#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j3i n THR 2 N 0.00 0.21 -0.90 2.03 -1.04 -1.26 -1.67 114.28 111.65 2j3i n THR 2 Ca 0.00 -3.72 -0.14 0.00 -2.04 0.00 0.00 64.05 58.15 2j3i n THR 2 Cb 0.00 0.23 0.11 0.00 -1.82 0.00 0.00 70.33 68.85 2j3i n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2j3i n ALA 3 N 0.14 -1.39 -2.92 2.41 0.00 -0.37 -4.71 120.51 113.67 2j3i n ALA 3 Ca 0.17 -0.77 -0.27 0.00 0.00 0.00 0.00 53.44 52.57 2j3i n ALA 3 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 2j3i n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2j3i s THR 4 N -2.02 5.33 -0.08 0.00 -4.23 -1.26 -0.92 115.64 112.46 2j3i s THR 4 Ca 0.33 -0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2j3i s THR 4 Cb -0.03 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.12 2j3i s THR 4 CO 0.25 -0.06 -0.02 0.21 -0.54 0.00 0.00 174.62 174.46 2j3i s ASN 5 N -3.09 1.68 0.14 3.99 3.04 0.61 -4.63 114.94 116.67 2j3i s ASN 5 Ca 0.35 -0.14 -0.19 0.00 0.04 0.00 0.00 52.86 52.92 2j3i s ASN 5 Cb -0.11 -0.54 -0.07 0.00 -1.54 0.00 0.00 41.25 38.98 2j3i s ASN 5 CO 0.28 -0.16 0.63 -0.75 -3.04 0.00 0.00 177.10 174.06 2j3i s LYS 6 N 1.81 4.21 -0.07 0.43 2.47 -1.26 0.79 119.74 128.12 2j3i s LYS 6 Ca 0.04 0.76 -0.05 0.00 -1.56 0.00 0.00 55.97 55.16 2j3i s LYS 6 Cb -0.12 -3.09 0.03 0.00 -1.46 0.00 0.00 37.83 33.18 2j3i s LYS 6 CO -0.05 0.54 0.17 1.14 0.16 0.00 0.00 175.35 177.30 2j3i s GLN 7 N -1.50 0.16 -0.33 4.03 -2.07 0.63 -2.88 119.66 117.71 2j3i s GLN 7 Ca 0.35 0.30 -0.18 0.00 -1.82 0.00 0.00 55.36 54.01 2j3i s GLN 7 Cb -0.18 -0.02 -0.01 0.00 -1.09 0.00 0.00 33.01 31.71 2j3i s GLN 7 CO 0.20 -0.08 0.51 0.08 -1.32 0.00 0.00 175.29 174.68 2j3i s VAL 8 N 0.55 5.03 0.44 3.63 1.01 -0.44 -0.58 120.40 130.04 2j3i s VAL 8 Ca -0.04 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2j3i s VAL 8 Cb -0.05 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2j3i s VAL 8 CO -0.03 -0.13 0.26 2.30 0.00 0.00 0.00 175.10 177.51 2j3i n ILE 9 N 5.35 0.00 -4.69 2.22 -5.35 0.78 -2.95 119.36 114.72 2j3i n ILE 9 Ca -0.05 -1.82 -0.32 0.00 -0.27 0.00 0.00 62.75 60.30 2j3i n ILE 9 Cb 0.49 -0.01 -0.17 0.00 -1.74 0.00 0.00 39.64 38.22 2j3i n ILE 9 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2j3i s LEU 10 N 0.00 2.07 0.07 7.28 2.96 -1.21 -2.72 118.68 127.13 2j3i s LEU 10 Ca 0.20 -0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2j3i s LEU 10 Cb -0.02 -1.41 -0.15 0.00 0.50 0.00 0.00 46.19 45.12 2j3i s LEU 10 CO 0.13 0.08 1.46 0.11 -1.32 0.00 0.00 176.35 176.81 2j3i h LYS 11 N 7.29 -0.86 -1.06 1.98 1.79 -1.86 0.67 116.57 124.51 2j3i h LYS 11 Ca -0.31 0.06 0.30 0.00 -2.18 0.00 0.00 60.65 58.52 2j3i h LYS 11 Cb 1.19 0.20 -0.23 0.00 -1.58 0.00 0.00 32.23 31.81 2j3i h LYS 11 CO 0.54 -0.57 0.97 0.34 -1.08 0.00 0.00 179.45 179.65 2j3i s ASP 12 N -3.91 -0.02 -0.39 0.86 -1.08 -1.26 -3.97 116.67 106.90 2j3i s ASP 12 Ca -0.15 0.01 -0.35 0.00 -0.52 0.00 0.00 52.55 51.54 2j3i s ASP 12 Cb 0.03 0.02 -0.15 0.00 -1.46 0.00 0.00 42.92 41.36 2j3i s ASP 12 CO 0.49 -0.03 1.48 -1.22 0.52 0.00 0.00 175.17 176.41 2j3i n TYR 13 N 0.15 1.09 -2.02 -5.34 4.02 -1.26 -4.92 117.16 108.88 2j3i n TYR 13 Ca 0.04 0.71 -0.42 0.00 -0.01 0.00 0.00 57.90 58.22 2j3i n TYR 13 Cb 0.57 -1.75 -0.03 0.00 -0.02 0.00 0.00 39.34 38.12 2j3i n TYR 13 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2j3i s VAL 14 N 3.66 3.32 -0.16 -0.72 1.01 -1.04 -4.97 120.40 121.50 2j3i s VAL 14 Ca 0.88 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 2j3i s VAL 14 Cb -1.16 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 2j3i s VAL 14 CO 0.56 -0.01 -0.01 -0.44 0.00 0.00 0.00 175.10 175.20 2j3i s SER 15 N 2.47 5.05 1.10 3.32 0.01 -1.26 -4.61 113.70 119.78 2j3i s SER 15 Ca 0.71 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2j3i s SER 15 Cb -0.36 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2j3i s SER 15 CO 0.30 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2j3i n GLY 16 N 3.52 1.96 3.92 3.44 0.00 -1.26 -4.77 105.19 111.99 2j3i n GLY 16 Ca -0.17 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2j3i n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j3i s PHE 17 N 0.00 3.48 0.09 1.61 0.08 -1.26 -4.55 117.98 117.43 2j3i s PHE 17 Ca 0.00 0.48 -0.26 0.00 0.12 0.00 0.00 56.93 57.27 2j3i s PHE 17 Cb 0.00 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 2j3i s PHE 17 CO 0.00 0.29 0.81 -1.25 -0.10 0.00 0.00 175.22 174.97 2j3i s PRO 18 N -3.41 4.56 0.22 0.24 0.04 -1.26 -4.96 135.00 130.43 2j3i s PRO 18 Ca 0.41 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2j3i s PRO 18 Cb -0.11 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2j3i s PRO 18 CO 0.29 0.34 -0.09 0.95 0.04 0.00 0.00 177.00 178.54 2j3i s THR 19 N -0.33 1.50 0.53 1.26 -4.23 -1.26 -4.76 115.64 108.35 2j3i s THR 19 Ca 0.39 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.03 2j3i s THR 19 Cb -0.22 -2.18 0.41 0.00 1.34 0.00 0.00 72.50 71.86 2j3i s THR 19 CO 0.25 -0.49 1.97 -0.33 -0.54 0.00 0.00 174.62 175.48 2j3i h GLU 20 N 2.50 0.02 0.00 3.99 3.07 -1.93 0.84 114.58 123.07 2j3i h GLU 20 Ca -0.38 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.43 2j3i h GLU 20 Cb 1.22 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 2j3i h GLU 20 CO 0.64 0.01 -0.21 0.66 -1.40 0.00 0.00 179.01 178.71 2j3i h SER 21 N 0.02 0.00 0.00 1.42 4.64 -1.97 -2.39 113.55 115.26 2j3i h SER 21 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2j3i h SER 21 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2j3i h SER 21 CO -0.01 0.21 0.00 0.47 -0.87 0.00 0.00 176.83 176.63 2j3i n ASP 22 N -3.69 0.34 -3.92 4.97 9.92 0.29 -4.70 116.55 119.77 2j3i n ASP 22 Ca -0.01 -1.96 -0.16 0.00 -0.53 0.00 0.00 54.79 52.12 2j3i n ASP 22 Cb 0.33 -0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.49 2j3i n ASP 22 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2j3i s PHE 23 N -1.66 0.43 0.08 1.24 0.08 -0.90 -2.88 117.98 114.37 2j3i s PHE 23 Ca 0.00 -0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.03 2j3i s PHE 23 Cb 0.00 -0.34 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 2j3i s PHE 23 CO 0.00 -0.05 -0.15 0.34 -0.10 0.00 0.00 175.22 175.26 2j3i s ASP 24 N 0.23 1.83 -0.01 1.36 3.68 -1.10 -4.94 116.67 117.71 2j3i s ASP 24 Ca -0.02 -0.66 -0.03 0.00 2.13 0.00 0.00 52.55 53.98 2j3i s ASP 24 Cb -0.06 -0.06 -0.04 0.00 -1.45 0.00 0.00 42.92 41.31 2j3i s ASP 24 CO -0.00 -0.07 0.17 -0.36 0.13 0.00 0.00 175.17 175.03 2j3i s PHE 25 N -1.40 3.51 0.01 -5.34 2.99 -1.26 -0.16 117.98 116.33 2j3i s PHE 25 Ca 0.01 0.34 -0.18 0.00 0.00 0.00 0.00 56.93 57.10 2j3i s PHE 25 Cb -0.09 -1.82 0.03 0.00 0.00 0.00 0.00 43.02 41.14 2j3i s PHE 25 CO 0.03 0.64 0.40 0.95 -0.00 0.00 0.00 175.22 177.23 2j3i s THR 26 N -1.30 0.05 -0.23 0.64 -4.23 0.26 -4.95 115.64 105.88 2j3i s THR 26 Ca 0.26 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 2j3i s THR 26 Cb -0.13 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 72.92 2j3i s THR 26 CO 0.18 -0.23 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.02 2j3i s THR 27 N -1.85 2.43 0.48 3.99 2.01 -1.26 -0.27 115.64 121.17 2j3i s THR 27 Ca -0.09 -1.15 0.07 0.00 0.31 0.00 0.00 61.69 60.82 2j3i s THR 27 Cb -0.02 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.30 2j3i s THR 27 CO 0.02 0.25 0.65 0.42 -0.69 0.00 0.00 174.62 175.28 2j3i s THR 28 N 1.26 2.80 -0.09 -0.82 -4.23 0.24 -4.91 115.64 109.87 2j3i s THR 28 Ca -0.01 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2j3i s THR 28 Cb -0.16 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2j3i s THR 28 CO -0.07 0.00 -0.11 0.28 -0.54 0.00 0.00 174.62 174.18 2j3i s THR 29 N -2.50 1.13 -0.15 3.99 -1.32 -1.26 0.22 115.64 115.76 2j3i s THR 29 Ca 0.57 -0.42 -0.05 0.00 -1.21 0.00 0.00 61.69 60.58 2j3i s THR 29 Cb -0.09 -1.08 -0.03 0.00 -1.51 0.00 0.00 72.50 69.78 2j3i s THR 29 CO 0.35 0.37 0.01 -0.69 -2.21 0.00 0.00 174.62 172.45 2j3i s VAL 30 N 1.15 4.35 -0.41 5.08 1.01 -0.10 -4.84 120.40 126.65 2j3i s VAL 30 Ca -0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 2j3i s VAL 30 Cb -0.14 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2j3i s VAL 30 CO -0.02 0.51 1.14 -1.61 0.00 0.00 0.00 175.10 175.12 2j3i s GLU 31 N 0.02 3.85 -1.36 2.72 2.02 -1.26 -1.23 118.70 123.45 2j3i s GLU 31 Ca 0.03 0.80 -0.15 0.00 0.02 0.00 0.00 54.97 55.68 2j3i s GLU 31 Cb -0.13 -3.85 0.08 0.00 0.10 0.00 0.00 34.13 30.33 2j3i s GLU 31 CO 0.02 -1.20 1.95 1.28 0.02 0.00 0.00 175.26 177.32 2j3i n LEU 32 N 7.53 6.04 0.00 1.80 4.77 -0.67 -4.88 117.00 131.59 2j3i n LEU 32 Ca 0.12 -4.16 -0.18 0.00 -0.03 0.00 0.00 56.01 51.77 2j3i n LEU 32 Cb 0.48 -1.66 0.05 0.00 -2.33 0.00 0.00 43.42 39.96 2j3i n LEU 32 CO 0.67 0.79 0.27 -2.11 -1.33 0.00 0.00 177.39 175.67 2j3i n ARG 33 N 6.55 0.68 -0.32 3.23 1.85 -1.26 -4.87 116.66 122.52 2j3i n ARG 33 Ca 0.48 -2.74 0.15 0.00 -1.00 0.00 0.00 57.85 54.74 2j3i n ARG 33 Cb 0.41 -0.11 0.34 0.00 -1.05 0.00 0.00 32.46 32.05 2j3i n ARG 33 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2j3i h VAL 34 N 0.19 0.50 -0.69 8.89 2.07 -1.87 -3.41 116.25 121.92 2j3i h VAL 34 Ca -0.25 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2j3i h VAL 34 Cb 1.08 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2j3i h VAL 34 CO 0.36 0.09 0.00 -0.81 0.02 0.00 0.00 177.57 177.22 2j3i n PRO 35 N -4.98 3.69 -2.64 1.57 -0.04 -1.26 -2.81 135.00 128.52 2j3i n PRO 35 Ca 0.24 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.27 2j3i n PRO 35 Cb 0.69 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.13 2j3i n PRO 35 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2j3i s GLU 36 N 3.11 4.27 0.00 0.54 0.41 -1.26 -4.87 118.70 120.90 2j3i s GLU 36 Ca 0.00 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 2j3i s GLU 36 Cb 0.00 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 2j3i s GLU 36 CO 0.00 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 174.57 2j3i n GLY 37 N 3.32 -0.55 0.00 -1.39 0.00 -1.26 -5.03 105.19 100.28 2j3i n GLY 37 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2j3i n GLY 37 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2j3i n THR 38 N 7.19 0.00 -0.91 2.61 5.66 -1.26 -4.87 114.28 122.71 2j3i n THR 38 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 2j3i n THR 38 Cb 0.00 -0.03 0.02 0.00 -1.55 0.00 0.00 70.33 68.78 2j3i n THR 38 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2j3i n ASN 39 N 0.00 6.34 -4.80 1.09 3.02 -1.26 -4.62 115.26 115.03 2j3i n ASN 39 Ca 0.00 -3.00 -0.34 0.00 -0.03 0.00 0.00 54.58 51.20 2j3i n ASN 39 Cb 0.00 -1.09 -0.06 0.00 -0.61 0.00 0.00 39.78 38.02 2j3i n ASN 39 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2j3i s SER 40 N 0.40 6.99 0.08 6.41 0.01 -1.25 -3.51 113.70 122.82 2j3i s SER 40 Ca 0.31 1.78 0.05 0.00 1.31 0.00 0.00 55.95 59.40 