRO 209 CO 0.02 -2.32 1.10 0.00 -0.33 0.00 0.00 177.00 175.46 3i4j s ALA 210 N -2.74 2.28 0.66 -1.55 0.00 -1.26 -4.94 121.76 114.20 3i4j s ALA 210 Ca 0.65 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 3i4j s ALA 210 Cb -0.21 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 3i4j s ALA 210 CO 0.57 -1.71 1.27 -1.25 0.00 0.00 0.00 175.76 174.65 3i4j s PRO 211 N -5.17 2.49 0.00 0.00 0.04 -1.26 -2.63 135.00 128.47 3i4j s PRO 211 Ca 0.61 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.65 3i4j s PRO 211 Cb -0.14 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3i4j s PRO 211 CO 0.54 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.36 3i4j n GLY 212 N 0.80 2.52 0.52 0.56 0.00 -1.26 -3.07 105.19 105.25 3i4j n GLY 212 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.21 0.00 1.61 3.20 -1.55 -2.59 116.97 116.43 3i4j h TYR 213 Ca 0.00 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3i4j h TYR 213 Cb 0.00 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3i4j h TYR 213 CO 0.00 -0.75 -0.08 1.88 -1.64 0.00 0.00 178.16 177.57 3i4j h TYR 214 N -1.31 0.00 -0.46 -3.82 0.05 -1.87 -1.36 116.97 108.19 3i4j h TYR 214 Ca -0.13 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.57 3i4j h TYR 214 Cb 1.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3i4j h TYR 214 CO -0.00 0.08 -0.02 0.93 -1.05 0.00 0.00 178.16 178.10 3i4j h GLU 215 N 0.00 0.82 -0.44 4.88 3.07 -1.82 -0.64 114.58 120.46 3i4j h GLU 215 Ca -0.00 -0.27 -0.14 0.00 -0.50 0.00 0.00 59.36 58.45 3i4j h GLU 215 Cb 0.69 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3i4j h GLU 215 CO 0.01 0.89 -0.27 -0.09 -1.40 0.00 0.00 179.01 178.14 3i4j h ARG 216 N 0.67 0.96 -0.54 2.33 9.65 -1.07 -2.80 114.38 123.59 3i4j h ARG 216 Ca 0.13 -0.45 0.04 0.00 -1.10 0.00 0.00 59.98 58.60 3i4j h ARG 216 Cb 0.52 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 3i4j h ARG 216 CO 0.03 1.11 0.31 0.28 2.80 0.00 0.00 179.97 184.50 3i4j h VAL 217 N 0.80 1.01 -0.30 0.20 2.07 -1.03 -0.58 116.25 118.43 3i4j h VAL 217 Ca 0.09 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3i4j h VAL 217 Cb 0.86 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3i4j h VAL 217 CO 0.08 0.11 0.06 -0.09 0.02 0.00 0.00 177.57 177.75 3i4j h ARG 218 N 0.60 0.17 -0.64 1.57 9.65 -1.02 -0.26 114.38 124.44 3i4j h ARG 218 Ca 0.23 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3i4j h ARG 218 Cb 0.08 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3i4j h ARG 218 CO -0.13 0.11 0.11 -0.44 2.80 0.00 0.00 179.97 182.43 3i4j h ASP 219 N 0.17 1.01 -0.60 -3.80 3.32 -1.19 -1.53 116.42 113.80 3i4j h ASP 219 Ca 0.14 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3i4j h ASP 219 Cb 0.14 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3i4j h ASP 219 CO -0.18 1.01 0.28 0.40 -1.72 0.00 0.00 179.24 179.03 3i4j h ILE 220 N 0.97 1.22 -0.43 0.35 2.04 -0.68 -0.84 117.51 120.13 3i4j h ILE 220 Ca 0.20 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3i4j h ILE 220 Cb 0.42 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3i4j h ILE 220 CO 0.01 0.25 0.02 0.00 0.00 0.00 0.00 178.15 178.44 3i4j h ASP 222 N 0.60 0.21 -0.25 0.00 3.32 -1.06 0.33 116.42 119.57 3i4j h ASP 222 Ca 0.13 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3i4j h ASP 222 Cb 0.46 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3i4j h ASP 222 CO 0.02 0.16 0.00 -0.33 -1.72 0.00 0.00 179.24 177.37 3i4j h GLU 223 N 0.27 0.56 0.00 3.56 5.08 -1.05 -2.20 114.58 120.79 3i4j h GLU 223 Ca 0.08 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i4j h GLU 223 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3i4j h GLU 223 CO -0.03 0.58 -0.18 0.00 -1.00 0.00 0.00 179.01 178.37 3i4j h ALA 224 N 1.48 0.90 -0.52 3.43 0.00 -0.71 -3.47 119.26 120.37 3i4j h ALA 224 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 224 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3i4j h ALA 224 CO 0.01 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.55 3i4j n GLY 225 N 1.19 0.42 3.88 0.00 0.00 0.11 -4.92 105.19 105.87 3i4j n GLY 225 Ca 0.04 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.23 4.81 -0.10 -0.61 -4.36 -0.61 -5.03 121.20 113.07 3i4j s ILE 226 Ca 0.00 -1.14 -0.28 0.00 -0.26 0.00 0.00 60.65 58.97 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 -0.27 0.94 -0.63 0.24 0.00 0.00 174.94 175.22 3i4j s ILE 227 N -1.97 4.84 -0.33 8.37 -1.09 -0.46 -4.55 121.20 126.01 3i4j s ILE 227 Ca 0.33 1.91 -0.17 0.00 -2.23 0.00 0.00 60.65 60.48 3i4j s ILE 227 Cb -0.09 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 3i4j s ILE 227 CO 0.26 0.06 0.47 0.12 -1.23 0.00 0.00 174.94 174.63 3i4j s PHE 228 N 1.74 3.20 -0.22 3.97 5.36 -1.26 -1.13 117.98 129.64 3i4j s PHE 228 Ca 0.46 0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 56.61 3i4j s PHE 228 Cb -0.18 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 3i4j s PHE 228 CO 0.19 -0.45 0.00 0.42 -1.46 0.00 0.00 175.22 173.91 3i4j s ILE 229 N 2.29 3.82 -0.33 3.12 1.01 0.69 -0.95 121.20 130.84 3i4j s ILE 229 Ca 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3i4j s ILE 229 Cb -0.16 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3i4j s ILE 229 CO 0.12 0.40 0.19 0.00 0.00 0.00 0.00 174.94 175.66 3i4j s ALA 230 N 1.35 3.36 -0.72 9.38 0.00 -0.06 -1.35 121.76 133.72 3i4j s ALA 230 Ca 0.04 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 3i4j s ALA 230 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.53 3i4j s ALA 230 CO 0.00 -0.98 1.05 0.34 0.00 0.00 0.00 175.76 176.18 3i4j s ASP 231 N 1.65 6.23 -0.26 0.00 -1.08 0.21 -0.41 116.67 123.01 3i4j s ASP 231 Ca 0.05 -1.04 0.12 0.00 -0.52 0.00 0.00 52.55 51.16 3i4j s ASP 231 Cb -0.17 -2.45 0.57 0.00 -1.46 0.00 0.00 42.92 39.41 3i4j s ASP 231 CO 0.08 -1.47 1.54 -0.62 0.52 0.00 0.00 175.17 175.22 3i4j n GLU 232 N 7.91 2.63 -0.32 4.34 -0.58 0.37 -4.14 120.64 130.85 3i4j n GLU 232 Ca 0.02 -3.02 0.08 0.00 -0.42 0.00 0.00 57.16 53.82 3i4j n GLU 232 Cb 0.47 -1.93 0.28 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.62 0.91 0.00 2.62 2.07 -1.77 0.81 116.25 122.51 3i4j h VAL 233 Ca 0.17 -0.31 -0.33 0.00 0.82 0.00 0.00 66.70 67.05 3i4j h VAL 233 Cb 1.78 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3i4j h VAL 233 CO 0.44 0.17 -2.25 0.80 0.02 0.00 0.00 177.57 176.75 3i4j n MET 234 N -4.58 0.67 0.10 1.57 0.00 -1.26 -3.93 117.12 109.68 3i4j n MET 234 Ca 0.18 0.10 