2j3i s SER 40 Cb 0.23 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2j3i s SER 40 CO -0.02 -0.32 -0.14 0.68 0.41 0.00 0.00 173.24 173.84 2j3i s VAL 41 N -1.96 1.14 0.00 3.43 -7.23 -0.81 -0.51 120.40 114.45 2j3i s VAL 41 Ca 0.59 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 2j3i s VAL 41 Cb -0.13 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 2j3i s VAL 41 CO 0.18 -0.24 0.27 -0.22 -0.31 0.00 0.00 175.10 174.78 2j3i s LEU 42 N -1.80 4.38 0.07 1.32 0.20 0.14 -3.08 118.68 119.91 2j3i s LEU 42 Ca -0.01 0.59 -0.01 0.00 0.69 0.00 0.00 54.13 55.39 2j3i s LEU 42 Cb -0.10 -2.64 -0.04 0.00 -0.43 0.00 0.00 46.19 42.98 2j3i s LEU 42 CO 0.02 0.26 -0.02 0.68 -0.29 0.00 0.00 176.35 177.01 2j3i s VAL 43 N -1.27 0.24 -0.40 1.68 -7.23 0.60 0.44 120.40 114.45 2j3i s VAL 43 Ca 0.27 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 2j3i s VAL 43 Cb -0.13 -1.63 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2j3i s VAL 43 CO 0.15 -0.90 0.25 -0.75 -0.31 0.00 0.00 175.10 173.54 2j3i s LYS 44 N -3.94 2.74 -0.28 4.82 2.47 0.27 -0.87 119.74 124.95 2j3i s LYS 44 Ca 0.10 -1.27 -0.29 0.00 -1.56 0.00 0.00 55.97 52.95 2j3i s LYS 44 Cb 0.08 -3.79 -0.02 0.00 -1.46 0.00 0.00 37.83 32.64 2j3i s LYS 44 CO -0.08 -0.84 1.63 -0.80 0.16 0.00 0.00 175.35 175.42 2j3i s ASN 45 N 1.89 6.24 -0.12 1.43 0.02 0.23 -1.49 114.94 123.14 2j3i s ASN 45 Ca 0.02 1.41 -0.12 0.00 -1.02 0.00 0.00 52.86 53.15 2j3i s ASN 45 Cb -0.21 -2.53 -0.10 0.00 0.02 0.00 0.00 41.25 38.42 2j3i s ASN 45 CO 0.05 -1.41 0.30 -0.07 0.02 0.00 0.00 177.10 175.99 2j3i h LEU 46 N 12.32 0.00 -8.73 0.60 3.38 -1.70 -3.36 115.31 117.82 2j3i h LEU 46 Ca -0.33 -0.40 -0.37 0.00 0.09 0.00 0.00 57.88 56.88 2j3i h LEU 46 Cb 1.15 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2j3i h LEU 46 CO 1.02 0.71 -0.72 -0.31 0.09 0.00 0.00 178.44 179.23 2j3i s TYR 47 N -1.84 1.42 0.11 1.13 2.02 -0.82 -0.73 117.35 118.65 2j3i s TYR 47 Ca -0.08 -0.69 0.04 0.00 -0.37 0.00 0.00 57.07 55.97 2j3i s TYR 47 Cb -0.01 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2j3i s TYR 47 CO 0.28 0.18 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.83 2j3i s LEU 48 N -3.20 2.43 -0.04 -1.29 1.02 -0.88 -1.99 118.68 114.72 2j3i s LEU 48 Ca 0.19 -0.85 0.05 0.00 0.02 0.00 0.00 54.13 53.54 2j3i s LEU 48 Cb 0.01 -0.32 -0.01 0.00 0.02 0.00 0.00 46.19 45.90 2j3i s LEU 48 CO 0.03 -0.27 -0.21 -0.55 0.02 0.00 0.00 176.35 175.36 2j3i s SER 49 N -2.59 2.59 -0.51 2.29 0.15 -0.57 -0.82 113.70 114.24 2j3i s SER 49 Ca 0.08 -0.42 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 2j3i s SER 49 Cb -0.02 -0.64 0.10 0.00 -1.71 0.00 0.00 66.02 63.76 2j3i s SER 49 CO 0.00 0.21 0.45 0.00 1.20 0.00 0.00 173.24 175.10 2j3i s ASP 51 N 3.14 6.51 0.12 0.00 -0.00 -1.26 -4.29 116.67 120.89 2j3i s ASP 51 Ca 0.03 0.62 0.16 0.00 -0.00 0.00 0.00 52.55 53.37 2j3i s ASP 51 Cb -0.27 -2.30 0.70 0.00 -0.00 0.00 0.00 42.92 41.05 2j3i s ASP 51 CO 0.05 -0.29 1.50 -2.65 -0.00 0.00 0.00 175.17 173.78 2j3i n PRO 52 N 5.41 0.08 0.30 8.23 -0.02 -1.26 -3.24 135.00 144.50 2j3i n PRO 52 Ca -0.03 0.38 0.19 0.00 -2.02 0.00 0.00 63.50 62.03 2j3i n PRO 52 Cb 0.50 -1.67 0.91 0.00 -0.02 0.00 0.00 33.50 33.22 2j3i n PRO 52 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2j3i h TYR 53 N 0.00 0.00 -0.35 6.00 -0.00 -2.02 -3.26 116.97 117.35 2j3i h TYR 53 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.81 2j3i h TYR 53 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.94 2j3i h TYR 53 CO 0.00 0.00 0.24 0.52 -0.00 0.00 0.00 178.16 178.93 2j3i h MET 54 N 0.00 0.11 -0.02 0.10 2.86 -1.96 -1.00 114.93 115.02 2j3i h MET 54 Ca -0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2j3i h MET 54 Cb 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2j3i h MET 54 CO 0.00 0.07 0.01 -0.09 1.06 0.00 0.00 176.91 177.96 2j3i h ARG 55 N 0.12 0.03 -0.68 1.72 9.65 -1.83 -0.29 114.38 123.09 2j3i h ARG 55 Ca 0.16 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 2j3i h ARG 55 Cb 0.49 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2j3i h ARG 55 CO -0.02 0.18 0.42 0.82 2.80 0.00 0.00 179.97 184.17 2j3i h ILE 56 N -0.13 1.08 0.00 1.20 2.04 -1.71 -1.24 117.51 118.74 2j3i h ILE 56 Ca 0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2j3i h ILE 56 Cb 0.16 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2j3i h ILE 56 CO -0.00 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.84 2j3i n ARG 57 N -4.69 0.07 -0.56 2.37 5.12 -0.42 -2.92 116.66 115.63 2j3i n ARG 57 Ca 0.07 0.40 0.03 0.00 -1.93 0.00 0.00 57.85 56.43 2j3i n ARG 57 Cb 0.09 -1.65 0.20 0.00 -1.16 0.00 0.00 32.46 29.94 2j3i n ARG 57 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2j3i n MET 58 N -1.78 1.78 -3.58 5.56 0.00 -0.17 -2.07 117.12 116.86 2j3i n MET 58 Ca 0.02 -3.08 -0.23 0.00 0.00 0.00 0.00 57.70 54.40 2j3i n MET 58 Cb 0.12 -1.70 0.01 0.00 0.00 0.00 0.00 33.22 31.66 2j3i n MET 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2j3i s GLY 59 N -2.77 2.14 -0.49 3.17 0.00 -1.14 -2.51 107.32 105.72 2j3i s GLY 59 Ca 0.40 -1.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.37 2j3i s GLY 59 CO -0.01 -1.83 0.40 -1.59 0.00 0.00 0.00 173.10 170.08 2j3i s LYS 60 N -4.38 2.83 0.00 2.90 -2.85 -1.26 -4.91 119.74 112.07 2j3i s LYS 60 Ca 0.45 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 2j3i s LYS 60 Cb -0.03 -4.10 0.00 0.00 -2.06 0.00 0.00 37.83 31.63 2j3i s LYS 60 CO 0.28 -1.16 0.00 0.94 0.10 0.00 0.00 175.35 175.51 2j3i n GLN 70 N 5.12 0.00 -3.75 1.78 7.27 -1.26 -5.18 117.38 121.37 2j3i n GLN 70 Ca -0.12 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.83 2j3i n GLN 70 Cb 0.42 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.95 2j3i n GLN 70 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2j3i s ALA 71 N 0.00 -0.71 0.33 1.69 0.00 -1.26 -4.76 121.76 117.05 2j3i s ALA 71 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 2j3i s ALA 71 Cb 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 2j3i s ALA 71 CO 0.00 -0.17 1.30 0.71 0.00 0.00 0.00 175.76 177.60 2j3i s TYR 72 N 0.63 3.07 -0.01 0.00 1.51 -0.88 -4.95 117.35 116.72 2j3i s TYR 72 Ca -0.04 1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 57.15 2j3i s TYR 72 Cb -0.05 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.10 2j3i s TYR 72 CO -0.04 -1.81 1.09 0.95 -1.11 0.00 0.00 175.55 174.64 2j3i s THR 73 N -1.14 4.48 0.19 -0.71 -4.23 -1.26 -4.93 115.64 108.03 2j3i s THR 73 Ca 0.49 1.78 -0.31 0.00 -1.18 0.00 0.00 61.69 62.46 2j3i s THR 73 Cb -0.39 -4.14 -0.16 0.00 1.34 0.00 0.00 72.50 69.15 2j3i s THR 73 CO 0.52 0.09 0.94 -2.65 -0.54 0.00 0.00 174.62 172.99 2j3i n PRO 74 N 4.31 0.79 0.00 3.99 -0.02 -1.26 -1.88 135.00 140.92 2j3i n PRO 74 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2j3i n PRO 74 Cb 0.48 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2j3i n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j3i n GLY 75 N 1.76 3.11 3.89 -1.23 0.00 0.23 -5.01 105.19 107.93 2j3i n GLY 75 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2j3i n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j3i s GLN 76 N -0.32 3.46 0.20 1.61 -1.52 -0.79 -4.77 119.66 117.54 2j3i s GLN 76 Ca 0.00 -0.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.93 2j3i s GLN 76 Cb 0.00 -3.16 -0.16 0.00 -0.22 0.00 0.00 33.01 29.48 2j3i s GLN 76 CO 0.00 0.74 0.90 -0.35 -0.25 0.00 0.00 175.29 176.32 2j3i n PRO 77 N 1.60 0.74 -2.37 2.91 -0.04 -1.26 -3.32 135.00 133.26 2j3i n PRO 77 Ca -0.16 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2j3i n PRO 77 Cb 0.54 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2j3i n PRO 77 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2j3i s ILE 78 N -0.71 4.01 0.38 0.52 -4.36 -1.15 -4.71 121.20 115.17 2j3i s ILE 78 Ca 0.67 1.39 -0.18 0.00 -0.26 0.00 0.00 60.65 62.27 2j3i s ILE 78 Cb -0.87 -3.89 -0.10 0.00 1.25 0.00 0.00 42.46 38.85 2j3i s ILE 78 CO 0.56 0.03 0.84 -1.10 0.24 0.00 0.00 174.94 175.51 2j3i s GLN 79 N 1.97 4.10 -0.03 0.37 -0.21 -1.26 -2.10 119.66 122.50 2j3i s GLN 79 Ca 0.59 0.87 -0.31 0.00 0.02 0.00 0.00 55.36 56.54 2j3i s GLN 79 Cb -0.28 -2.31 0.12 0.00 1.00 0.00 0.00 33.01 31.53 2j3i s GLN 79 CO 0.25 0.06 1.23 0.20 -2.12 0.00 0.00 175.29 174.91 2j3i s GLY 80 N -2.26 -0.38 0.50 3.09 0.00 -0.31 -4.95 107.32 103.01 2j3i s GLY 80 Ca 0.58 0.80 -0.22 0.00 0.00 0.00 0.00 44.72 45.87 2j3i s GLY 80 CO 0.16 0.18 1.21 -0.19 0.00 0.00 0.00 173.10 174.46 2j3i s TYR 81 N -2.53 2.66 -0.02 1.90 2.02 -1.26 -1.89 117.35 118.24 2j3i s TYR 81 Ca 0.13 1.50 -0.28 0.00 -0.37 0.00 0.00 57.07 58.04 2j3i s TYR 81 Cb 0.03 -3.48 0.10 0.00 -0.40 0.00 0.00 41.96 38.21 2j3i s TYR 81 CO -0.03 -1.92 0.85 0.20 -1.57 0.00 0.00 175.55 173.08 2j3i s GLY 82 N -1.33 -0.46 -0.13 0.71 0.00 -1.06 -1.51 107.32 103.54 2j3i s GLY 82 Ca 0.68 1.15 -0.05 0.00 0.00 0.00 0.00 44.72 46.49 2j3i s GLY 82 CO 0.37 0.48 0.07 0.54 0.00 0.00 0.00 173.10 174.56 2j3i s VAL 83 N -2.70 4.88 0.25 1.40 0.11 -0.84 -2.41 120.40 121.09 2j3i s VAL 83 Ca 0.02 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2j3i s VAL 83 Cb -0.01 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2j3i s VAL 83 CO -0.06 0.56 0.15 -0.44 -3.33 0.00 0.00 175.10 171.98 2j3i s SER 84 N -0.54 0.81 -0.07 3.54 0.01 0.11 -1.94 113.70 115.63 2j3i s SER 84 Ca 0.11 -1.46 0.05 0.00 1.31 0.00 0.00 55.95 55.96 2j3i s SER 84 Cb -0.12 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 2j3i s SER 84 CO 0.02 -0.85 -0.24 -0.60 0.41 0.00 0.00 173.24 171.98 2j3i s ARG 85 N -3.99 2.65 -0.01 12.44 3.52 -0.56 -1.23 118.95 131.78 2j3i s ARG 85 Ca 0.38 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 2j3i s ARG 85 Cb 0.06 -2.16 -0.06 0.00 -1.56 0.00 0.00 34.95 31.23 2j3i s ARG 85 CO 0.15 0.31 1.55 0.42 -0.81 0.00 0.00 175.30 176.93 2j3i s ILE 86 N 0.01 3.50 0.00 4.11 -1.09 0.95 -0.56 121.20 128.11 2j3i s ILE 86 Ca -0.08 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2j3i s ILE 86 Cb -0.15 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2j3i s ILE 86 CO 0.05 -0.03 0.00 -0.38 -1.23 0.00 0.00 174.94 173.35 2j3i n ILE 87 N 4.99 0.00 -4.79 2.92 2.08 0.17 -3.94 119.36 120.79 2j3i n ILE 87 Ca 0.15 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.14 2j3i n ILE 87 Cb 0.42 -0.29 -0.13 0.00 -0.75 0.00 0.00 39.64 38.90 2j3i n ILE 87 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2j3i s GLU 88 N 0.00 2.42 0.45 0.38 0.41 -1.19 -4.26 118.70 116.91 2j3i s GLU 88 Ca 0.00 -0.75 0.08 0.00 -0.41 0.00 0.00 54.97 53.88 2j3i s GLU 88 Cb 0.00 -2.36 -0.00 0.00 -1.78 0.00 0.00 34.13 29.99 2j3i s GLU 88 CO 0.00 0.60 0.44 0.45 -0.49 0.00 0.00 175.26 176.26 2j3i s SER 89 N -0.96 5.07 0.00 -0.19 0.15 -1.12 0.29 113.70 116.93 2j3i s SER 89 Ca 0.13 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2j3i s SER 89 Cb -0.11 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2j3i s SER 89 CO 0.02 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2j3i n GLY 90 N -1.66 0.67 3.57 9.45 0.00 0.33 -4.39 105.19 113.16 2j3i n GLY 90 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2j3i n GLY 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2j3i s HIS 91 N 0.00 3.09 0.23 1.61 5.04 -0.71 -3.96 115.29 120.60 2j3i s HIS 91 Ca 0.00 -0.09 -0.16 0.00 -1.54 0.00 0.00 55.06 53.27 2j3i s HIS 91 Cb 0.00 -1.92 0.27 0.00 0.04 0.00 0.00 32.58 30.97 2j3i s HIS 91 CO 0.00 0.15 1.56 -1.35 -2.34 0.00 0.00 174.74 172.76 2j3i h PRO 92 N 6.20 -0.03 0.00 2.88 0.11 -1.93 -3.14 132.00 136.09 2j3i h PRO 92 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2j3i h PRO 92 Cb 1.19 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2j3i h PRO 92 CO 0.61 -0.02 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.82 2j3i h ASP 93 N -0.03 0.00 -3.56 -2.05 3.45 -1.98 -3.43 116.42 108.83 2j3i h ASP 93 Ca 0.35 0.00 -0.71 0.00 0.43 0.00 0.00 57.03 57.10 2j3i h ASP 93 Cb 0.61 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.13 2j3i h ASP 93 CO -0.93 0.13 -0.50 -0.31 -1.57 0.00 0.00 179.24 176.06 2j3i s TYR 94 N -3.58 3.26 0.35 4.55 2.02 -1.19 -5.07 117.35 117.68 2j3i s TYR 94 Ca 0.02 -1.07 -0.28 0.00 -0.37 0.00 0.00 57.07 55.37 2j3i s TYR 94 Cb 0.09 -2.54 -0.10 0.00 -0.40 0.00 0.00 41.96 39.01 2j3i s TYR 94 CO 0.61 -0.69 1.32 0.15 -1.57 0.00 0.00 175.55 175.37 2j3i s LYS 95 N 1.53 4.27 0.00 -0.62 1.02 -1.26 -4.70 119.74 119.98 2j3i s LYS 95 Ca 0.02 2.23 0.00 0.00 0.02 0.00 0.00 55.97 58.24 2j3i s LYS 95 Cb -0.20 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2j3i s LYS 95 CO 0.06 -0.27 0.00 1.63 -0.92 0.00 0.00 175.35 175.85 2j3i n LYS 96 N 0.65 0.00 -0.52 1.68 5.02 -1.26 -3.08 118.16 120.64 2j3i n LYS 96 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 2j3i n LYS 96 Cb 0.42 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 2j3i n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j3i n GLY 97 N 1.58 0.20 0.00 0.72 0.00 -1.25 -4.72 105.19 101.71 2j3i n GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j3i n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j3i n ASP 98 N 0.00 1.20 -4.77 1.61 3.85 -1.18 -4.69 116.55 112.57 2j3i n ASP 98 Ca -0.08 -0.97 -0.37 0.00 -0.71 0.00 0.00 54.79 52.67 2j3i n ASP 98 Cb 0.37 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.07 2j3i n ASP 98 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2j3i s LEU 99 N 0.00 4.30 0.22 -2.12 1.43 -1.26 -0.03 118.68 121.21 2j3i s LEU 99 Ca 0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2j3i s LEU 99 Cb 0.00 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 2j3i s LEU 99 CO 0.00 0.19 -0.00 -0.22 0.23 0.00 0.00 176.35 176.54 2j3i s LEU 100 N 0.00 2.17 0.09 1.79 0.20 -0.37 -0.21 118.68 122.36 2j3i s LEU 100 Ca 0.16 -1.21 -0.06 0.00 0.69 0.00 0.00 54.13 53.72 2j3i s LEU 100 Cb -0.13 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.38 2j3i s LEU 100 CO 0.05 -0.52 0.13 -1.66 -0.29 0.00 0.00 176.35 174.05 2j3i s TRP 101 N -3.47 0.36 -4.76 5.38 1.48 -1.09 -0.71 118.94 116.12 2j3i s TRP 101 Ca 0.28 -0.80 0.00 0.00 -1.06 0.00 0.00 56.10 54.51 2j3i s TRP 101 Cb 0.06 -0.19 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 2j3i s TRP 101 CO 0.08 -0.52 0.00 0.41 -4.06 0.00 0.00 176.95 172.86 2j3i n GLY 102 N -0.04 0.96 3.68 3.67 0.00 -1.01 -2.11 105.19 110.35 2j3i n GLY 102 Ca -0.13 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2j3i n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j3i s ILE 103 N -1.97 3.78 0.05 -0.61 -1.09 -1.26 -2.56 121.20 117.53 2j3i s ILE 103 Ca 0.00 1.13 -0.05 0.00 -2.23 0.00 0.00 60.65 59.50 2j3i s ILE 103 Cb 0.00 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2j3i s ILE 103 CO 0.00 -0.02 0.07 0.68 -1.23 0.00 0.00 174.94 174.44 2j3i s VAL 104 N 2.59 0.15 0.86 2.92 -7.23 -0.79 -4.96 120.40 113.95 2j3i s VAL 104 Ca 0.63 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 2j3i s VAL 104 Cb -0.30 -1.04 0.11 0.00 0.56 0.00 0.00 36.38 35.70 2j3i s VAL 104 CO 0.25 -0.69 1.09 0.00 -0.31 0.00 0.00 175.10 175.45 2j3i s ALA 105 N -2.97 1.80 -0.85 1.32 0.00 -1.26 -1.16 121.76 118.65 2j3i s ALA 105 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2j3i s ALA 105 Cb 0.01 -3.16 0.13 0.00 0.00 0.00 0.00 23.12 20.11 2j3i s ALA 105 CO -0.06 -2.13 1.01 -1.58 0.00 0.00 0.00 175.76 172.99 2j3i s TRP 106 N -3.02 3.15 0.35 0.00 0.52 -0.89 -4.80 118.94 114.25 2j3i s TRP 106 Ca 0.62 -1.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.30 2j3i s TRP 106 Cb -0.17 -4.18 0.03 0.00 -1.15 0.00 0.00 33.47 28.00 2j3i s TRP 106 CO 0.56 -1.41 0.64 -1.21 0.02 0.00 0.00 176.95 175.55 2j3i s GLU 107 N 2.46 2.03 -0.21 4.98 2.02 -1.26 -1.33 118.70 127.39 2j3i s GLU 107 Ca 0.27 -1.51 0.09 0.00 0.02 0.00 0.00 54.97 53.84 2j3i s GLU 107 Cb -0.09 0.54 -0.22 0.00 0.10 0.00 0.00 34.13 34.47 2j3i s GLU 107 CO -0.05 -0.90 0.02 0.39 0.02 0.00 0.00 175.26 174.73 2j3i n GLU 108 N -0.53 0.67 -3.98 1.61 1.02 -1.14 -4.57 120.64 113.73 2j3i n GLU 108 Ca -0.04 0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 2j3i n GLU 108 Cb 0.61 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 2j3i n GLU 108 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2j3i s TYR 109 N -2.52 3.33 0.26 -0.32 4.12 -1.26 0.74 117.35 121.70 2j3i s TYR 109 Ca -0.21 -2.67 0.12 0.00 0.02 0.00 0.00 57.07 54.33 2j3i s TYR 109 Cb 0.07 -2.57 -0.05 0.00 -1.52 0.00 0.00 41.96 37.90 2j3i s TYR 109 CO 0.73 -0.92 -0.21 0.45 0.02 0.00 0.00 175.55 175.62 2j3i s SER 110 N 1.06 3.53 -0.17 2.29 0.15 -0.05 -4.93 113.70 115.58 2j3i s SER 110 Ca 0.08 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 55.75 2j3i s SER 110 Cb -0.19 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.86 2j3i s SER 110 CO -0.10 0.06 -0.14 -0.69 1.20 0.00 0.00 173.24 173.57 2j3i s VAL 111 N -2.30 1.65 -0.01 4.45 1.01 -1.26 -0.29 120.40 123.65 2j3i s VAL 111 Ca 0.27 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2j3i s VAL 111 Cb -0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2j3i s VAL 111 CO 0.14 0.38 -0.10 0.27 0.00 0.00 0.00 175.10 175.78 2j3i s ILE 112 N 1.44 0.80 -0.53 2.22 -4.36 -1.18 -4.99 121.20 114.60 2j3i s ILE 112 Ca 0.03 -0.42 -0.17 0.00 -0.26 0.00 0.00 60.65 59.84 2j3i s ILE 112 Cb -0.14 -0.68 0.10 0.00 1.25 0.00 0.00 42.46 43.00 2j3i s ILE 112 CO -0.10 0.23 0.52 0.28 0.24 0.00 0.00 174.94 176.11 2j3i s THR 113 N -0.15 5.11 0.38 8.37 -1.32 -1.26 -1.93 115.64 124.85 2j3i s THR 113 Ca 0.02 -1.21 -0.26 0.00 -1.21 0.00 0.00 61.69 59.04 2j3i s THR 113 Cb -0.05 -4.31 -0.11 0.00 -1.51 0.00 0.00 72.50 66.51 2j3i s THR 113 CO -0.00 -0.84 1.06 -2.65 -2.21 0.00 0.00 174.62 169.97 2j3i n PRO 114 N 5.52 1.48 -4.00 7.08 -0.02 -1.23 -4.90 135.00 138.94 2j3i n PRO 114 Ca -0.12 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 2j3i n PRO 114 Cb 0.42 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 2j3i n PRO 114 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2j3i s MET 115 N -1.91 0.23 0.63 -0.52 -1.94 -1.26 -4.99 119.30 109.52 2j3i s MET 115 Ca 0.61 -0.20 0.19 0.00 -1.71 0.00 0.00 55.69 54.57 2j3i s MET 115 Cb -0.58 -0.15 1.02 0.00 2.01 0.00 0.00 34.83 37.12 2j3i s MET 115 CO 0.58 0.04 1.56 0.00 -0.01 0.00 0.00 175.02 177.19 2j3i h THR 116 N 4.99 0.00 0.00 2.05 1.03 -1.96 -1.80 112.91 117.21 2j3i h THR 116 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2j3i h THR 116 Cb 1.20 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 2j3i h THR 116 CO 0.49 0.00 -0.09 1.41 -0.01 0.00 0.00 175.52 177.31 2j3i n HIS 117 N -2.67 0.00 -0.06 0.00 8.25 -1.26 -4.59 115.22 114.88 2j3i n HIS 117 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 2j3i n HIS 117 Cb 0.57 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 2j3i n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j3i h ALA 118 N 0.13 0.03 -2.54 -1.41 0.00 -1.89 -3.47 119.26 110.11 2j3i h ALA 118 Ca 0.00 -0.35 -0.71 0.00 0.00 0.00 0.00 54.91 53.85 2j3i h ALA 118 Cb 0.02 0.24 -0.20 0.00 0.00 0.00 0.00 17.79 17.85 2j3i h ALA 118 CO 0.00 0.24 -0.43 -1.01 0.00 0.00 0.00 179.25 178.05 2j3i s HIS 119 N -1.94 3.23 0.49 0.00 4.02 -0.70 -4.12 115.29 116.28 2j3i s HIS 119 Ca -0.10 -0.49 0.05 0.00 1.02 0.00 0.00 55.06 55.54 2j3i s HIS 119 Cb 0.01 -2.58 0.03 0.00 -1.02 0.00 0.00 32.58 29.02 2j3i s HIS 119 CO 0.22 -0.54 0.68 -0.06 1.02 0.00 0.00 174.74 176.06 2j3i s PHE 120 N 1.71 2.66 -0.09 1.40 0.40 -0.90 -4.47 117.98 118.70 2j3i s PHE 120 Ca 0.06 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 2j3i s PHE 120 Cb -0.19 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.83 2j3i s PHE 120 CO 0.10 -0.70 -0.13 0.21 0.70 0.00 0.00 175.22 175.40 2j3i s LYS 121 N -4.56 1.92 -0.27 0.44 2.20 -1.26 -2.68 119.74 115.54 2j3i s LYS 121 Ca 0.57 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 2j3i s LYS 121 Cb -0.10 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 2j3i s LYS 121 CO 0.36 -0.07 1.21 0.42 -0.36 0.00 0.00 175.35 176.91 2j3i s ILE 122 N 0.99 4.32 -0.13 5.43 1.01 0.71 -4.91 121.20 128.62 2j3i s ILE 122 Ca -0.07 1.54 0.17 0.00 0.00 0.00 0.00 60.65 62.28 2j3i s ILE 122 Cb -0.15 -4.21 0.30 0.00 0.01 0.00 0.00 42.46 38.41 2j3i s ILE 122 CO -0.01 -0.38 1.17 0.00 0.00 0.00 0.00 174.94 175.73 2j3i n GLN 123 N 6.95 1.61 -3.60 2.79 1.13 -1.26 -4.63 117.38 120.36 2j3i n GLN 123 Ca 0.14 -2.53 -0.15 0.00 -1.94 0.00 0.00 57.00 52.51 2j3i n GLN 123 Cb 0.46 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 29.17 2j3i n GLN 123 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2j3i s HIS 124 N -2.73 -0.36 -0.23 1.08 3.76 -1.26 -5.02 115.29 110.53 2j3i s HIS 124 Ca 0.31 0.69 0.04 0.00 -0.15 0.00 0.00 55.06 55.95 2j3i s HIS 124 Cb 0.27 -0.17 0.11 0.00 1.11 0.00 0.00 32.58 33.90 2j3i s HIS 124 CO 0.04 -0.43 1.08 0.25 -0.85 0.00 0.00 174.74 174.83 2j3i n THR 125 N 5.34 1.11 0.02 1.30 -2.24 -1.26 -4.73 114.28 113.82 2j3i n THR 125 Ca -0.06 -1.13 -0.07 0.00 -2.27 0.00 0.00 64.05 60.53 2j3i n THR 125 Cb 0.50 0.42 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2j3i n THR 125 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2j3i n ASP 126 N -0.34 4.24 -3.55 3.42 3.85 -1.26 -4.69 116.55 118.22 2j3i n ASP 126 Ca 0.05 -2.52 -0.16 0.00 -0.71 0.00 0.00 54.79 51.45 2j3i n ASP 126 Cb 0.34 -0.78 -0.06 0.00 -1.35 0.00 0.00 41.12 39.27 2j3i n ASP 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2j3i s VAL 127 N -0.91 0.00 0.61 2.12 0.11 -1.26 -4.94 120.40 116.13 2j3i s VAL 127 Ca 0.14 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 2j3i s VAL 127 Cb 0.12 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 2j3i s VAL 127 CO 0.01 0.00 0.75 -2.65 -3.33 0.00 0.00 175.10 169.88 2j3i n PRO 128 N 1.19 0.65 -0.84 1.54 -0.02 -1.26 -4.87 135.00 131.39 2j3i n PRO 128 Ca -0.17 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.42 2j3i n PRO 128 Cb 0.57 -1.96 0.14 0.00 -0.02 0.00 0.00 33.50 32.23 2j3i n PRO 128 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2j3i n LEU 129 N -0.33 5.49 -0.04 2.45 4.32 -1.26 -3.39 117.00 124.25 2j3i n LEU 129 Ca 0.13 -2.90 -0.03 0.00 -0.02 0.00 0.00 56.01 53.19 2j3i n LEU 129 Cb 0.48 -0.73 -0.07 0.00 -1.62 0.00 0.00 43.42 41.49 2j3i n LEU 129 CO 0.50 0.85 -0.76 -0.24 -1.22 0.00 0.00 177.39 176.52 2j3i n SER 130 N -0.54 2.95 -0.11 -1.43 2.88 -1.26 -4.53 113.62 111.58 2j3i n SER 130 Ca 0.40 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.92 2j3i n SER 130 Cb 1.28 0.77 0.23 0.00 -0.75 0.00 0.00 64.21 65.74 2j3i n SER 130 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2j3i h TYR 131 N 0.00 0.79 0.00 0.66 0.99 -1.93 -0.99 116.97 116.49 2j3i h TYR 131 Ca -0.20 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.46 2j3i h TYR 131 Cb 1.41 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.90 2j3i h TYR 131 CO 0.00 0.65 0.00 0.66 -0.00 0.00 0.00 178.16 179.47 2j3i n TYR 132 N -4.30 0.00 -0.20 4.88 4.02 -1.26 -0.03 117.16 120.27 2j3i n TYR 132 Ca 0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2j3i n TYR 132 Cb 0.21 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2j3i n TYR 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2j3i n THR 133 N 0.21 0.64 0.00 -0.72 -2.24 -0.37 -4.55 114.28 107.25 2j3i n THR 133 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2j3i n THR 133 Cb 0.27 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2j3i n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j3i n GLY 134 N -0.32 -1.04 0.19 3.38 0.00 -0.21 -4.65 105.19 102.54 2j3i n GLY 134 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 2j3i n GLY 134 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j3i h LEU 135 N 0.00 -0.36 -2.90 0.99 5.85 -1.23 -1.26 115.31 116.39 2j3i h LEU 135 Ca 0.00 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 2j3i h LEU 135 Cb 0.00 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 40.98 2j3i h LEU 135 CO 0.00 -0.04 0.30 0.18 -0.34 0.00 0.00 178.44 178.53 2j3i n LEU 136 N -4.36 4.69 0.00 2.25 4.77 0.96 -3.24 117.00 122.07 2j3i n LEU 136 Ca -0.05 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 2j3i n LEU 136 Cb 0.17 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2j3i n LEU 136 CO 0.13 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2j3i n GLY 137 N -0.24 5.69 0.34 -0.72 0.00 -1.17 -4.39 105.19 104.69 2j3i n GLY 137 Ca 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2j3i n GLY 137 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2j3i h MET 138 N 0.00 0.98 0.00 1.61 4.05 -1.83 1.00 114.93 120.74 2j3i h MET 138 Ca 0.00 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2j3i h MET 138 Cb 0.00 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.59 2j3i h MET 138 CO 0.00 0.67 -0.00 -1.35 0.23 0.00 0.00 176.91 176.46 2j3i h PRO 139 N 1.00 0.00 0.20 0.39 0.11 -1.84 -2.51 132.00 129.35 2j3i h PRO 139 Ca 0.26 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.08 2j3i h PRO 139 Cb -0.07 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.07 2j3i h PRO 139 CO -0.05 0.00 -1.37 0.78 -0.21 0.00 0.00 178.00 177.15 2j3i h GLY 140 N 0.22 0.49 0.94 -0.55 0.00 0.44 -1.25 103.07 103.37 2j3i h GLY 140 Ca -0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.03 2j3i h GLY 140 CO 0.00 1.11 -0.46 1.98 0.00 0.00 0.00 176.54 179.17 2j3i h MET 141 N -0.03 -1.18 -1.14 4.80 -1.53 -1.46 -0.31 114.93 114.08 2j3i h MET 141 Ca -0.25 0.08 0.35 0.00 -3.44 0.00 0.00 59.70 56.43 2j3i h MET 141 Cb 2.00 0.27 -0.12 0.00 -0.55 0.00 0.00 31.60 33.19 2j3i h MET 141 CO 0.21 -0.79 0.72 1.15 0.14 0.00 0.00 176.91 178.34 2j3i h THR 142 N -1.22 0.31 0.03 -0.77 2.02 -1.52 0.37 112.91 112.14 2j3i h THR 142 Ca -0.12 -0.09 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 2j3i h THR 142 Cb 0.96 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2j3i h THR 142 CO 0.17 0.05 -0.99 0.00 0.37 0.00 0.00 175.52 175.11 2j3i h ALA 143 N 1.66 0.37 0.69 6.16 0.00 -0.77 -2.87 119.26 124.50 2j3i h ALA 143 Ca 0.72 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2j3i h ALA 143 Cb 1.97 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.70 2j3i h ALA 143 CO -0.41 0.98 -0.33 -0.92 0.00 0.00 0.00 179.25 178.56 2j3i h TYR 144 N 0.09 -0.86 0.02 0.00 3.20 0.13 -2.42 116.97 117.12 2j3i h TYR 144 Ca -0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2j3i h TYR 144 Cb 1.67 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 40.22 2j3i h TYR 144 CO 0.04 -0.51 -0.06 0.00 -1.64 0.00 0.00 178.16 175.98 2j3i h ALA 145 N -1.08 -0.63 -0.51 1.82 0.00 -0.57 -0.35 119.26 117.93 2j3i h ALA 145 Ca -0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2j3i h ALA 145 Cb 0.74 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2j3i h ALA 145 CO 0.16 -0.65 -0.01 0.78 0.00 0.00 0.00 179.25 179.53 2j3i h GLY 146 N -0.09 0.51 1.63 0.00 0.00 -1.66 0.15 103.07 103.63 2j3i h GLY 146 Ca -0.00 0.08 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 2j3i h GLY 146 CO -0.03 -0.15 -0.85 -2.75 0.00 0.00 0.00 176.54 172.76 2j3i h PHE 147 N 0.10 0.49 0.20 5.60 3.04 -1.48 -2.48 116.94 122.41 2j3i h PHE 147 Ca 0.26 -0.25 -0.33 0.00 3.98 0.00 0.00 57.97 61.63 2j3i h PHE 147 Cb 0.40 -0.06 0.02 0.00 2.56 0.00 0.00 35.95 38.86 2j3i h PHE 147 CO -0.33 1.04 -1.59 1.88 -2.02 0.00 0.00 178.31 177.29 2j3i h TYR 148 N 0.21 0.75 0.00 0.41 0.99 -0.74 -3.33 116.97 115.26 2j3i h TYR 148 Ca -0.05 -0.55 0.00 0.00 2.00 0.00 0.00 58.73 60.13 2j3i h TYR 148 Cb 1.46 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 39.16 2j3i h TYR 148 CO 0.04 1.62 -0.56 0.39 -0.00 0.00 0.00 178.16 179.65 2j3i n GLU 149 N -3.70 0.40 0.06 4.88 4.71 0.51 -4.10 120.64 123.40 2j3i n GLU 149 Ca -0.22 0.39 0.07 0.00 -0.01 0.00 0.00 57.16 57.39 2j3i n GLU 149 Cb 1.05 -1.47 0.33 0.00 -1.01 0.00 0.00 31.44 30.34 2j3i n GLU 149 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2j3i n VAL 150 N -4.22 1.16 0.06 2.62 0.31 -1.22 -2.44 118.33 114.60 2j3i n VAL 150 Ca -0.08 0.35 0.06 0.00 -0.01 0.00 0.00 64.34 64.66 2j3i n VAL 150 Cb 0.29 -1.23 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 2j3i n VAL 150 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j3i n SER 152 N -1.83 -2.84 -4.77 0.00 3.41 -1.02 -4.81 113.62 101.77 2j3i n SER 152 Ca -0.02 -0.42 -0.38 0.00 -0.26 0.00 0.00 58.87 57.80 2j3i n SER 152 Cb 0.29 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.32 2j3i n SER 152 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2j3i s PRO 153 N -2.99 3.90 0.45 4.33 0.04 -1.26 -5.06 135.00 134.41 2j3i s PRO 153 Ca 0.07 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.01 2j3i s PRO 153 Cb -0.01 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2j3i s PRO 153 CO 0.51 -0.45 0.13 0.21 0.04 0.00 0.00 177.00 177.43 2j3i s LYS 154 N -2.47 2.16 0.86 4.56 2.20 -1.26 -5.12 119.74 120.66 2j3i s LYS 154 Ca 0.60 -2.05 -0.12 0.00 -0.36 0.00 0.00 55.97 54.04 2j3i s LYS 154 Cb -0.31 -1.81 0.11 0.00 -1.51 0.00 0.00 37.83 34.31 2j3i s LYS 154 CO 0.38 -0.21 1.11 -1.21 -0.36 0.00 0.00 175.35 175.06 2j3i s GLU 155 N -3.90 1.55 0.00 4.03 2.02 -1.26 -4.31 118.70 116.83 2j3i s GLU 155 Ca 0.31 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.83 2j3i s GLU 155 Cb 0.04 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2j3i s GLU 155 CO 0.17 -1.97 0.00 0.41 0.02 0.00 0.00 175.26 173.89 2j3i n GLY 156 N -1.96 0.06 3.37 -1.39 0.00 -1.26 -4.95 105.19 99.05 2j3i n GLY 156 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2j3i n GLY 156 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j3i s GLU 157 N -1.20 3.39 -0.42 1.61 -1.05 -1.26 -4.53 118.70 115.25 2j3i s GLU 157 Ca 0.00 -0.68 -0.38 0.00 -0.15 0.00 0.00 54.97 53.76 2j3i s GLU 157 Cb 0.00 -2.67 -0.16 0.00 -0.44 0.00 0.00 34.13 30.85 2j3i s GLU 157 CO 0.00 0.17 1.53 0.25 0.95 0.00 0.00 175.26 178.16 2j3i n THR 158 N 3.65 0.00 -4.01 1.83 -2.24 -1.26 -4.35 114.28 107.90 2j3i n THR 158 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2j3i n THR 158 Cb 0.52 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 2j3i n THR 158 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2j3i s VAL 159 N 3.57 2.67 -0.22 2.28 1.01 0.65 -1.92 120.40 128.45 2j3i s VAL 159 Ca 0.93 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2j3i s VAL 159 Cb -1.25 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2j3i s VAL 159 CO 0.62 0.36 0.43 -0.47 0.00 0.00 0.00 175.10 176.04 2j3i s TYR 160 N 1.34 3.34 0.26 5.22 5.04 0.54 -1.91 117.35 131.18 2j3i s TYR 160 Ca 0.03 0.61 0.07 0.00 -2.44 0.00 0.00 57.07 55.34 2j3i s TYR 160 Cb -0.15 -2.58 -0.04 0.00 0.35 0.00 0.00 41.96 39.55 2j3i s TYR 160 CO -0.07 -0.09 0.18 0.08 -1.34 0.00 0.00 175.55 174.31 2j3i s VAL 161 N 1.59 4.25 0.00 3.14 1.01 -0.45 -0.80 120.40 129.13 2j3i s VAL 161 Ca 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2j3i s VAL 161 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2j3i s VAL 161 CO 0.09 -0.34 0.00 -1.54 0.00 0.00 0.00 175.10 173.31 2j3i n SER 162 N -1.16 3.21 -3.63 3.32 3.41 -1.24 -3.18 113.62 114.36 2j3i n SER 162 Ca -0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.27 2j3i n SER 162 Cb 0.58 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.61 2j3i n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j3i n ALA 163 N -1.88 3.40 0.14 7.33 0.00 -1.26 -4.49 120.51 123.76 2j3i n ALA 163 Ca 0.00 -4.25 0.03 0.00 0.00 0.00 0.00 53.44 49.22 2j3i n ALA 163 Cb 0.36 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 18.91 2j3i n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j3i h ALA 164 N 5.00 0.69 -0.09 0.00 0.00 -1.85 -3.13 119.26 119.88 2j3i h ALA 164 Ca 0.18 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2j3i h ALA 164 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2j3i h ALA 164 CO 0.67 0.60 -0.06 0.66 0.00 0.00 0.00 179.25 181.12 2j3i h SER 165 N 0.00 0.21 -3.08 0.00 4.64 -1.88 -1.61 113.55 111.83 2j3i h SER 165 Ca -0.00 -0.44 -0.36 0.00 -0.47 0.00 0.00 61.79 60.51 2j3i h SER 165 Cb 1.36 -0.06 0.19 0.00 -0.31 0.00 0.00 62.40 63.58 2j3i h SER 165 CO 0.06 0.60 0.01 0.61 -0.87 0.00 0.00 176.83 177.24 2j3i n GLY 166 N 0.09 -3.21 0.00 -0.77 0.00 -1.24 -4.39 105.19 95.67 2j3i n GLY 166 Ca -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2j3i n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j3i n ALA 167 N -5.10 0.00 -0.01 4.61 0.00 -1.26 -1.87 120.51 116.88 2j3i n ALA 167 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 2j3i n ALA 167 Cb 0.56 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 20.28 2j3i n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j3i h VAL 