0.13 0.00 -0.00 0.00 0.00 57.70 58.11 3i4j n MET 234 Cb 0.37 -1.44 0.41 0.00 0.00 0.00 0.00 33.22 32.56 3i4j n MET 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3i4j n SER 235 N -3.06 0.78 -3.28 6.12 3.41 -1.20 -4.82 113.62 111.57 3i4j n SER 235 Ca -0.37 0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 58.65 3i4j n SER 235 Cb 0.94 -0.78 0.10 0.00 -0.26 0.00 0.00 64.21 64.21 3i4j n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4j n GLY 236 N 1.29 -0.52 3.38 5.00 0.00 0.27 -3.52 105.19 111.09 3i4j n GLY 236 Ca 0.06 -1.82 -0.24 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 -2.44 -6.20 0.00 1.61 2.81 0.70 -2.75 117.12 110.86 3i4j n MET 237 Ca 0.10 0.82 0.00 0.00 -1.81 0.00 0.00 57.70 56.81 3i4j n MET 237 Cb 0.35 -5.76 0.00 0.00 -0.71 0.00 0.00 33.22 27.09 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 -1.73 1.60 0.29 3.03 0.00 -0.86 -4.90 105.19 102.63 3i4j n GLY 238 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 3.05 0.26 -0.84 1.61 9.65 -1.67 -1.31 114.38 125.13 3i4j h ARG 239 Ca 0.00 -0.02 -0.37 0.00 -1.10 0.00 0.00 59.98 58.50 3i4j h ARG 239 Cb 0.00 -0.06 -0.22 0.00 -1.39 0.00 0.00 29.97 28.30 3i4j h ARG 239 CO 0.00 0.17 0.44 0.00 2.80 0.00 0.00 179.97 183.38 3i4j n GLY 241 N -0.72 0.56 3.44 0.00 0.00 -0.49 -3.82 105.19 104.15 3i4j n GLY 241 Ca 0.50 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 3i4j n GLY 241 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i4j s SER 242 N -2.81 -0.53 0.26 1.61 0.15 -1.26 -4.81 113.70 106.31 3i4j s SER 242 Ca 0.00 0.63 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 3i4j s SER 242 Cb 0.00 0.59 0.52 0.00 -1.71 0.00 0.00 66.02 65.42 3i4j s SER 242 CO 0.00 -0.50 1.74 -0.65 1.20 0.00 0.00 173.24 175.03 3i4j h PRO 243 N 3.59 0.48 -4.48 5.44 0.11 -1.90 -2.28 132.00 132.96 3i4j h PRO 243 Ca -0.28 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.35 3i4j h PRO 243 Cb 1.15 -0.11 -0.32 0.00 0.11 0.00 0.00 31.00 31.83 3i4j h PRO 243 CO 0.35 0.32 -0.79 -0.51 -0.21 0.00 0.00 178.00 177.16 3i4j s LEU 244 N -10.42 1.65 0.39 2.35 1.43 -1.26 -0.21 118.68 112.59 3i4j s LEU 244 Ca -0.12 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3i4j s LEU 244 Cb 0.21 -0.62 0.79 0.00 0.03 0.00 0.00 46.19 46.61 3i4j s LEU 244 CO 0.77 0.03 2.02 0.00 0.23 0.00 0.00 176.35 179.41 3i4j h ALA 245 N 6.72 1.69 -0.42 4.21 0.00 -1.75 -2.43 119.26 127.29 3i4j h ALA 245 Ca -0.34 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3i4j h ALA 245 Cb 1.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3i4j h ALA 245 CO 0.48 0.26 0.28 1.25 0.00 0.00 0.00 179.25 181.53 3i4j h LEU 246 N 0.66 0.25 -2.60 0.00 5.85 -1.92 -1.73 115.31 115.82 3i4j h LEU 246 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3i4j h LEU 246 Cb 0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3i4j h LEU 246 CO -0.05 0.16 -0.01 0.28 -0.34 0.00 0.00 178.44 178.48 3i4j h SER 247 N 0.29 0.00 0.33 1.25 0.02 -1.57 -1.78 113.55 112.08 3i4j h SER 247 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3i4j h SER 247 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3i4j h SER 247 CO -0.04 0.01 -0.01 0.03 -1.14 0.00 0.00 176.83 175.69 3i4j h ARG 248 N 0.00 0.00 -4.14 3.45 3.08 -1.47 -0.76 114.38 114.54 3i4j h ARG 248 Ca -0.00 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.28 3i4j h ARG 248 Cb 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.90 3i4j h ARG 248 CO 0.00 0.01 0.84 -1.58 -1.07 0.00 0.00 179.97 178.17 3i4j s TRP 249 N -4.03 3.89 -1.41 3.04 0.51 -0.67 -4.67 118.94 115.61 3i4j s TRP 249 Ca -0.03 -2.38 -0.10 0.00 -2.12 0.00 0.00 56.10 51.46 3i4j s TRP 249 Cb 0.12 -4.06 0.07 0.00 -0.81 0.00 0.00 33.47 28.79 3i4j s TRP 249 CO 0.47 -1.16 0.64 0.43 -0.51 0.00 0.00 176.95 176.81 3i4j n SER 250 N 4.15 -4.38 -1.31 2.95 7.64 -1.25 -1.86 113.62 119.56 3i4j n SER 250 Ca 0.29 -0.49 -0.17 0.00 1.01 0.00 0.00 58.87 59.51 3i4j n SER 250 Cb 0.41 -3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 59.97 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 -1.36 1.67 3.69 0.23 0.00 -0.29 -4.94 105.19 104.19 3i4j n GLY 251 Ca -0.01 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.44 2.16 -4.95 1.61 0.31 -0.78 -4.89 118.33 109.36 3i4j n VAL 252 Ca -0.17 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.38 3i4j n VAL 252 Cb 0.59 -1.54 -0.15 0.00 -0.91 0.00 0.00 33.84 31.83 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 -1.13 1.87 0.72 2.52 -4.23 -1.26 -4.04 115.64 110.09 3i4j s THR 253 Ca 0.57 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3i4j s THR 253 Cb -0.55 -1.59 0.12 0.00 1.34 0.00 0.00 72.50 71.82 3i4j s THR 253 CO 0.61 0.39 0.99 -2.16 -0.54 0.00 0.00 174.62 173.91 3i4j s PRO 254 N -0.91 1.70 0.08 3.99 0.04 -1.26 -5.01 135.00 133.64 3i4j s PRO 254 Ca 0.09 -1.06 0.15 0.00 0.04 0.00 0.00 61.00 60.22 3i4j s PRO 254 Cb -0.09 -2.32 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 3i4j s PRO 254 CO 0.01 -1.43 0.92 -0.44 0.04 0.00 0.00 177.00 176.09 3i4j h ASP 255 N -0.53 0.00 -3.32 6.66 3.32 -1.41 -3.45 116.42 117.69 3i4j h ASP 255 Ca -0.37 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.42 3i4j h ASP 255 Cb 1.27 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.49 3i4j h ASP 255 CO 0.41 0.68 -0.60 -0.63 -1.72 0.00 0.00 179.24 177.38 3i4j s ILE 256 N -2.85 -0.12 -0.16 0.35 1.01 -0.96 -1.23 121.20 117.25 3i4j s ILE 256 Ca -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 3i4j s ILE 256 Cb 0.08 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 3i4j s ILE 256 CO 0.81 0.10 -0.11 0.00 0.00 0.00 0.00 174.94 175.73 3i4j s ALA 257 N 1.51 2.65 -0.17 9.38 0.00 -0.33 -0.88 121.76 133.92 3i4j s ALA 257 Ca -0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 3i4j s ALA 257 Cb -0.12 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 3i4j s ALA 257 CO -0.06 0.01 0.17 0.08 0.00 0.00 0.00 175.76 175.96 3i4j s VAL 258 N 0.74 5.41 0.21 0.00 1.01 0.46 -0.69 120.40 127.53 3i4j s VAL 258 Ca -0.05 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3i4j s VAL 258 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3i4j s VAL 258 CO 0.02 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 3i4j s LEU 259 N -0.04 2.54 0.00 3.92 1.43 0.12 -0.48 118.68 126.17 3i4j s LEU 259 Ca 0.12 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3i4j s LEU 259 Cb -0.12 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.46 