168 N 0.00 1.42 -0.96 0.00 2.07 -1.84 -3.35 116.25 113.58 2j3i h VAL 168 Ca 0.00 -1.94 0.23 0.00 0.82 0.00 0.00 66.70 65.81 2j3i h VAL 168 Cb 0.00 2.44 -0.12 0.00 -1.52 0.00 0.00 31.29 32.09 2j3i h VAL 168 CO 0.00 0.57 0.53 1.23 0.02 0.00 0.00 177.57 179.92 2j3i h GLY 169 N -0.07 1.76 2.00 2.17 0.00 -1.42 -3.11 103.07 104.40 2j3i h GLY 169 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2j3i h GLY 169 CO 0.10 -0.21 0.00 0.06 0.00 0.00 0.00 176.54 176.49 2j3i h GLN 170 N 0.56 0.00 0.07 4.80 3.07 -0.54 -2.78 115.11 120.29 2j3i h GLN 170 Ca 0.60 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 59.06 2j3i h GLN 170 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.64 2j3i h GLN 170 CO -0.47 0.00 -1.48 1.25 0.09 0.00 0.00 178.83 178.22 2j3i h LEU 171 N 0.00 0.24 -0.27 0.06 5.85 -1.78 -3.28 115.31 116.13 2j3i h LEU 171 Ca 0.00 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.43 2j3i h LEU 171 Cb 0.73 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2j3i h LEU 171 CO 0.00 1.29 -0.06 0.58 -0.34 0.00 0.00 178.44 179.91 2j3i h VAL 172 N 0.04 0.74 0.00 1.05 2.07 -1.60 0.87 116.25 119.42 2j3i h VAL 172 Ca -0.21 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2j3i h VAL 172 Cb 1.97 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2j3i h VAL 172 CO 0.14 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.78 2j3i h GLY 173 N 0.01 0.00 1.20 2.17 0.00 -1.72 0.41 103.07 105.14 2j3i h GLY 173 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.15 2j3i h GLY 173 CO -0.27 0.00 -1.31 1.46 0.00 0.00 0.00 176.54 176.41 2j3i h GLN 174 N 0.00 0.57 0.28 4.80 4.20 -1.30 -0.23 115.11 123.44 2j3i h GLN 174 Ca -0.00 -0.86 -0.01 0.00 0.06 0.00 0.00 58.65 57.84 2j3i h GLN 174 Cb 0.63 0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2j3i h GLN 174 CO 0.02 1.40 -0.13 -0.07 -0.67 0.00 0.00 178.83 179.38 2j3i h LEU 175 N 0.17 -0.32 -1.35 1.46 3.38 0.11 -2.53 115.31 116.24 2j3i h LEU 175 Ca -0.22 -0.22 0.23 0.00 0.09 0.00 0.00 57.88 57.77 2j3i h LEU 175 Cb 2.01 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.75 2j3i h LEU 175 CO 0.25 0.12 0.64 0.00 0.09 0.00 0.00 178.44 179.54 2j3i h ALA 176 N -0.35 2.13 0.00 1.53 0.00 -0.30 0.17 119.26 122.44 2j3i h ALA 176 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2j3i h ALA 176 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2j3i h ALA 176 CO 0.06 -0.49 -0.23 0.87 0.00 0.00 0.00 179.25 179.47 2j3i h LYS 177 N 0.47 0.00 -0.31 0.00 1.57 -0.95 -2.18 116.57 115.17 2j3i h LYS 177 Ca 0.55 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.21 2j3i h LYS 177 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2j3i h LYS 177 CO -0.27 0.23 -0.30 0.52 -0.57 0.00 0.00 179.45 179.06 2j3i h MET 178 N 0.00 0.65 0.17 3.15 2.86 -0.24 -2.48 114.93 119.03 2j3i h MET 178 Ca -0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2j3i h MET 178 Cb 1.07 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 2j3i h MET 178 CO 0.03 0.87 -0.09 1.98 1.06 0.00 0.00 176.91 180.76 2j3i h MET 179 N 0.56 -0.24 0.00 1.72 1.85 -1.11 -3.47 114.93 114.24 2j3i h MET 179 Ca 0.07 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2j3i h MET 179 Cb 0.79 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.87 2j3i h MET 179 CO 0.06 -0.16 0.00 0.41 -0.40 0.00 0.00 176.91 176.83 2j3i n GLY 180 N -1.20 1.42 0.42 1.39 0.00 -0.87 -4.88 105.19 101.47 2j3i n GLY 180 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2j3i n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j3i s TYR 182 N -1.24 3.13 -0.07 0.00 5.04 -1.26 -4.86 117.35 118.09 2j3i s TYR 182 Ca 0.09 -2.03 0.00 0.00 -2.44 0.00 0.00 57.07 52.68 2j3i s TYR 182 Cb -0.01 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.31 2j3i s TYR 182 CO 0.07 -0.84 -0.04 0.08 -1.34 0.00 0.00 175.55 173.47 2j3i s VAL 183 N 1.19 3.92 0.16 3.14 1.01 -1.26 -0.26 120.40 128.29 2j3i s VAL 183 Ca -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2j3i s VAL 183 Cb -0.18 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2j3i s VAL 183 CO -0.06 0.59 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2j3i s VAL 184 N -0.85 1.31 -0.11 2.92 1.01 -0.80 0.41 120.40 124.29 2j3i s VAL 184 Ca 0.13 -2.04 -0.24 0.00 0.00 0.00 0.00 61.98 59.82 2j3i s VAL 184 Cb -0.11 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.49 2j3i s VAL 184 CO 0.02 -0.67 0.59 -0.83 0.00 0.00 0.00 175.10 174.21 2j3i s GLY 185 N -3.09 -0.46 0.14 4.51 0.00 -1.15 -1.34 107.32 105.92 2j3i s GLY 185 Ca 0.17 1.30 0.06 0.00 0.00 0.00 0.00 44.72 46.25 2j3i s GLY 185 CO 0.02 1.01 -0.01 -1.35 0.00 0.00 0.00 173.10 172.77 2j3i s SER 186 N -0.64 4.82 0.07 1.64 1.04 -1.19 -1.77 113.70 117.67 2j3i s SER 186 Ca -0.07 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 2j3i s SER 186 Cb -0.03 -1.06 0.06 0.00 0.10 0.00 0.00 66.02 65.10 2j3i s SER 186 CO 0.06 0.13 0.56 0.00 0.98 0.00 0.00 173.24 174.96 2j3i s ALA 187 N -1.52 -1.45 -1.06 5.32 0.00 -0.90 -3.36 121.76 118.80 2j3i s ALA 187 Ca 0.26 0.63 0.26 0.00 0.00 0.00 0.00 51.96 53.11 2j3i s ALA 187 Cb -0.10 0.50 1.13 0.00 0.00 0.00 0.00 23.12 24.65 2j3i s ALA 187 CO 0.18 -0.57 1.84 0.41 0.00 0.00 0.00 175.76 177.61 2j3i n GLY 188 N 0.20 -1.36 3.30 0.00 0.00 -1.26 -2.54 105.19 103.53 2j3i n GLY 188 Ca -0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2j3i n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j3i s SER 189 N -2.94 -0.19 0.12 1.61 1.04 -1.26 -4.53 113.70 107.54 2j3i s SER 189 Ca 0.14 -0.32 0.17 0.00 0.48 0.00 0.00 55.95 56.42 2j3i s SER 189 Cb 0.17 0.45 0.74 0.00 0.10 0.00 0.00 66.02 67.48 2j3i s SER 189 CO 0.46 -0.81 1.53 0.29 0.98 0.00 0.00 173.24 175.69 2j3i n LYS 190 N -0.10 0.08 0.09 4.02 4.76 -1.26 -1.63 118.16 124.12 2j3i n LYS 190 Ca -0.16 0.37 -0.13 0.00 -2.87 0.00 0.00 58.31 55.51 2j3i n LYS 190 Cb 0.63 -1.67 -0.08 0.00 -1.84 0.00 0.00 35.03 32.06 2j3i n LYS 190 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2j3i h GLU 191 N 0.00 -0.22 -0.50 1.97 4.81 -1.99 -2.76 114.58 115.87 2j3i h GLU 191 Ca 0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2j3i h GLU 191 Cb 0.25 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2j3i h GLU 191 CO 0.00 0.12 -0.03 0.87 -0.73 0.00 0.00 179.01 179.24 2j3i h LYS 192 N -0.60 0.91 0.00 1.92 1.57 -1.88 -2.29 116.57 116.20 2j3i h LYS 192 Ca -0.02 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2j3i h LYS 192 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2j3i h LYS 192 CO 0.04 0.95 0.00 0.28 -0.57 0.00 0.00 179.45 180.15 2j3i n VAL 193 N -4.28 0.73 0.01 0.50 0.31 -0.65 -2.39 118.33 112.56 2j3i n VAL 193 Ca 0.01 0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 2j3i n VAL 193 Cb 0.34 -0.94 -0.14 0.00 -0.91 0.00 0.00 33.84 32.19 2j3i n VAL 193 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2j3i h ASP 194 N 0.00 0.39 -0.95 4.52 3.32 -1.42 -3.37 116.42 118.92 2j3i h ASP 194 Ca 0.00 -0.81 0.18 0.00 0.02 0.00 0.00 57.03 56.42 2j3i h ASP 194 Cb 0.45 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 2j3i h ASP 194 CO 0.00 1.72 0.54 -0.07 -1.72 0.00 0.00 179.24 179.70 2j3i h LEU 195 N 0.07 0.66 0.00 1.55 3.38 -1.06 0.03 115.31 119.95 2j3i h LEU 195 Ca -0.39 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2j3i h LEU 195 Cb 2.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2j3i h LEU 195 CO 0.10 0.23 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2j3i n LEU 196 N -4.83 0.00 0.31 1.67 4.32 -1.01 -0.67 117.00 116.79 2j3i n LEU 196 Ca 0.21 0.76 0.19 0.00 -0.02 0.00 0.00 56.01 57.15 2j3i n LEU 196 Cb 0.54 -0.26 0.96 0.00 -1.62 0.00 0.00 43.42 43.05 2j3i n LEU 196 CO 0.20 -0.26 1.09 0.11 -1.22 0.00 0.00 177.39 177.32 2j3i h LYS 197 N 0.00 0.00 0.00 3.23 1.57 -1.69 -2.28 116.57 117.40 2j3i h LYS 197 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j3i h LYS 197 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2j3i h LYS 197 CO 0.00 0.03 -0.00 1.15 -0.57 0.00 0.00 179.45 180.05 2j3i h THR 198 N 0.00 0.00 0.67 -0.16 2.02 -0.74 -3.18 112.91 111.51 2j3i h THR 198 Ca -0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2j3i h THR 198 Cb 0.20 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2j3i h THR 198 CO 0.00 0.00 -0.32 0.50 0.37 0.00 0.00 175.52 176.07 2j3i h LYS 199 N -0.16 -0.86 -0.60 6.66 3.64 -1.00 -3.31 116.57 120.94 2j3i h LYS 199 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2j3i h LYS 199 Cb 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2j3i h LYS 199 CO 0.00 -0.57 0.00 1.19 -2.27 0.00 0.00 179.45 177.80 2j3i n PHE 200 N -5.22 1.97 -3.91 1.91 3.72 -0.90 -4.98 117.46 110.06 2j3i n PHE 200 Ca -0.11 -0.69 -0.29 0.00 -0.05 0.00 0.00 57.45 56.31 2j3i n PHE 200 Cb 0.35 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 38.39 2j3i n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j3i n GLY 201 N 0.62 -0.41 3.49 1.37 0.00 -0.93 -4.80 105.19 104.52 2j3i n GLY 201 Ca 0.26 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 2j3i n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j3i s PHE 202 N -3.98 0.21 -1.77 1.61 2.99 -1.17 -4.92 117.98 110.96 2j3i s PHE 202 Ca 0.23 0.58 0.24 0.00 0.00 0.00 0.00 56.93 57.98 2j3i s PHE 202 Cb -0.13 -3.24 0.29 0.00 0.00 0.00 0.00 43.02 39.94 2j3i s PHE 202 CO 0.68 -4.23 1.27 -0.25 -0.00 0.00 0.00 175.22 172.69 2j3i n ASP 203 N -5.05 1.46 -3.61 1.36 9.92 0.17 -4.72 116.55 116.08 2j3i n ASP 203 Ca 0.12 -1.16 -0.01 0.00 -0.53 0.00 0.00 54.79 53.21 2j3i n ASP 203 Cb 0.59 0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 41.45 2j3i n ASP 203 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2j3i s ASP 204 N -2.57 -0.05 -0.28 -2.24 2.15 -1.15 -4.99 116.67 107.54 2j3i s ASP 204 Ca 0.19 -0.02 -0.24 0.00 0.43 0.00 0.00 52.55 52.91 2j3i s ASP 204 Cb 0.18 0.07 0.13 0.00 -0.30 0.00 0.00 42.92 43.01 2j3i s ASP 204 CO 0.59 -0.13 1.05 0.00 -0.17 0.00 0.00 175.17 176.52 2j3i s ALA 205 N -2.21 -2.03 0.07 3.66 0.00 -1.26 -2.92 121.76 117.08 2j3i s ALA 205 Ca 0.12 1.91 0.03 0.00 0.00 0.00 0.00 51.96 54.02 2j3i s ALA 205 Cb 0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2j3i s ALA 205 CO -0.04 -0.24 -0.08 -0.59 0.00 0.00 0.00 175.76 174.81 2j3i s PHE 206 N 0.37 0.86 -0.57 0.00 -0.12 -0.73 -4.96 117.98 112.83 2j3i s PHE 206 Ca 0.02 -0.66 -0.21 0.00 -0.05 0.00 0.00 56.93 56.03 2j3i s PHE 206 Cb -0.05 -0.49 0.06 0.00 -0.63 0.00 0.00 43.02 41.91 2j3i s PHE 206 CO -0.08 -0.08 0.81 1.21 -0.05 0.00 0.00 175.22 177.03 2j3i s ASN 207 N -2.23 6.24 0.15 1.98 3.04 -1.26 -2.12 114.94 120.74 2j3i s ASN 207 Ca 0.01 -0.85 0.14 0.00 0.04 0.00 0.00 52.86 52.19 2j3i s ASN 207 Cb -0.04 -2.36 0.67 0.00 -1.54 0.00 0.00 41.25 37.98 2j3i s ASN 207 CO -0.01 -1.15 1.43 0.00 -3.04 0.00 0.00 177.10 174.33 2j3i n TYR 208 N 6.93 0.39 1.38 0.43 0.18 -1.05 -0.70 117.16 124.72 2j3i n TYR 208 Ca -0.04 