3i4j s LEU 259 CO 0.01 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3i4j n GLY 260 N -0.39 -0.97 5.65 -3.19 0.00 -1.25 -1.14 105.19 103.90 3i4j n GLY 260 Ca -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.03 1.61 5.02 -1.25 -1.91 118.16 121.66 3i4j n LYS 261 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 3i4j n LYS 261 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.18 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 -0.68 0.42 0.72 0.00 -1.26 -1.60 105.19 102.79 3i4j n GLY 262 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.19 -2.19 0.99 5.85 -1.66 -2.81 115.31 114.30 3i4j h LEU 263 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i4j h LEU 263 Cb 0.06 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3i4j h LEU 263 CO 0.00 -0.52 0.00 0.00 -0.34 0.00 0.00 178.44 177.58 3i4j n ALA 264 N -2.78 2.37 -4.26 1.25 0.00 -1.19 -4.60 120.51 111.29 3i4j n ALA 264 Ca -0.09 -0.90 -0.36 0.00 0.00 0.00 0.00 53.44 52.09 3i4j n ALA 264 Cb 0.39 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 0.95 -1.34 -0.66 0.00 0.00 -0.63 -0.93 120.51 117.91 3i4j n ALA 265 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3i4j n ALA 265 Cb 0.45 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 -1.43 0.83 0.12 0.00 0.00 -1.25 -4.14 105.19 99.32 3i4j n GLY 266 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.18 1.61 0.05 -1.40 -3.48 116.97 111.57 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 -0.18 0.00 1.01 0.00 0.00 36.73 37.56 3i4j h TYR 267 CO 0.00 0.04 0.24 0.00 -1.05 0.00 0.00 178.16 177.39 3i4j s ALA 268 N -3.32 -1.75 -0.69 3.88 0.00 -1.26 -5.04 121.76 113.58 3i4j s ALA 268 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 3i4j s ALA 268 Cb 0.09 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.35 3i4j s ALA 268 CO 0.78 -0.46 1.53 -2.14 0.00 0.00 0.00 175.76 175.47 3i4j s PRO 269 N -1.79 2.95 -0.01 0.00 0.02 -1.26 -4.65 135.00 130.26 3i4j s PRO 269 Ca -0.07 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.06 3i4j s PRO 269 Cb -0.00 -4.28 0.02 0.00 0.02 0.00 0.00 34.50 30.26 3i4j s PRO 269 CO 0.04 -2.40 0.01 -1.17 -0.33 0.00 0.00 177.00 173.15 3i4j s LEU 270 N 7.16 1.52 0.00 -5.54 2.96 -1.19 -4.50 118.68 119.09 3i4j s LEU 270 Ca 0.49 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 3i4j s LEU 270 Cb -0.10 -0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.56 3i4j s LEU 270 CO 0.17 -0.06 0.62 0.00 -1.32 0.00 0.00 176.35 175.76 3i4j n ALA 271 N 3.66 -1.00 0.00 5.97 0.00 -0.65 -3.96 120.51 124.53 3i4j n ALA 271 Ca -0.20 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3i4j n ALA 271 Cb 0.55 1.15 0.00 0.00 0.00 0.00 0.00 19.45 21.15 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 -0.55 -1.49 3.11 0.00 0.00 -0.29 -0.89 105.19 105.08 3i4j n GLY 272 Ca -0.04 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 1.87 -0.17 0.99 0.05 -0.43 0.14 118.68 121.14 3i4j s LEU 273 Ca 0.00 -0.56 0.01 0.00 0.05 0.00 0.00 54.13 53.62 3i4j s LEU 273 Cb 0.00 0.55 0.01 0.00 -2.05 0.00 0.00 46.19 44.70 3i4j s LEU 273 CO 0.00 -0.51 -0.17 -0.76 -0.55 0.00 0.00 176.35 174.36 3i4j s LEU 274 N -2.15 2.31 -0.06 1.48 1.43 0.13 -0.47 118.68 121.35 3i4j s LEU 274 Ca -0.05 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3i4j s LEU 274 Cb -0.01 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3i4j s LEU 274 CO -0.05 0.04 -0.11 0.00 0.23 0.00 0.00 176.35 176.47 3i4j s ALA 275 N 1.05 2.82 0.55 4.21 0.00 0.17 -1.19 121.76 129.38 3i4j s ALA 275 Ca -0.01 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 3i4j s ALA 275 Cb -0.14 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 3i4j s ALA 275 CO -0.05 0.56 1.34 0.00 0.00 0.00 0.00 175.76 177.61 3i4j s ALA 276 N -0.76 2.78 0.32 0.00 0.00 -0.36 -0.64 121.76 123.10 3i4j s ALA 276 Ca 0.12 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.47 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 -1.35 1.72 -1.35 0.00 0.00 0.00 175.76 174.79 3i4j h PRO 277 N 1.40 0.54 -0.49 0.00 0.11 -1.92 0.54 132.00 132.18 3i4j h PRO 277 Ca -0.51 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.64 3i4j h PRO 277 Cb 1.30 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3i4j h PRO 277 CO 0.57 0.36 0.15 0.37 -0.21 0.00 0.00 178.00 179.24 3i4j h GLN 278 N 0.56 0.30 -0.13 1.05 5.75 -1.97 0.13 115.11 120.80 3i4j h GLN 278 Ca 0.65 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 59.09 3i4j h GLN 278 Cb 1.24 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 3i4j h GLN 278 CO -0.49 0.20 -0.06 0.28 -2.65 0.00 0.00 178.83 176.12 3i4j h VAL 279 N 0.31 1.31 -0.05 2.39 2.07 -1.27 -2.45 116.25 118.56 3i4j h VAL 279 Ca 0.24 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3i4j h VAL 279 Cb 0.28 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3i4j h VAL 279 CO -0.27 0.31 0.03 0.22 0.02 0.00 0.00 177.57 177.88 3i4j h TYR 280 N -0.07 0.07 0.00 1.57 3.20 -1.00 -2.86 116.97 117.88 3i4j h TYR 280 Ca 0.03 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3i4j h TYR 280 Cb 0.51 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3i4j h TYR 280 CO 0.06 0.08 -0.20 0.93 -1.64 0.00 0.00 178.16 177.40 3i4j h GLU 281 N 0.04 0.00 -0.48 1.82 4.39 -0.81 -1.30 114.58 118.23 3i4j h GLU 281 Ca 0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3i4j h GLU 281 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3i4j h GLU 281 CO -0.00 0.20 -0.10 1.15 -1.16 0.00 0.00 179.01 179.09 3i4j h THR 282 N 0.00 1.27 -0.03 1.13 2.02 -1.22 0.34 112.91 116.41 3i4j h THR 282 Ca -0.00 -1.22 -0.22 0.00 0.77 0.00 0.00 66.41 65.74 3i4j h THR 282 Cb 0.36 1.07 0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3i4j h THR 282 CO 0.03 0.42 -0.83 1.62 0.37 0.00 0.00 175.52 177.13 3i4j h VAL 283 N 0.77 1.33 -0.53 3.16 3.04 -1.31 -2.59 116.25 120.11 3i4j h VAL 283 Ca 0.12 -2.11 -0.11 0.00 -1.01 0.00 0.00 66.70 63.59 3i4j h VAL 283 Cb 0.65 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.27 3i4j h VAL 283 CO 0.04 0.64 -0.11 0.24 -1.01 0.00 0.00 177.57 177.38 3i4j h MET 284 N 0.25 1.01 0.00 4.17 2.07 -1.21 -0.91 114.93 120.31 3i4j h MET 284 Ca -0.09 -0.37 0.00 0.00 -2.07 0.00 0.00 59.70 57.16 3i4j h MET 284 Cb 1.49 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 31.16 3i4j h MET 284 CO 0.16 1.05 0.00 0.78 1.07 0.00 0.00 176.91 179.98 3i4j h GLY 285 N 0.94 0.00 0.00 8.32 0.00 -0.39 -3.22 103.07 108.72 