0.18 0.13 0.00 1.88 0.00 0.00 57.90 60.06 2j3i n TYR 208 Cb 0.46 -0.79 0.43 0.00 -0.38 0.00 0.00 39.34 39.06 2j3i n TYR 208 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2j3i n LYS 209 N -1.88 1.81 -0.82 -3.48 5.02 -1.26 -3.32 118.16 114.23 2j3i n LYS 209 Ca 0.01 -1.17 -0.00 0.00 -2.02 0.00 0.00 58.31 55.12 2j3i n LYS 209 Cb 0.09 -1.47 0.29 0.00 -0.02 0.00 0.00 35.03 33.91 2j3i n LYS 209 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2j3i n GLU 210 N 0.43 3.33 -3.82 1.97 4.71 0.13 -4.94 120.64 122.45 2j3i n GLU 210 Ca 0.18 -3.04 -0.13 0.00 -0.01 0.00 0.00 57.16 54.15 2j3i n GLU 210 Cb 0.41 -2.06 -0.14 0.00 -1.01 0.00 0.00 31.44 28.63 2j3i n GLU 210 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2j3i s GLU 211 N -2.97 0.04 -0.26 3.49 2.02 -1.21 -4.97 118.70 114.84 2j3i s GLU 211 Ca 0.50 0.13 -0.07 0.00 0.02 0.00 0.00 54.97 55.56 2j3i s GLU 211 Cb 0.41 -0.06 -0.15 0.00 0.10 0.00 0.00 34.13 34.43 2j3i s GLU 211 CO 0.10 -0.06 -0.25 -1.13 0.02 0.00 0.00 175.26 173.94 2j3i n SER 212 N 3.45 1.97 -1.72 -0.19 3.41 -1.26 -4.69 113.62 114.59 2j3i n SER 212 Ca -0.17 0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2j3i n SER 212 Cb 0.57 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 2j3i n SER 212 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2j3i n ASP 213 N -3.77 5.33 -0.34 4.04 5.68 -1.26 -4.80 116.55 121.43 2j3i n ASP 213 Ca -0.49 -2.46 0.27 0.00 -0.50 0.00 0.00 54.79 51.62 2j3i n ASP 213 Cb 0.93 -1.25 0.52 0.00 -1.14 0.00 0.00 41.12 40.19 2j3i n ASP 213 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2j3i h LEU 214 N 3.80 0.44 0.15 -2.12 3.38 -1.95 0.94 115.31 119.95 2j3i h LEU 214 Ca 0.08 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2j3i h LEU 214 Cb 1.20 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2j3i h LEU 214 CO 0.11 -0.20 -0.07 0.74 0.09 0.00 0.00 178.44 179.11 2j3i h THR 215 N 0.23 0.99 0.00 0.22 2.02 -1.87 0.14 112.91 114.64 2j3i h THR 215 Ca 0.77 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2j3i h THR 215 Cb 1.91 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2j3i h THR 215 CO -0.61 0.17 0.00 0.00 0.37 0.00 0.00 175.52 175.45 2j3i h ALA 216 N 0.21 1.00 0.20 6.16 0.00 -1.01 0.60 119.26 126.42 2j3i h ALA 216 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2j3i h ALA 216 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2j3i h ALA 216 CO 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.19 2j3i h ALA 217 N 2.01 -0.27 -0.16 0.00 0.00 0.11 -0.46 119.26 120.49 2j3i h ALA 217 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2j3i h ALA 217 Cb 0.21 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2j3i h ALA 217 CO 0.00 -0.28 -0.21 -0.07 0.00 0.00 0.00 179.25 178.69 2j3i h LEU 218 N -1.01 -0.65 -2.28 0.00 -0.00 -0.63 0.54 115.31 111.27 2j3i h LEU 218 Ca -0.03 0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2j3i h LEU 218 Cb 0.38 0.30 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2j3i h LEU 218 CO 0.04 -0.26 0.06 0.11 -0.00 0.00 0.00 178.44 178.40 2j3i h LYS 219 N -0.25 0.00 0.02 1.13 1.79 0.17 0.92 116.57 120.35 2j3i h LYS 219 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2j3i h LYS 219 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2j3i h LYS 219 CO -0.31 0.00 -0.01 -0.09 -1.08 0.00 0.00 179.45 177.96 2j3i h ARG 220 N 0.00 -0.03 -0.07 3.15 2.43 0.16 -3.34 114.38 116.69 2j3i h ARG 220 Ca 0.03 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2j3i h ARG 220 Cb 0.15 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2j3i h ARG 220 CO -0.00 0.67 0.05 0.00 -1.51 0.00 0.00 179.97 179.18 2j3i s PHE 222 N -4.93 2.94 0.23 0.00 0.40 0.25 -4.96 117.98 111.90 2j3i s PHE 222 Ca -0.05 -2.80 -0.11 0.00 -0.60 0.00 0.00 56.93 53.38 2j3i s PHE 222 Cb 0.17 -2.53 0.33 0.00 0.51 0.00 0.00 43.02 41.50 2j3i s PHE 222 CO 0.64 -0.83 1.62 -1.35 0.70 0.00 0.00 175.22 176.00 2j3i h PRO 223 N 7.09 0.04 -0.32 0.24 0.11 -1.68 -3.17 132.00 134.31 2j3i h PRO 223 Ca -0.06 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2j3i h PRO 223 Cb 0.95 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2j3i h PRO 223 CO 0.57 0.02 0.01 0.09 -0.21 0.00 0.00 178.00 178.49 2j3i n ASN 224 N -5.41 3.86 0.00 -2.05 5.03 -1.26 -5.08 115.26 110.34 2j3i n ASN 224 Ca 0.10 -3.13 0.00 0.00 0.87 0.00 0.00 54.58 52.42 2j3i n ASN 224 Cb 0.40 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 2j3i n ASN 224 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j3i n GLY 225 N -0.52 -1.78 3.38 7.41 0.00 -1.20 -4.89 105.19 107.59 2j3i n GLY 225 Ca 0.25 -1.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.31 2j3i n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j3i s ILE 226 N -3.09 5.11 0.02 -0.61 1.01 -1.15 -4.66 121.20 117.83 2j3i s ILE 226 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 2j3i s ILE 226 Cb 0.00 -4.24 -0.16 0.00 0.01 0.00 0.00 42.46 38.07 2j3i s ILE 226 CO 0.00 -0.74 1.24 0.44 0.00 0.00 0.00 174.94 175.87 2j3i h ASP 227 N 8.88 -0.53 -4.36 3.58 3.32 -1.88 0.24 116.42 125.68 2j3i h ASP 227 Ca -0.29 -0.09 -0.70 0.00 0.02 0.00 0.00 57.03 55.98 2j3i h ASP 227 Cb 1.10 0.14 -0.27 0.00 0.22 0.00 0.00 39.33 40.52 2j3i h ASP 227 CO 0.95 -0.18 -0.85 -0.63 -1.72 0.00 0.00 179.24 176.81 2j3i s ILE 228 N -4.82 2.38 -0.07 0.35 1.01 -0.81 -1.53 121.20 117.72 2j3i s ILE 228 Ca -0.14 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 2j3i s ILE 228 Cb 0.02 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.63 2j3i s ILE 228 CO 0.51 0.52 -0.03 -0.47 0.00 0.00 0.00 174.94 175.47 2j3i s TYR 229 N -0.71 0.82 -0.46 3.97 5.04 -1.03 -0.34 117.35 124.64 2j3i s TYR 229 Ca 0.11 -0.26 -0.21 0.00 -2.44 0.00 0.00 57.07 54.26 2j3i s TYR 229 Cb -0.10 -0.80 0.03 0.00 0.35 0.00 0.00 41.96 41.43 2j3i s TYR 229 CO 0.01 -0.30 0.71 0.12 -1.34 0.00 0.00 175.55 174.75 2j3i s PHE 230 N 1.49 3.02 -0.79 4.97 5.36 0.02 -2.47 117.98 129.57 2j3i s PHE 230 Ca -0.02 -0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 55.65 2j3i s PHE 230 Cb -0.13 -3.53 0.05 0.00 -0.34 0.00 0.00 43.02 39.07 2j3i s PHE 230 CO -0.03 -0.97 1.23 -1.21 -1.46 0.00 0.00 175.22 172.78 2j3i s GLU 231 N 3.03 3.28 0.00 10.12 0.41 -0.64 -3.60 118.70 131.30 2j3i s GLU 231 Ca 0.24 -0.66 0.15 0.00 -0.41 0.00 0.00 54.97 54.29 2j3i s GLU 231 Cb -0.14 -4.47 0.01 0.00 -1.78 0.00 0.00 34.13 27.75 2j3i s GLU 231 CO 0.19 -2.06 0.83 0.09 -0.49 0.00 0.00 175.26 173.82 2j3i n ASN 232 N 8.69 1.63 0.05 -0.19 3.02 -1.24 -0.05 115.26 127.17 2j3i n ASN 232 Ca 0.09 -1.31 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2j3i n ASN 232 Cb 0.49 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 2j3i n ASN 232 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2j3i n VAL 233 N -0.03 0.30 -0.10 2.41 3.14 -1.05 -2.50 118.33 120.51 2j3i n VAL 233 Ca 0.06 0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2j3i n VAL 233 Cb 0.32 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 2j3i n VAL 233 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2j3i n GLY 234 N 2.31 -1.68 7.00 7.55 0.00 -1.26 -2.74 105.19 116.38 2j3i n GLY 234 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2j3i n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j3i n GLY 235 N 0.00 3.18 0.31 -0.02 0.00 -1.26 -2.07 105.19 105.33 2j3i n GLY 235 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2j3i n GLY 235 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j3i n LYS 236 N 14.00 -0.08 -0.08 1.61 4.76 -1.26 -0.59 118.16 136.53 2j3i n LYS 236 Ca 0.00 1.35 -0.10 0.00 -2.87 0.00 0.00 58.31 56.68 2j3i n LYS 236 Cb 0.00 -2.04 -0.04 0.00 -1.84 0.00 0.00 35.03 31.11 2j3i n LYS 236 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2j3i h MET 237 N 0.00 0.38 0.63 1.97 4.05 -1.83 -2.67 114.93 117.46 2j3i h MET 237 Ca 0.44 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 2j3i h MET 237 Cb 0.74 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2j3i h MET 237 CO -0.88 0.43 -0.39 1.25 0.23 0.00 0.00 176.91 177.55 2j3i h LEU 238 N 0.25 -0.98 -1.70 3.39 5.85 -0.85 -2.32 115.31 118.93 2j3i h LEU 238 Ca 0.08 0.06 0.27 0.00 0.84 0.00 0.00 57.88 59.13 2j3i h LEU 238 Cb 0.20 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2j3i h LEU 238 CO -0.01 -0.61 0.86 0.44 -0.34 0.00 0.00 178.44 178.79 2j3i h ASP 239 N -0.97 0.00 0.80 1.25 3.32 -0.91 0.38 116.42 120.30 2j3i h ASP 239 Ca -0.08 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.77 2j3i h ASP 239 Cb 0.78 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2j3i h ASP 239 CO 0.08 0.00 -1.30 0.00 -1.72 0.00 0.00 179.24 176.30 2j3i h ALA 240 N 1.14 0.65 -0.14 3.45 0.00 -1.09 -3.27 119.26 120.00 2j3i h ALA 240 Ca 0.44 -0.98 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 2j3i h ALA 240 Cb 2.16 0.22 0.01 0.00 0.00 0.00 0.00 17.79 20.18 2j3i h ALA 240 CO -0.00 1.12 -0.72 0.28 0.00 0.00 0.00 179.25 179.93 2j3i h VAL 241 N 0.00 1.30 0.59 0.00 2.07 -0.57 -1.31 116.25 118.32 2j3i h VAL 241 Ca -0.15 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 2j3i h VAL 241 Cb 1.71 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2j3i h VAL 241 CO 0.07 0.61 -0.44 -0.07 0.02 0.00 0.00 177.57 177.76 2j3i h LEU 242 N 0.44 -1.15 -1.28 2.57 4.07 -1.11 0.65 115.31 119.51 2j3i h LEU 242 Ca -0.05 0.08 0.29 0.00 0.08 0.00 0.00 57.88 58.28 2j3i h LEU 242 Cb 1.35 0.36 -0.11 0.00 1.08 0.00 0.00 40.66 43.34 2j3i h LEU 242 CO 0.15 -0.64 0.67 0.58 -1.08 0.00 0.00 178.44 178.12 2j3i h VAL 243 N -1.00 0.46 0.00 1.22 2.07 -1.61 -1.31 116.25 116.09 2j3i h VAL 243 Ca -0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2j3i h VAL 243 Cb 0.83 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2j3i h VAL 243 CO 0.02 0.07 -0.29 0.59 0.02 0.00 0.00 177.57 177.99 2j3i n ASN 244 N -4.71 0.78 -4.40 0.57 4.13 -0.50 -4.98 115.26 106.15 2j3i n ASN 244 Ca 0.28 0.37 -0.31 0.00 1.68 0.00 0.00 54.58 56.60 2j3i n ASN 244 Cb 0.93 -0.36 0.21 0.00 -1.54 0.00 0.00 39.78 39.01 2j3i n ASN 244 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2j3i n MET 245 N -2.21 -1.80 -4.11 3.52 1.56 0.22 -2.94 117.12 111.37 2j3i n MET 245 Ca 0.04 -0.50 -0.23 0.00 -0.27 0.00 0.00 57.70 56.75 2j3i n MET 245 Cb 0.44 -1.97 -0.06 0.00 2.15 0.00 0.00 33.22 33.78 2j3i n MET 245 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2j3i s ASN 246 N -2.16 4.84 0.33 6.12 2.47 0.85 -4.50 114.94 122.89 2j3i s ASN 246 Ca 0.62 -0.64 -0.29 0.00 0.42 0.00 0.00 52.86 52.97 2j3i s ASN 246 Cb -0.20 -0.87 -0.12 0.00 -1.45 0.00 0.00 41.25 38.62 2j3i s ASN 246 CO 0.65 -0.21 1.50 0.80 -3.72 0.00 0.00 177.10 176.13 2j3i n MET 247 N -1.13 2.57 -1.41 0.43 0.00 -1.26 -2.20 117.12 114.12 2j3i n MET 247 Ca -0.04 0.91 -0.15 0.00 0.00 0.00 0.00 57.70 58.42 2j3i n MET 247 Cb 0.60 -2.63 -0.06 0.00 0.00 0.00 0.00 33.22 31.12 2j3i n MET 247 