3i4j h GLY 285 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3i4j h GLY 285 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3i4j n GLY 286 N 0.63 0.83 0.27 4.60 0.00 -0.98 -4.77 105.19 105.78 3i4j n GLY 286 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.17 1.61 4.64 -1.82 -3.46 113.55 114.35 3i4j h SER 287 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 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 0.02 -0.07 0.61 -0.87 0.00 0.00 176.83 176.53 3i4j n GLY 288 N -1.35 0.64 3.19 -0.77 0.00 -0.36 -5.03 105.19 101.52 3i4j n GLY 288 Ca -0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.13 -0.70 0.00 4.61 0.00 -1.25 -4.88 121.76 117.41 3i4j s ALA 289 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3i4j s ALA 289 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3i4j s ALA 289 CO 0.00 -0.19 0.00 0.34 0.00 0.00 0.00 175.76 175.91 3i4j n PHE 290 N 2.13 0.00 -4.29 0.00 7.35 -1.26 -4.92 117.46 116.47 3i4j n PHE 290 Ca -0.17 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.29 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 1.14 -0.00 -4.13 -1.94 -1.26 -5.05 119.30 108.06 3i4j s MET 291 Ca 0.00 -1.23 0.06 0.00 -1.71 0.00 0.00 55.69 52.81 3i4j s MET 291 Cb 0.00 -1.30 -0.06 0.00 2.01 0.00 0.00 34.83 35.48 3i4j s MET 291 CO 0.00 0.29 0.23 0.72 -0.01 0.00 0.00 175.02 176.24 3i4j n HIS 292 N 0.82 0.00 -1.71 -0.03 8.25 -1.26 -5.05 115.22 116.23 3i4j n HIS 292 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.26 3i4j n HIS 292 Cb 0.55 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 1.23 -0.18 1.91 -1.41 0.00 -1.26 -4.90 105.19 100.58 3i4j n GLY 293 Ca 0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.87 -1.10 -0.17 1.61 3.72 -1.26 -4.88 117.46 113.52 3i4j n PHE 294 Ca 0.02 0.45 -0.01 0.00 -0.05 0.00 0.00 57.45 57.85 3i4j n PHE 294 Cb 0.07 -2.30 0.07 0.00 -0.94 0.00 0.00 39.48 36.38 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 0.66 0.61 -0.30 4.37 2.02 -2.02 -2.13 112.91 116.11 3i4j h THR 295 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3i4j h THR 295 Cb 0.27 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3i4j h THR 295 CO 0.06 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 3i4j n TYR 296 N -5.21 0.62 -1.90 3.16 4.01 -1.26 -4.71 117.16 111.88 3i4j n TYR 296 Ca 0.07 -0.26 -0.42 0.00 -0.16 0.00 0.00 57.90 57.13 3i4j n TYR 296 Cb 0.29 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.65 3.71 0.00 -0.72 0.00 -0.81 -1.38 121.76 120.92 3i4j s ALA 297 Ca 0.23 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3i4j s ALA 297 Cb 0.14 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3i4j s ALA 297 CO 0.12 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.23 3i4j n GLY 298 N 3.98 0.77 3.35 0.00 0.00 -1.19 -4.32 105.19 107.78 3i4j n GLY 298 Ca 0.16 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.57 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 1.29 -0.22 1.61 -0.00 -0.48 -4.78 115.22 110.28 3i4j n HIS 299 Ca 0.00 0.81 -0.00 0.00 -0.00 0.00 0.00 57.72 58.53 3i4j n HIS 299 Cb 0.00 -2.29 0.07 0.00 -0.00 0.00 0.00 29.99 27.77 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 8.44 -0.00 -0.71 1.57 0.11 -1.85 0.38 132.00 139.93 3i4j h PRO 300 Ca -0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3i4j h PRO 300 Cb 1.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 3i4j h PRO 300 CO 1.07 -0.00 0.36 0.28 -0.21 0.00 0.00 178.00 179.50 3i4j h VAL 301 N -0.00 1.23 -0.36 3.15 2.07 -1.78 0.74 116.25 121.29 3i4j h VAL 301 Ca 0.31 -0.62 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 3i4j h VAL 301 Cb 0.48 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3i4j h VAL 301 CO -0.67 0.26 -0.36 0.28 0.02 0.00 0.00 177.57 177.10 3i4j h SER 302 N 0.99 0.88 -0.65 0.57 0.02 -1.77 -2.30 113.55 111.29 3i4j h SER 302 Ca 0.25 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 3i4j h SER 302 Cb 0.09 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3i4j h SER 302 CO -0.03 1.14 0.19 0.58 -1.14 0.00 0.00 176.83 177.57 3i4j h VAL 303 N 0.69 1.25 -0.39 2.27 2.07 -0.59 -1.48 116.25 120.08 3i4j h VAL 303 Ca 0.07 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3i4j h VAL 303 Cb 0.92 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3i4j h VAL 303 CO 0.08 0.34 0.08 0.00 0.02 0.00 0.00 177.57 178.10 3i4j h ALA 304 N 1.20 1.42 -0.41 1.67 0.00 -0.62 -0.10 119.26 122.42 3i4j h ALA 304 Ca 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i4j h ALA 304 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i4j h ALA 304 CO -0.01 0.42 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 3i4j h ALA 305 N 1.53 0.56 -0.79 0.00 0.00 -0.82 -1.44 119.26 118.30 3i4j h ALA 305 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i4j h ALA 305 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i4j h ALA 305 CO -0.00 0.41 0.50 0.78 0.00 0.00 0.00 179.25 180.93 3i4j h GLY 306 N 0.59 1.13 1.02 0.00 0.00 -0.38 0.42 103.07 105.85 3i4j h GLY 306 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3i4j h GLY 306 CO 0.03 0.44 0.27 -2.00 0.00 0.00 0.00 176.54 175.28 3i4j h LEU 307 N 1.08 0.95 -0.33 3.11 5.85 -0.82 0.21 115.31 125.36 3i4j h LEU 307 Ca 0.29 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3i4j h LEU 307 Cb -0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 3i4j h LEU 307 CO -0.06 0.86 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.52 3i4j h SER 308 N 0.97 0.65 -0.93 1.25 0.87 -0.83 -0.99 113.55 114.55 3i4j h SER 308 Ca 0.23 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3i4j h SER 308 Cb 0.21 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 3i4j h SER 308 CO -0.02 0.88 0.58 0.58 -0.53 0.00 0.00 176.83 178.32 3i4j h VAL 309 N 0.42 1.25 -0.60 2.23 2.07 -0.74 -1.95 116.25 118.92 3i4j h VAL 309 Ca 0.08 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3i4j h VAL 309 Cb 0.61 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3i4j h VAL 309 CO 0.04 0.26 0.21 0.25 0.02 0.00 0.00 177.57 178.34 3i4j h LEU 310 N 1.27 0.86 -0.71 2.57 5.85 -0.65 0.22 115.31 124.72 3i4j h LEU 310 Ca 0.33 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3i4j h LEU 310 Cb -0.08 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 3i4j h LEU 310 CO -0.07 0.82 0.39 0.44 -0.34 0.00 0.00 178.44 179.69 3i4j h ASP 311 N 0.85 0.57 -0.22 1.25 3.32 -0.50 -1.53 116.42 120.16 3i4j h ASP 311 Ca 0.20 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3i4j h ASP 311 Cb 0.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i4j h ASP 311 CO -0.01 0.36 -0.07 0.40 -1.72 0.00 0.00 179.24 178.19 3i4j h ILE 312 N 0.71 1.29 -0.96 0.35 2.04 -0.91 -0.31 117.51 119.73 3i4j h ILE 312 Ca 0.33 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 65.15 3i4j h ILE 312 Cb 0.24 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3i4j h ILE 312 CO -0.21 0.34 0.62 0.58 0.00 0.00 0.00 178.15 179.48 3i4j h VAL 313 N 0.16 1.09 0.05 1.67 2.07 -0.57 -0.68 116.25 120.04 3i4j h VAL 313 Ca 0.05 -0.38 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 3i4j h VAL 313 Cb 0.54 -0.13 0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3i4j h VAL 313 CO 0.03 0.20 -0.70 -0.33 0.02 0.00 0.00 177.57 176.79 3i4j h GLU 314 N 1.12 0.38 -0.48 1.57 5.08 -1.23 -1.88 114.58 119.14 3i4j h GLU 314 Ca 0.41 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3i4j h GLU 314 Cb 0.16 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3i4j h GLU 314 CO -0.15 1.16 0.26 -0.09 -1.00 0.00 0.00 179.01 179.19 3i4j h ARG 315 N -0.18 0.68 -0.20 2.33 2.43 -0.76 -2.70 114.38 115.98 3i4j h ARG 315 Ca -0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3i4j h ARG 315 Cb 1.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3i4j h ARG 315 CO 0.13 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 3i4j n GLU 316 N -4.66 1.77 -4.01 0.20 1.02 -0.29 -4.95 120.64 109.73 3i4j n GLU 316 Ca 0.02 -1.16 -0.33 0.00 -0.02 0.00 0.00 57.16 55.66 3i4j n GLU 316 Cb 0.09 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.39 -2.05 0.29 1.62 2.03 -1.02 -4.78 116.55 113.04 3i4j n ASP 317 Ca 0.16 -1.15 0.19 0.00 0.52 0.00 0.00 54.79 54.51 3i4j n ASP 317 Cb 0.34 -2.44 0.89 0.00 -0.72 0.00 0.00 41.12 39.19 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 -2.05 0.00 -0.43 -2.67 3.38 -1.63 -0.84 115.31 111.08 3i4j h LEU 318 Ca -0.67 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.19 3i4j h LEU 318 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3i4j h LEU 318 CO 0.59 0.00 -0.17 0.74 0.09 0.00 0.00 178.44 179.69 3i4j h THR 319 N 0.00 1.28 -0.20 0.22 2.02 -1.82 0.44 112.91 114.85 3i4j h THR 319 Ca 0.00 -1.30 -0.17 0.00 0.77 0.00 0.00 66.41 65.71 3i4j h THR 319 Cb 0.29 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3i4j h THR 319 CO 0.00 0.44 -0.56 1.23 0.37 0.00 0.00 175.52 177.00 3i4j h GLY 320 N 0.69 0.66 1.03 2.16 0.00 -1.55 -2.98 103.07 103.07 3i4j h GLY 320 Ca 0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3i4j h GLY 320 CO 0.06 0.69 0.44 0.00 0.00 0.00 0.00 176.54 177.73 3i4j h ALA 321 N 0.93 1.10 -0.80 3.60 0.00 -0.96 -2.16 119.26 120.96 3i4j h ALA 321 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i4j h ALA 321 Cb 1.11 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3i4j h ALA 321 CO 0.11 0.63 0.53 0.00 0.00 0.00 0.00 179.25 180.52 3i4j h ALA 322 N 1.24 1.43 -0.06 0.00 0.00 -0.78 0.15 119.26 121.24 3i4j h ALA 322 Ca 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i4j h ALA 322 Cb 0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3i4j h ALA 322 CO -0.04 0.53 0.02 0.87 0.00 0.00 0.00 179.25 180.63 3i4j h LYS 323 N 1.08 0.09 0.16 0.00 1.57 -1.26 0.30 116.57 118.52 3i4j h LYS 323 Ca 0.29 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3i4j h LYS 323 Cb -0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3i4j h LYS 323 CO -0.06 0.25 -0.08 1.49 -0.57 0.00 0.00 179.45 180.48 3i4j h GLU 324 N -0.08 -0.21 0.00 3.15 4.81 -0.93 -1.80 114.58 119.52 3i4j h GLU 324 Ca 0.02 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3i4j h GLU 324 Cb 0.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3i4j h GLU 324 CO -0.00 0.14 -0.33 0.00 -0.73 0.00 0.00 179.01 178.09 3i4j h ARG 325 N -0.60 0.00 -0.47 1.92 2.47 -0.81 -2.35 114.38 114.53 3i4j h ARG 325 Ca -0.02 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 3i4j h ARG 325 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 3i4j h ARG 325 CO 0.04 0.33 -0.21 0.78 0.56 0.00 0.00 179.97 181.46 3i4j h GLY 326 N 0.99 1.05 1.13 0.04 0.00 -0.89 -0.65 103.07 104.73 3i4j h GLY 326 Ca -0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 47.33 46.30 3i4j h GLY 326 CO 0.04 0.84 -0.07 0.00 0.00 0.00 0.00 176.54 177.35 3i4j h ALA 327 N 0.91 0.81 -0.33 3.60 0.00 -1.02 -0.65 119.26 122.58 3i4j h ALA 327 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3i4j h ALA 327 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i4j h ALA 327 CO 0.07 0.67 0.10 0.37 0.00 0.00 0.00 179.25 180.45 3i4j h GLN 328 N 0.93 0.52 -0.53 0.00 4.15 -1.25 -1.22 115.11 117.71 3i4j h GLN 328 Ca 0.15 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 3i4j h GLN 328 Cb 0.63 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3i4j h GLN 328 CO 0.04 0.56 -0.11 1.25 -1.93 0.00 0.00 178.83 178.64 3i4j h LEU 329 N 0.38 0.99 -0.43 -2.39 5.85 -1.00 -1.75 115.31 116.96 3i4j h LEU 329 Ca 0.11 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3i4j h LEU 329 Cb 0.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i4j h LEU 329 CO -0.00 1.11 0.12 0.25 -0.34 0.00 0.00 178.44 179.57 3i4j h LEU 330 N 0.88 0.63 -1.25 2.25 5.85 -0.99 -0.77 115.31 121.92 3i4j h LEU 330 Ca 0.14 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3i4j h LEU 330 Cb 0.67 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3i4j h LEU 330 CO 0.05 0.69 0.51 0.00 -0.34 0.00 0.00 178.44 179.34 3i4j h ALA 331 N 0.97 1.45 -0.58 1.25 0.00 -1.11 -0.49 119.26 120.76 3i4j h ALA 331 Ca 0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i4j h ALA 331 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i4j h ALA 331 CO -0.00 0.51 0.03 0.78 0.00 0.00 0.00 179.25 180.57 3i4j h GLY 332 N 1.04 1.06 1.51 0.00 0.00 -0.69 -1.75 103.07 104.25 3i4j h GLY 332 Ca 0.28 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3i4j h GLY 332 CO -0.06 0.67 -0.44 1.41 0.00 0.00 0.00 176.54 178.12 3i4j h LEU 333 N 0.91 0.57 -0.72 3.11 3.38 -0.25 -2.37 115.31 119.95 3i4j h LEU 333 Ca 0.17 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3i4j h LEU 333 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3i4j h LEU 333 CO 0.02 0.94 -0.35 1.56 0.09 0.00 0.00 178.44 180.69 3i4j h GLN 334 N 0.43 0.58 -0.42 1.13 4.20 -0.90 0.13 115.11 120.26 3i4j h GLN 334 Ca 0.03 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 3i4j h GLN 334 