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2j3i n HIS 248 N 1.20 -0.28 -3.13 1.12 8.25 0.54 -4.94 115.22 117.98 2j3i n HIS 248 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 2j3i n HIS 248 Cb 0.37 -2.74 -0.06 0.00 1.12 0.00 0.00 29.99 28.68 2j3i n HIS 248 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2j3i s GLY 249 N -2.24 2.68 0.28 -1.41 0.00 -0.94 -4.89 107.32 100.81 2j3i s GLY 249 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 2j3i s GLY 249 CO 0.00 0.56 0.57 0.50 0.00 0.00 0.00 173.10 174.73 2j3i s ARG 250 N -1.61 3.69 -0.13 2.90 3.00 -0.58 -3.79 118.95 122.42 2j3i s ARG 250 Ca 0.38 0.11 -0.03 0.00 0.00 0.00 0.00 55.73 56.20 2j3i s ARG 250 Cb -0.19 -2.63 0.05 0.00 0.00 0.00 0.00 34.95 32.19 2j3i s ARG 250 CO 0.22 0.22 0.04 0.42 0.00 0.00 0.00 175.30 176.20 2j3i s ILE 251 N -2.04 0.25 -0.38 1.52 1.01 -0.75 -2.47 121.20 118.34 2j3i s ILE 251 Ca 0.45 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 2j3i s ILE 251 Cb -0.11 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.71 2j3i s ILE 251 CO 0.28 -0.04 0.41 0.00 0.00 0.00 0.00 174.94 175.59 2j3i s ALA 252 N 2.00 3.46 -0.76 9.38 0.00 -1.03 -1.28 121.76 133.52 2j3i s ALA 252 Ca 0.02 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 2j3i s ALA 252 Cb -0.15 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.08 2j3i s ALA 252 CO -0.07 -1.35 1.16 0.08 0.00 0.00 0.00 175.76 175.59 2j3i s VAL 253 N 2.09 4.08 0.17 0.00 1.01 -1.11 -1.62 120.40 125.02 2j3i s VAL 253 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2j3i s VAL 253 Cb -0.17 -4.83 -0.10 0.00 0.00 0.00 0.00 36.38 31.28 2j3i s VAL 253 CO 0.13 -1.68 1.43 0.00 0.00 0.00 0.00 175.10 174.98 2j3i n GLY 255 N 0.49 -0.91 2.50 0.00 0.00 0.93 -4.95 105.19 103.25 2j3i n GLY 255 Ca -0.04 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 2j3i n GLY 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j3i n MET 256 N -0.26 0.32 -0.36 1.61 0.00 -1.24 -2.53 117.12 114.66 2j3i n MET 256 Ca 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 57.70 54.86 2j3i n MET 256 Cb 0.00 -1.59 0.10 0.00 0.00 0.00 0.00 33.22 31.74 2j3i n MET 256 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2j3i h ILE 257 N 4.59 1.25 0.00 2.02 2.04 -1.38 -1.46 117.51 124.56 2j3i h ILE 257 Ca 0.19 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2j3i h ILE 257 Cb 0.97 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2j3i h ILE 257 CO 0.27 0.25 0.00 -1.54 0.00 0.00 0.00 178.15 177.13 2j3i n SER 258 N -4.39 0.11 0.00 1.72 3.41 -1.11 -2.13 113.62 111.23 2j3i n SER 258 Ca 0.11 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2j3i n SER 258 Cb 0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2j3i n SER 258 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j3i n GLN 259 N -0.25 2.34 0.24 4.33 1.13 -0.57 -4.85 117.38 119.75 2j3i n GLN 259 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 2j3i n GLN 259 Cb 0.03 -0.79 0.74 0.00 0.11 0.00 0.00 30.24 30.33 2j3i n GLN 259 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 2j3i h TYR 260 N 0.00 0.00 -0.01 1.08 0.99 -1.20 -2.95 116.97 114.88 2j3i h TYR 260 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2j3i h TYR 260 Cb 0.57 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.30 2j3i h TYR 260 CO 0.00 0.00 -0.55 0.09 -0.00 0.00 0.00 178.16 177.70 2j3i n ASN 261 N -4.26 1.70 -4.87 3.88 3.02 -1.26 -4.73 115.26 108.74 2j3i n ASN 261 Ca -0.01 -1.32 -0.33 0.00 -0.03 0.00 0.00 54.58 52.88 2j3i n ASN 261 Cb 0.16 0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 39.81 2j3i n ASN 261 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2j3i s LEU 262 N -2.59 4.28 -0.21 3.41 1.02 -1.12 -4.19 118.68 119.29 2j3i s LEU 262 Ca 0.17 0.85 0.13 0.00 0.02 0.00 0.00 54.13 55.30 2j3i s LEU 262 Cb 0.18 -3.29 0.74 0.00 0.02 0.00 0.00 46.19 43.84 2j3i s LEU 262 CO 0.63 0.07 1.62 -0.62 0.02 0.00 0.00 176.35 178.07 2j3i n GLU 263 N 0.46 4.51 -3.21 1.70 -0.58 -1.26 -4.61 120.64 117.64 2j3i n GLU 263 Ca -0.04 -2.84 -0.01 0.00 -0.42 0.00 0.00 57.16 53.86 2j3i n GLU 263 Cb 0.52 -2.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.18 2j3i n GLU 263 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2j3i s ASN 264 N -0.70 -1.05 -0.04 1.62 4.22 -1.26 -5.13 114.94 112.60 2j3i s ASN 264 Ca 0.49 -0.31 -0.30 0.00 -2.14 0.00 0.00 52.86 50.60 2j3i s ASN 264 Cb 0.37 1.75 -0.05 0.00 1.28 0.00 0.00 41.25 44.60 2j3i s ASN 264 CO 0.14 -0.27 1.53 -1.58 -2.04 0.00 0.00 177.10 174.89 2j3i s GLN 265 N 2.40 4.22 0.17 3.55 0.74 -1.26 -4.96 119.66 124.52 2j3i s GLN 265 Ca 0.12 2.08 -0.33 0.00 0.05 0.00 0.00 55.36 57.27 2j3i s GLN 265 Cb -0.09 -3.79 -0.15 0.00 1.10 0.00 0.00 33.01 30.08 2j3i s GLN 265 CO -0.20 -0.74 1.41 0.39 -0.55 0.00 0.00 175.29 175.60 2j3i n GLU 266 N 6.37 1.75 -3.24 1.67 1.02 -1.26 -4.94 120.64 122.01 2j3i n GLU 266 Ca 0.15 0.63 -0.39 0.00 -0.02 0.00 0.00 57.16 57.53 2j3i n GLU 266 Cb 0.43 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 2j3i n GLU 266 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2j3i s GLY 267 N 0.47 1.97 0.07 0.62 0.00 -1.26 -4.84 107.32 104.35 2j3i s GLY 267 Ca 0.75 -0.48 -0.23 0.00 0.00 0.00 0.00 44.72 44.76 2j3i s GLY 267 CO 0.46 1.15 0.71 0.14 0.00 0.00 0.00 173.10 175.55 2j3i s VAL 268 N 1.93 4.67 0.00 1.40 1.01 -1.26 -4.96 120.40 123.19 2j3i s VAL 268 Ca 0.23 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2j3i s VAL 268 Cb -0.15 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2j3i s VAL 268 CO 0.09 0.45 0.00 1.41 0.00 0.00 0.00 175.10 177.05 2j3i n HIS 269 N 2.31 0.00 0.00 5.22 8.25 -1.26 -4.78 115.22 124.95 2j3i n HIS 269 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2j3i n HIS 269 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2j3i n HIS 269 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2j3i n ASN 270 N -1.00 0.00 0.20 0.41 5.03 -1.26 -4.36 115.26 114.28 2j3i n ASN 270 Ca 0.00 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.50 2j3i n ASN 270 Cb 0.00 0.00 0.48 0.00 -1.02 0.00 0.00 39.78 39.24 2j3i n ASN 270 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2j3i h LEU 271 N 0.00 0.06 -1.94 3.41 3.38 -1.98 -2.53 115.31 115.71 2j3i h LEU 271 Ca 0.00 -0.01 0.50 0.00 0.09 0.00 0.00 57.88 58.46 2j3i h LEU 271 Cb 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 2j3i h LEU 271 CO 0.00 0.22 1.23 -1.28 0.09 0.00 0.00 178.44 178.70 2j3i h SER 272 N 0.06 0.03 0.44 -0.43 0.87 -2.00 0.80 113.55 113.32 2j3i h SER 272 Ca 0.01 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2j3i h SER 272 Cb 0.31 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2j3i h SER 272 CO 0.02 -0.02 -0.11 0.78 -0.53 0.00 0.00 176.83 176.98 2j3i h ASN 273 N 0.01 0.00 1.09 6.23 4.21 -1.83 -2.91 115.58 122.37 2j3i h ASN 273 Ca 0.83 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.34 2j3i h ASN 273 Cb 3.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.48 2j3i h ASN 273 CO -0.05 0.11 0.00 0.16 -1.29 0.00 0.00 177.43 176.36 2j3i h ILE 274 N 0.00 0.00 0.24 2.81 3.07 0.42 -0.04 117.51 124.00 2j3i h ILE 274 Ca -0.00 -0.47 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 2j3i h ILE 274 Cb 0.36 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 2j3i h ILE 274 CO 0.01 0.00 -0.11 0.40 -1.05 0.00 0.00 178.15 177.40 2j3i h ILE 275 N 0.00 0.00 -0.81 0.16 2.04 -1.68 -0.83 117.51 116.39 2j3i h ILE 275 Ca 0.00 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2j3i h ILE 275 Cb 0.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2j3i h ILE 275 CO 0.00 0.00 0.53 1.88 0.00 0.00 0.00 178.15 180.56 2j3i h TYR 276 N -0.41 1.01 -0.00 1.37 0.05 -1.66 -2.54 116.97 114.78 2j3i h TYR 276 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2j3i h TYR 276 Cb 0.24 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2j3i h TYR 276 CO 0.11 0.63 -0.40 1.63 -1.05 0.00 0.00 178.16 179.08 2j3i n LYS 277 N -4.53 0.13 -3.23 4.88 5.02 -0.04 -4.95 118.16 115.43 2j3i n LYS 277 Ca 0.08 -0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2j3i n LYS 277 Cb 0.03 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2j3i n LYS 277 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j3i n ARG 278 N -1.38 -1.53 -3.56 1.97 1.74 -0.34 -0.34 116.66 113.22 2j3i n ARG 278 Ca 0.07 1.19 -0.37 0.00 -0.77 0.00 0.00 57.85 57.97 2j3i n ARG 278 Cb 0.33 -5.27 -0.09 0.00 -1.02 0.00 0.00 32.46 26.41 2j3i n ARG 278 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2j3i s ASN 279 N -3.12 6.18 0.20 0.55 0.02 -1.09 -3.62 114.94 114.05 2j3i s ASN 279 Ca 0.14 0.19 -0.30 0.00 -1.02 0.00 0.00 52.86 51.87 2j3i s ASN 279 Cb -0.03 -2.15 -0.08 0.00 0.02 0.00 0.00 41.25 39.02 2j3i s ASN 279 CO 0.77 -0.01 0.95 -0.60 0.02 0.00 0.00 177.10 178.23 2j3i s ARG 280 N 1.35 4.80 -0.15 -0.60 3.52 -1.25 -4.98 118.95 121.64 2j3i s ARG 280 Ca 0.11 1.48 -0.01 0.00 -0.13 0.00 0.00 55.73 57.19 2j3i s ARG 280 Cb -0.14 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2j3i s ARG 280 CO 0.07 0.40 -0.05 0.42 -0.81 0.00 0.00 175.30 175.33 2j3i s ILE 281 N -0.76 1.05 -0.29 4.11 1.01 -1.25 -1.80 121.20 123.26 2j3i s ILE 281 Ca 0.43 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2j3i s ILE 281 Cb -0.25 -1.20 0.09 0.00 0.01 0.00 0.00 42.46 41.11 2j3i s ILE 281 CO 0.31 0.17 0.06 -1.58 0.00 0.00 0.00 174.94 173.91 2j3i s GLN 282 N 1.67 1.00 -0.85 2.79 -0.44 -0.40 -4.93 119.66 118.49 2j3i s GLN 282 Ca 0.02 -1.17 -0.25 0.00 -2.50 0.00 0.00 55.36 51.46 2j3i s GLN 282 Cb -0.15 -2.33 0.03 0.00 -1.64 0.00 0.00 33.01 28.92 2j3i s GLN 282 CO -0.08 -0.89 1.38 0.20 0.50 0.00 0.00 175.29 176.40 2j3i s GLY 283 N 1.46 0.99 0.10 2.59 0.00 -1.26 -2.74 107.32 108.45 2j3i s GLY 283 Ca 0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 2j3i s GLY 283 CO -0.17 2.71 0.13 1.97 0.00 0.00 0.00 173.10 177.74 2j3i n PHE 284 N 9.41 -3.98 -3.69 1.90 1.16 -1.23 -4.96 117.46 116.07 2j3i n PHE 284 Ca 0.16 -0.12 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 2j3i n PHE 284 Cb 0.50 -0.10 -0.11 0.00 -1.61 0.00 0.00 39.48 38.16 2j3i n PHE 284 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2j3i s VAL 285 N -1.26 -0.19 0.25 1.97 1.01 -1.26 -4.94 120.40 115.98 2j3i s VAL 285 Ca 0.07 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2j3i s VAL 285 Cb -0.00 -0.61 0.22 0.00 0.00 0.00 0.00 36.38 35.99 2j3i s VAL 285 CO 0.05 0.05 1.83 1.62 0.00 0.00 0.00 175.10 178.65 2j3i h VAL 286 N 5.74 0.95 -0.86 2.92 3.04 -1.95 -3.15 116.25 122.94 2j3i h VAL 286 Ca -0.31 -0.30 0.19 0.00 -1.01 0.00 0.00 66.70 65.27 2j3i h VAL 286 Cb 1.16 0.01 -0.16 0.00 -2.01 0.00 0.00 31.29 30.28 2j3i h VAL 286 CO 0.25 0.16 -0.16 -1.20 -1.01 0.00 0.00 177.57 175.61 2j3i n SER 287 N -4.69 -0.26 0.34 3.17 7.64 -1.26 0.73 113.62 119.28 2j3i n SER 287 Ca 0.14 1.48 0.18 0.00 1.01 0.00 0.00 58.87 61.68 2j3i n SER 287 Cb 0.25 -0.47 0.99 0.00 -1.01 0.00 0.00 64.21 63.97 2j3i n SER 287 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2j3i h ASP 288 N 0.00 0.00 -0.11 6.43 3.45 -2.00 -1.73 116.42 122.46 2j3i h ASP 288 Ca 0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.90 2j3i h ASP 288 Cb 0.