Cb 0.95 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3i4j h GLN 334 CO 0.08 0.85 0.17 0.00 -0.67 0.00 0.00 178.83 179.27 3i4j h ALA 335 N 1.13 0.55 -0.34 3.87 0.00 -1.18 -2.17 119.26 121.11 3i4j h ALA 335 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3i4j h ALA 335 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3i4j h ALA 335 CO 0.07 0.15 0.04 -0.07 0.00 0.00 0.00 179.25 179.43 3i4j h LEU 336 N 0.54 0.46 -1.45 0.00 3.38 -1.10 -2.28 115.31 114.86 3i4j h LEU 336 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i4j h LEU 336 Cb 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3i4j h LEU 336 CO -0.01 0.51 0.35 -0.61 0.09 0.00 0.00 178.44 178.77 3i4j h GLN 337 N 0.49 0.72 0.00 1.13 4.15 -0.34 0.25 115.11 121.51 3i4j h GLN 337 Ca 0.11 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3i4j h GLN 337 Cb 0.26 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3i4j h GLN 337 CO 0.00 0.48 -0.16 0.00 -1.93 0.00 0.00 178.83 177.22 3i4j h ALA 338 N 1.65 1.19 0.06 3.38 0.00 -1.07 -2.98 119.26 121.50 3i4j h ALA 338 Ca 0.20 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 3i4j h ALA 338 Cb -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3i4j h ALA 338 CO -0.04 0.20 -1.92 -2.13 0.00 0.00 0.00 179.25 175.36 3i4j n ARG 339 N -3.56 0.70 -3.87 0.00 0.63 -0.23 -4.70 116.66 105.62 3i4j n ARG 339 Ca -0.01 0.26 -0.32 0.00 -0.92 0.00 0.00 57.85 56.85 3i4j n ARG 339 Cb 0.30 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.37 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 3.28 0.67 -0.14 0.08 0.72 -4.95 117.98 115.07 3i4j s PHE 340 Ca -0.15 -3.05 0.38 0.00 0.12 0.00 0.00 56.93 54.23 3i4j s PHE 340 Cb 0.07 -2.94 2.08 0.00 -0.57 0.00 0.00 43.02 41.66 3i4j s PHE 340 CO 0.79 -0.76 2.17 -1.00 -0.10 0.00 0.00 175.22 176.32 3i4j h PRO 341 N 6.57 0.00 0.00 0.24 0.13 -1.84 0.22 132.00 137.32 3i4j h PRO 341 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3i4j h PRO 341 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3i4j h PRO 341 CO 0.70 0.00 -0.01 1.96 -0.23 0.00 0.00 178.00 180.42 3i4j h GLN 342 N 0.00 0.00 -5.33 0.86 7.50 -1.88 -3.28 115.11 112.98 3i4j h GLN 342 Ca 0.00 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.51 3i4j h GLN 342 Cb 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.77 3i4j h GLN 342 CO 0.00 0.01 2.27 -1.33 -1.50 0.00 0.00 178.83 178.28 3i4j n MET 343 N -3.19 2.83 -0.26 1.46 2.81 0.06 -2.04 117.12 118.79 3i4j n MET 343 Ca -0.02 -2.95 0.03 0.00 -1.81 0.00 0.00 57.70 52.94 3i4j n MET 343 Cb 0.13 -3.45 0.16 0.00 -0.71 0.00 0.00 33.22 29.34 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 7.52 0.61 -3.97 0.03 2.86 -0.95 -3.43 114.93 117.60 3i4j h MET 344 Ca 0.44 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.81 3i4j h MET 344 Cb 0.82 -0.14 -0.26 0.00 0.06 0.00 0.00 31.60 32.08 3i4j h MET 344 CO 1.55 0.41 -0.72 -1.14 1.06 0.00 0.00 176.91 178.06 3i4j s GLN 345 N -6.04 0.20 -0.11 1.72 2.00 -0.92 -4.98 119.66 111.53 3i4j s GLN 345 Ca -0.12 -0.22 -0.01 0.00 -2.00 0.00 0.00 55.36 53.01 3i4j s GLN 345 Cb 0.19 -0.09 0.03 0.00 0.80 0.00 0.00 33.01 33.93 3i4j s GLN 345 CO 0.77 0.02 -0.07 0.08 -0.50 0.00 0.00 175.29 175.59 3i4j s VAL 346 N -0.43 0.98 0.23 1.34 1.01 -1.26 -0.31 120.40 121.96 3i4j s VAL 346 Ca -0.04 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3i4j s VAL 346 Cb -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3i4j s VAL 346 CO -0.00 0.35 -0.19 -0.13 0.00 0.00 0.00 175.10 175.13 3i4j s ARG 347 N 1.73 1.51 -0.29 2.72 0.52 -0.03 -4.99 118.95 120.11 3i4j s ARG 347 Ca 0.05 -1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 53.44 3i4j s ARG 347 Cb -0.13 -1.57 0.16 0.00 0.52 0.00 0.00 34.95 33.94 3i4j s ARG 347 CO -0.08 0.30 1.13 0.20 0.02 0.00 0.00 175.30 176.86 3i4j s GLY 348 N -3.19 0.17 -0.21 -3.53 0.00 -1.26 -1.55 107.32 97.75 3i4j s GLY 348 Ca 0.24 3.27 -0.03 0.00 0.00 0.00 0.00 44.72 48.20 3i4j s GLY 348 CO 0.11 2.38 0.07 -1.59 0.00 0.00 0.00 173.10 174.06 3i4j s THR 349 N 0.84 0.36 0.00 0.90 2.01 -0.75 -5.02 115.64 113.98 3i4j s THR 349 Ca -0.04 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3i4j s THR 349 Cb -0.04 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 3i4j s THR 349 CO -0.12 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 3i4j n GLY 350 N 5.10 2.82 2.07 4.40 0.00 -1.25 -2.19 105.19 116.15 3i4j n GLY 350 Ca -0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 6.26 -4.14 0.99 4.77 -0.05 -4.33 117.00 120.49 3i4j n LEU 351 Ca 0.00 -3.33 -0.35 0.00 -0.03 0.00 0.00 56.01 52.30 3i4j n LEU 351 Cb 0.00 -0.80 -0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3i4j n LEU 351 CO 0.00 0.98 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.55 3i4j s LEU 352 N -2.87 4.57 0.18 2.23 2.96 -0.93 -4.18 118.68 120.65 3i4j s LEU 352 Ca 0.50 -1.67 0.08 0.00 -0.22 0.00 0.00 54.13 52.81 3i4j s LEU 352 Cb 0.42 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3i4j s LEU 352 CO 0.10 -0.39 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.81 3i4j s LEU 353 N 1.18 2.50 0.02 -0.68 1.02 -0.28 -1.80 118.68 120.63 3i4j s LEU 353 Ca 0.02 -0.94 -0.09 0.00 0.02 0.00 0.00 54.13 53.14 3i4j s LEU 353 Cb -0.21 -0.74 0.00 0.00 0.02 0.00 0.00 46.19 45.27 3i4j s LEU 353 CO -0.03 -0.11 0.18 -0.83 0.02 0.00 0.00 176.35 175.59 3i4j s GLY 354 N -3.00 0.02 -0.10 -3.19 0.00 -0.59 0.03 107.32 100.49 3i4j s GLY 354 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 3i4j s GLY 354 CO 0.07 -0.34 -0.08 0.14 0.00 0.00 0.00 173.10 172.89 3i4j s VAL 355 N -2.03 0.99 -0.24 1.40 1.01 0.03 -0.85 120.40 120.70 3i4j s VAL 355 Ca -0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3i4j s VAL 355 Cb -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3i4j s VAL 355 CO -0.01 0.36 0.24 -0.69 0.00 0.00 0.00 175.10 174.99 3i4j s VAL 356 N 1.60 5.30 0.03 2.92 1.01 0.57 -1.05 120.40 130.79 3i4j s VAL 356 Ca 0.03 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3i4j s VAL 356 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3i4j s VAL 356 CO -0.07 0.30 -0.04 -0.76 0.00 0.00 0.00 175.10 174.53 3i4j s LEU 357 N 1.29 3.28 -0.39 3.92 1.43 -0.13 -0.66 118.68 127.42 3i4j s LEU 357 Ca 0.11 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3i4j s LEU 357 Cb -0.14 -1.93 0.25 0.00 0.03 0.00 0.00 46.19 44.40 3i4j s LEU 357 CO 0.06 0.25 0.53 0.61 0.23 0.00 0.00 176.35 178.04 3i4j n GLY 358 N 1.24 2.83 0.00 -3.19 0.00 -0.86 -4.83 105.19 100.38 3i4j n GLY 358 Ca -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 1.38 0.00 -0.11 -0.61 0.13 -1.26 -4.73 119.36 114.16 3i4j n ILE 371 Ca 0.21 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.82 3i4j n ILE 371 Cb 0.54 0.00 0.17 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 1.13 -0.64 1.51 0.00 -1.87 -1.75 119.26 117.63 3i4j h ALA 372 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3i4j h ALA 372 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3i4j h ALA 372 CO 0.00 0.56 0.25 0.77 0.00 0.00 0.00 179.25 180.84 3i4j h SER 373 N 0.75 0.89 -0.65 0.00 0.02 -1.97 -1.05 113.55 111.54 3i4j h SER 373 Ca 0.15 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3i4j h SER 373 Cb 0.42 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3i4j h SER 373 CO 0.02 0.82 0.13 0.03 -1.14 0.00 0.00 176.83 176.69 3i4j h ARG 374 N 0.91 1.06 -0.77 3.45 3.08 -1.91 -1.90 114.38 118.30 3i4j h ARG 374 Ca 0.21 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i4j h ARG 374 Cb 0.21 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3i4j h ARG 374 CO -0.02 0.97 0.28 0.82 -1.07 0.00 0.00 179.97 180.95 3i4j h ILE 375 N 0.98 1.26 -0.54 2.04 2.04 -1.04 -0.57 117.51 121.68 3i4j h ILE 375 Ca 0.20 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3i4j h ILE 375 Cb 0.40 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3i4j h ILE 375 CO 0.01 0.34 0.32 1.23 0.00 0.00 0.00 178.15 180.05 3i4j h GLY 376 N 1.12 0.79 0.96 5.37 0.00 -0.84 0.28 103.07 110.75 3i4j h GLY 376 Ca 0.25 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3i4j h GLY 376 CO -0.02 0.32 0.07 0.00 0.00 0.00 0.00 176.54 176.91 3i4j h ALA 377 N 1.15 0.60 -0.69 3.60 0.00 -1.02 0.19 119.26 123.09 3i4j h ALA 377 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3i4j h ALA 377 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i4j h ALA 377 CO -0.03 0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.70 3i4j h ALA 378 N 0.94 0.97 -0.65 0.00 0.00 -0.83 -1.90 119.26 117.79 3i4j h ALA 378 Ca 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3i4j h ALA 378 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i4j h ALA 378 CO 0.01 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.99 3i4j h ALA 379 N 1.11 0.87 -0.71 0.00 0.00 -0.19 -2.80 119.26 117.55 3i4j h ALA 379 Ca 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i4j h ALA 379 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i4j h ALA 379 CO 0.00 0.67 0.30 1.25 0.00 0.00 0.00 179.25 181.48 3i4j h LEU 380 N 1.02 0.96 -2.16 0.00 6.46 -0.57 0.43 115.31 121.45 3i4j h LEU 380 Ca 0.19 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3i4j h LEU 380 Cb 0.49 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3i4j h LEU 380 CO 0.02 0.85 -0.07 0.11 -0.62 0.00 0.00 178.44 178.73 3i4j h LYS 381 N 1.00 0.00 -0.01 1.25 1.57 -1.19 -0.05 116.57 119.14 3i4j h LYS 381 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3i4j h LYS 381 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3i4j h LYS 381 CO -0.02 0.07 -0.10 0.54 -0.57 0.00 0.00 179.45 179.36 3i4j n ARG 382 N -3.60 1.44 -0.41 3.15 1.74 -0.57 -4.94 116.66 113.47 3i4j n ARG 382 Ca -0.02 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 3i4j n ARG 382 Cb 0.18 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.25 0.85 3.24 -0.13 0.00 -0.03 -4.99 105.19 105.38 3i4j n GLY 383 Ca 0.16 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 2.92 0.01 0.99 2.96 0.03 0.06 118.68 125.65 3i4j s LEU 384 Ca 0.00 -0.61 -0.27 0.00 -0.22 0.00 0.00 54.13 53.03 3i4j s LEU 384 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3i4j s LEU 384 CO 0.00 -0.06 0.86 -0.63 -1.32 0.00 0.00 176.35 175.19 3i4j s ILE 385 N 1.40 4.83 0.40 6.68 -1.09 -0.16 -3.05 121.20 130.20 3i4j s ILE 385 Ca 0.04 1.80 0.06 0.00 -2.23 0.00 0.00 60.65 60.32 3i4j s ILE 385 Cb -0.15 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.45 3i4j s ILE 385 CO -0.05 0.25 0.02 0.42 -1.23 0.00 0.00 174.94 174.35 3i4j s THR 386 N 0.55 1.81 0.00 2.92 -4.23 -1.26 -1.81 115.64 113.62 3i4j s THR 386 Ca 0.44 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3i4j s THR 386 Cb -0.20 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3i4j s THR 386 CO 0.25 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.72 3i4j n TYR 387 N -0.93 0.00 0.00 3.99 9.36 -1.23 -4.78 117.16 123.57 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 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 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 -0.51 0.00 -4.40 2.98 5.68 -1.26 -4.94 116.55 114.10 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 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 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 -0.11 2.44 -0.13 2.11 3.76 -1.26 -0.96 115.29 121.13 3i4j s HIS 400 Ca 0.00 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 3i4j s HIS 400 Cb 0.00 -1.42 0.02 0.00 1.11 0.00 0.00 32.58 32.29 3i4j s HIS 400 CO 0.00 0.20 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.78 3i4j s LEU 401 N -1.37 1.67 -0.20 0.89 2.96 -0.21 -4.81 118.68 117.61 3i4j s LEU 401 Ca 0.13 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 3i4j s LEU 401 Cb -0.10 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 3i4j s LEU 401 CO 0.04 -0.02 0.06 -0.22 -1.32 0.00 0.00 176.35 174.88 3i4j s LEU 402 N 1.25 3.70 0.09 -0.68 2.96 -1.26 -0.79 118.68 123.94 3i4j s LEU 402 Ca -0.01 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.00 3i4j s LEU 402 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3i4j s LEU 402 CO -0.06 0.12 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.09 3i4j s LEU 403 N 0.67 2.34 -0.31 -0.68 1.43 0.10 -3.50 118.68 118.73 3i4j s LEU 403 Ca 0.03 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.40 3i4j s LEU 403 Cb -0.13 -1.31 0.21 0.00 0.03 0.00 0.00 46.19 44.99 3i4j s LEU 403 CO 0.02 0.22 1.16 -0.83 0.23 0.00 0.00 176.35 177.14 3i4j s GLY 404 N -1.71 -1.97 0.90 -3.19 0.00 -0.24 -1.13 107.32 99.98 3i4j s GLY 404 Ca 0.14 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 3i4j s GLY 404 CO 0.05 4.42 1.14 2.56 0.00 0.00 0.00 173.10 181.27 3i4j s PRO 405 N 1.14 1.24 0.39 2.90 0.04 -0.57 -2.37 135.00 137.76 3i4j s PRO 405 Ca 0.21 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.27 3i4j s PRO 405 Cb 0.13 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 3i4j s PRO 405 CO -0.12 -2.13 1.20 -2.30 0.04 0.00 0.00 177.00 173.68 3i4j n PRO 406 N -3.72 1.81 0.18 0.56 -0.02 -1.26 -4.79 135.00 127.77 3i4j n PRO 406 Ca 0.07 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3i4j n PRO 406 Cb 0.59 -2.25 0.65 0.00 -0.02 0.00 0.00 33.50 32.48 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 2.09 0.00 -1.13 2.45 4.07 -1.10 -1.20 115.31 120.49 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 0.60 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.42 3i4j n SER 408 N -2.39 1.70 -4.76 -0.43 3.41 -1.25 -4.47 113.62 105.44 3i4j n SER 408 Ca -0.01 -1.71 -0.39 0.00 -0.26 0.00 0.00 58.87 56.50 3i4j n SER 408 Cb 0.09 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.79 2.10 0.50 -1.33 2.07 -0.46 -5.00 121.20 117.29 3i4j s ILE 409 Ca 0.33 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3i4j s ILE 409 Cb 0.18 -3.05 0.01 0.00 0.13 0.00 0.00 42.46 39.73 3i4j s ILE 409 CO 0.27 0.01 0.74 0.42 -1.91 0.00 0.00 174.94 174.46 3i4j s THR 410 N -1.23 3.57 0.23 4.00 -4.23 -1.26 -4.94 115.64 111.78 3i4j s THR 410 Ca 0.63 -0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 60.59 3i4j s THR 410 Cb -0.43 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.27 3i4j s THR 410 CO 0.54 -0.26 1.90 0.00 -0.54 0.00 0.00 174.62 176.26 3i4j h ALA 411 N 0.21 1.09 -0.65 3.99 0.00 -2.00 -0.66 119.26 121.25 3i4j h ALA 411 Ca -0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3i4j h ALA 411 Cb 1.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3i4j h ALA 411 CO 0.57 0.49 0.23 0.00 0.00 0.00 0.00 179.25 180.53 3i4j h ALA 412 N 1.32 1.19 -0.04 0.00 0.00 -2.00 -2.18 119.26 117.56 3i4j h ALA 412 Ca 0.31 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3i4j h ALA 412 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3i4j h ALA 412 CO -0.07 0.58 -0.57 0.93 0.00 0.00 0.00 179.25 180.12 3i4j h GLU 413 N 0.94 0.13 -0.42 0.00 5.08 -1.74 -1.26 114.58 117.31 3i4j h GLU 413 Ca 0.22 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3i4j h GLU 413 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3i4j h GLU 413 CO -0.01 0.66 0.06 0.28 -1.00 0.00 0.00 179.01 178.99 3i4j h VAL 414 N 0.10 1.25 -0.44 3.13 2.07 -0.71 0.09 116.25 121.72 3i4j h VAL 414 Ca -0.00 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 3i4j h VAL 414 Cb 1.03 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3i4j h VAL 414 CO 0.08 0.31 0.12 0.44 0.02 0.00 0.00 177.57 178.54 3i4j h ASP 415 N 0.55 0.60 -0.52 0.57 3.32 -1.17 -1.06 116.42 118.72 3i4j h ASP 415 Ca 0.13 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3i4j h ASP 415 Cb 0.39 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3i4j h ASP 415 CO 0.01 0.59 -0.02 1.23 -1.72 0.00 0.00 179.24 179.33 3i4j h GLY 416 N 0.84 1.04 0.92 2.75 0.00 -0.65 -1.29 103.07 106.68 3i4j h GLY 416 Ca 0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3i4j h GLY 416 CO -0.01 0.70 0.12 -2.00 0.00 0.00 0.00 176.54 175.34 3i4j h LEU 417 N 0.89 0.38 -1.38 3.11 6.46 -0.29 -2.13 115.31 122.34 3i4j h LEU 417 Ca 0.16 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3i4j h LEU 417 Cb 0.54 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 3i4j h LEU 417 CO 0.03 0.43 0.16 -0.07 -0.62 0.00 0.00 178.44 178.37 3i4j h LEU 418 N 0.30 0.53 -0.44 2.25 3.38 -0.99 -0.51 115.31 119.83 3i4j h LEU 418 Ca 0.09 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3i4j h LEU 418 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3i4j h LEU 418 CO -0.01 0.48 -0.16 0.00 0.09 0.00 0.00 178.44 178.84 3i4j h ALA 419 N 1.60 0.61 -0.42 1.53 0.00 -0.92 0.00 119.26 121.65 3i4j h ALA 419 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3i4j h ALA 419 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i4j h ALA 419 CO -0.01 0.54 -0.04 -0.07 0.00 0.00 0.00 179.25 179.67 3i4j h LEU 420 N 0.71 0.77 -0.51 0.00 3.38 -0.94 -2.43 115.31 116.29 3i4j h LEU 420 Ca 0.10 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3i4j h LEU 420 Cb 0.72 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i4j h LEU 420 CO 0.05 0.91 0.24 0.25 0.09 0.00 0.00 178.44 179.99 3i4j h LEU 421 N 0.60 0.67 -0.87 1.67 5.85 -0.99 -1.90 115.31 120.36 3i4j h LEU 421 Ca 0.12 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3i4j h LEU 421 Cb 0.54 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3i4j h LEU 421 CO 0.03 0.62 0.53 0.00 -0.34 0.00 0.00 178.44 179.28 3i4j h ALA 422 N 1.08 1.22 -0.62 1.25 0.00 -0.88 0.14 119.26 121.45 3i4j h ALA 422 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i4j h ALA 422 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3i4j h ALA 422 CO -0.02 0.23 0.21 0.78 0.00 0.00 0.00 179.25 180.45 3i4j h GLY 423 N 0.93 1.02 1.17 0.00 0.00 -0.97 -0.59 103.07 104.62 3i4j h GLY 423 Ca 0.39 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3i4j h GLY 423 CO -0.20 0.55 0.01 0.00 0.00 0.00 0.00 176.54 176.90 3i4j h ALA 424 N 1.08 0.92 -0.44 3.60 0.00 -0.52 -1.24 119.26 122.65 3i4j h ALA 424 Ca 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i4j h ALA 424 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i4j h ALA 424 CO -0.01 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.96 3i4j h LEU 425 N 0.92 0.65 -0.98 0.00 3.38 -0.45 -2.40 115.31 116.43 3i4j h LEU 425 Ca 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3i4j h LEU 425 Cb 0.52 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3i4j h LEU 425 CO 0.03 0.68 0.30 -0.08 0.09 0.00 0.00 178.44 179.46 3i4j h GLU 426 N 0.58 1.03 -0.53 1.13 4.57 -0.87 0.70 114.58 121.20 3i4j h GLU 426 Ca 0.14 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3i4j h GLU 426 Cb 0.27 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3i4j h GLU 426 CO -0.00 0.83 0.35 -0.44 -1.18 0.00 0.00 179.01 178.56 3i4j h ASP 427 N 1.02 0.59 0.44 1.04 3.32 -0.91 -3.24 116.42 118.68 3i4j h ASP 427 Ca 0.24 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.97 3i4j h ASP 427 Cb 0.16 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 3i4j h ASP 427 CO -0.02 0.43 -1.71 0.58 -1.72 0.00 0.00 179.24 176.79 3i4j h VAL 428 N 0.70 0.88 -0.02 -1.35 2.07 -1.14 -3.52 116.25 113.88 3i4j h VAL 428 Ca 0.20 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.04 3i4j h VAL 428 Cb -0.07 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3i4j h VAL 428 CO -0.05 0.64 0.00 0.18 0.02 0.00 0.00 177.57 178.36