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2j3i h ASP 288 CO -0.87 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 177.29 2j3i n PHE 289 N -2.98 0.12 0.17 4.55 3.01 0.22 -4.63 117.46 117.92 2j3i n PHE 289 Ca -0.02 -0.08 0.10 0.00 1.01 0.00 0.00 57.45 58.46 2j3i n PHE 289 Cb 0.25 -0.00 0.56 0.00 -0.01 0.00 0.00 39.48 40.28 2j3i n PHE 289 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2j3i n TYR 290 N 1.01 0.70 0.45 1.38 4.01 -0.65 0.06 117.16 124.12 2j3i n TYR 290 Ca 0.12 0.36 0.13 0.00 -0.16 0.00 0.00 57.90 58.35 2j3i n TYR 290 Cb 0.46 -1.05 0.45 0.00 -0.31 0.00 0.00 39.34 38.89 2j3i n TYR 290 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2j3i h ASP 291 N 0.00 0.00 -0.20 7.72 2.03 -1.83 -1.88 116.42 122.27 2j3i h ASP 291 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2j3i h ASP 291 Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 2j3i h ASP 291 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2j3i n LYS 292 N -2.46 2.28 0.25 4.15 5.02 0.11 -4.62 118.16 122.88 2j3i n LYS 292 Ca 0.03 -1.90 -0.17 0.00 -2.02 0.00 0.00 58.31 54.26 2j3i n LYS 292 Cb 0.35 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 2j3i n LYS 292 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2j3i h TYR 293 N 4.10 -1.34 0.00 2.13 5.03 -1.35 -1.36 116.97 124.18 2j3i h TYR 293 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2j3i h TYR 293 Cb 0.89 0.53 0.00 0.00 1.55 0.00 0.00 36.73 39.70 2j3i h TYR 293 CO 0.12 -0.62 0.04 0.45 -1.32 0.00 0.00 178.16 176.83 2j3i n SER 294 N -5.32 0.03 -0.06 -2.11 2.88 -1.26 -1.08 113.62 106.69 2j3i n SER 294 Ca -0.11 0.47 -0.15 0.00 -1.33 0.00 0.00 58.87 57.75 2j3i n SER 294 Cb 0.43 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 2j3i n SER 294 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2j3i n LYS 295 N -1.50 0.69 0.39 -1.46 3.00 -0.85 -3.18 118.16 115.24 2j3i n LYS 295 Ca -0.00 0.18 -0.18 0.00 -0.00 0.00 0.00 58.31 58.31 2j3i n LYS 295 Cb 0.05 -1.63 -0.09 0.00 0.00 0.00 0.00 35.03 33.35 2j3i n LYS 295 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2j3i h PHE 296 N 0.02 -0.90 -0.46 5.64 3.57 -0.01 -2.67 116.94 122.14 2j3i h PHE 296 Ca -0.47 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.09 2j3i h PHE 296 Cb 2.04 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 40.98 2j3i h PHE 296 CO 0.03 -0.54 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.06 2j3i h LEU 297 N -1.03 -1.48 0.00 0.59 3.38 -1.27 0.28 115.31 115.78 2j3i h LEU 297 Ca -0.10 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2j3i h LEU 297 Cb 0.76 0.65 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2j3i h LEU 297 CO 0.16 -0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.71 2j3i n GLU 298 N -5.41 0.06 -0.12 1.13 1.02 -1.19 -1.44 120.64 114.70 2j3i n GLU 298 Ca -0.00 0.27 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 2j3i n GLU 298 Cb 0.35 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 2j3i n GLU 298 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2j3i n PHE 299 N -1.40 0.56 0.12 -0.32 7.35 0.80 -4.58 117.46 120.00 2j3i n PHE 299 Ca 0.03 0.24 -0.20 0.00 -0.76 0.00 0.00 57.45 56.77 2j3i n PHE 299 Cb 0.09 -1.06 -0.14 0.00 0.35 0.00 0.00 39.48 38.73 2j3i n PHE 299 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 2j3i h VAL 300 N -1.00 1.39 -0.83 -2.13 -1.51 -0.95 -3.37 116.25 107.85 2j3i h VAL 300 Ca -0.51 -2.83 0.18 0.00 -1.23 0.00 0.00 66.70 62.31 2j3i h VAL 300 Cb 1.45 2.94 -0.11 0.00 -2.13 0.00 0.00 31.29 33.43 2j3i h VAL 300 CO -0.31 0.84 0.33 0.25 -1.23 0.00 0.00 177.57 177.45 2j3i h LEU 301 N 0.13 0.27 -1.36 4.19 5.85 -1.47 0.85 115.31 123.78 2j3i h LEU 301 Ca -0.19 0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.83 2j3i h LEU 301 Cb 2.03 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 43.11 2j3i h LEU 301 CO 0.24 0.04 0.57 1.55 -0.34 0.00 0.00 178.44 180.50 2j3i h PRO 302 N 0.41 0.57 0.00 5.25 0.13 -1.81 -3.05 132.00 133.50 2j3i h PRO 302 Ca 0.49 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 65.42 2j3i h PRO 302 Cb 0.85 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2j3i h PRO 302 CO -0.48 0.38 -0.77 0.45 -0.23 0.00 0.00 178.00 177.35 2j3i h HIS 303 N 0.59 0.00 0.37 1.56 3.86 0.50 -3.33 115.15 118.70 2j3i h HIS 303 Ca 0.45 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.64 2j3i h HIS 303 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2j3i h HIS 303 CO -0.00 0.77 -0.18 0.82 0.86 0.00 0.00 177.93 180.20 2j3i h ILE 304 N 0.00 0.19 0.00 2.45 2.04 -1.17 0.43 117.51 121.45 2j3i h ILE 304 Ca -0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2j3i h ILE 304 Cb 1.49 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2j3i h ILE 304 CO 0.10 0.05 0.00 -2.11 0.00 0.00 0.00 178.15 176.19 2j3i n ARG 305 N -5.11 0.74 0.00 2.37 1.85 -1.21 -1.42 116.66 113.88 2j3i n ARG 305 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 2j3i n ARG 305 Cb 0.23 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.52 2j3i n ARG 305 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2j3i n GLU 306 N 1.55 2.69 -1.71 2.89 2.13 -1.24 -5.03 120.64 121.92 2j3i n GLU 306 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2j3i n GLU 306 Cb 0.37 -0.22 0.00 0.00 0.27 0.00 0.00 31.44 31.86 2j3i n GLU 306 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2j3i n GLY 307 N 0.00 -0.10 1.74 8.31 0.00 -0.51 -5.05 105.19 109.59 2j3i n GLY 307 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2j3i n GLY 307 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j3i n LYS 308 N -1.28 0.00 -3.39 1.61 4.81 0.13 -5.03 118.16 115.00 2j3i n LYS 308 Ca -0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 2j3i n LYS 308 Cb 0.50 -0.13 -0.04 0.00 0.02 0.00 0.00 35.03 35.38 2j3i n LYS 308 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2j3i s ILE 309 N -2.00 5.00 0.31 3.15 -1.09 -0.04 -4.95 121.20 121.58 2j3i s ILE 309 Ca 0.00 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.68 2j3i s ILE 309 Cb 0.00 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2j3i s ILE 309 CO 0.00 -0.20 0.23 0.42 -1.23 0.00 0.00 174.94 174.16 2j3i s THR 310 N -1.95 0.07 0.22 2.92 -4.23 -1.26 -4.40 115.64 107.00 2j3i s THR 310 Ca 0.45 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 2j3i s THR 310 Cb -0.11 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2j3i s THR 310 CO 0.26 0.00 0.47 -0.47 -0.54 0.00 0.00 174.62 174.35 2j3i s TYR 311 N -3.58 0.17 -0.17 3.99 6.04 -1.26 -4.91 117.35 117.63 2j3i s TYR 311 Ca 0.39 -0.53 -0.06 0.00 0.04 0.00 0.00 57.07 56.90 2j3i s TYR 311 Cb 0.03 0.25 0.08 0.00 -1.04 0.00 0.00 41.96 41.28 2j3i s TYR 311 CO 0.23 -0.93 0.36 0.08 -1.54 0.00 0.00 175.55 173.75 2j3i s VAL 312 N -3.95 -0.50 -0.05 3.14 1.01 -1.26 -5.14 120.40 113.65 2j3i s VAL 312 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2j3i s VAL 312 Cb -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2j3i s VAL 312 CO 0.03 0.08 -0.04 -1.83 0.00 0.00 0.00 175.10 173.35 2j3i s GLU 313 N 2.40 0.83 -0.58 2.72 -1.05 -1.26 -1.30 118.70 120.47 2j3i s GLU 313 Ca -0.02 -0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.45 2j3i s GLU 313 Cb -0.12 -0.92 0.02 0.00 -0.44 0.00 0.00 34.13 32.68 2j3i s GLU 313 CO -0.11 -0.14 1.32 0.34 0.95 0.00 0.00 175.26 177.62 2j3i s ASP 314 N 1.18 6.26 -0.52 0.83 2.15 0.39 -4.85 116.67 122.10 2j3i s ASP 314 Ca -0.07 0.17 -0.15 0.00 0.43 0.00 0.00 52.55 52.93 2j3i s ASP 314 Cb -0.14 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.05 2j3i s ASP 314 CO -0.01 -1.63 0.46 -0.69 -0.17 0.00 0.00 175.17 173.13 2j3i s VAL 315 N 5.60 5.15 0.78 1.11 1.01 -1.26 -2.31 120.40 130.47 2j3i s VAL 315 Ca 0.48 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2j3i s VAL 315 Cb -0.09 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2j3i s VAL 315 CO 0.25 -0.78 1.11 0.00 0.00 0.00 0.00 175.10 175.67 2j3i s ALA 316 N 1.60 2.47 -0.19 5.51 0.00 -1.18 -4.90 121.76 125.07 2j3i s ALA 316 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2j3i s ALA 316 Cb -0.28 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2j3i s ALA 316 CO 0.04 -1.57 -0.08 -0.51 0.00 0.00 0.00 175.76 173.64 2j3i s ASP 317 N -4.14 3.19 0.00 0.00 1.01 -1.26 -1.16 116.67 114.31 2j3i s ASP 317 Ca 0.60 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 53.05 2j3i s ASP 317 Cb -0.13 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 42.71 2j3i s ASP 317 CO 0.53 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.35 2j3i n GLY 318 N 4.76 0.39 0.30 0.21 0.00 0.63 -4.23 105.19 107.25 2j3i n GLY 318 Ca -0.13 -1.63 0.18 0.00 0.00 0.00 0.00 46.02 44.44 2j3i n GLY 318 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j3i h LEU 319 N 0.00 0.00 0.19 0.99 3.38 -1.91 -2.08 115.31 115.87 2j3i h LEU 319 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2j3i h LEU 319 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2j3i h LEU 319 CO 0.00 0.03 -0.09 -0.33 0.09 0.00 0.00 178.44 178.14 2j3i h GLU 320 N 0.00 -0.24 -2.68 1.13 4.39 -1.98 -3.04 114.58 112.17 2j3i h GLU 320 Ca -0.00 0.02 -0.79 0.00 0.34 0.00 0.00 59.36 58.92 2j3i h GLU 320 Cb 0.20 0.05 -0.23 0.00 -0.10 0.00 0.00 28.75 28.67 2j3i h GLU 320 CO 0.00 -0.05 1.33 1.17 -1.16 0.00 0.00 179.01 180.30 2j3i n LYS 321 N -5.14 4.78 0.00 2.33 4.81 -0.79 -4.26 118.16 119.89 2j3i n LYS 321 Ca -0.09 -4.28 0.00 0.00 -0.87 0.00 0.00 58.31 53.07 2j3i n LYS 321 Cb 0.17 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.65 2j3i n LYS 321 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2j3i n ALA 322 N 1.17 1.53 -0.15 3.14 0.00 -1.15 -4.45 120.51 120.60 2j3i n ALA 322 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 2j3i n ALA 322 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 2j3i n ALA 322 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j3i h PRO 323 N 0.00 0.91 0.00 0.00 0.11 -1.77 -0.25 132.00 131.00 2j3i h PRO 323 Ca 0.00 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2j3i h PRO 323 Cb 0.52 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2j3i h PRO 323 CO 0.00 1.03 0.00 1.49 -0.21 0.00 0.00 178.00 180.31 2j3i h GLU 324 N 0.74 0.00 0.08 1.05 4.81 -1.85 -2.86 114.58 116.56 2j3i h GLU 324 Ca 0.10 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.99 2j3i h GLU 324 Cb 0.74 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2j3i h GLU 324 CO 0.06 0.00 -1.94 0.00 -0.73 0.00 0.00 179.01 176.40 2j3i n ALA 325 N -1.80 0.94 -0.07 2.92 0.00 -1.10 -3.50 120.51 117.91 2j3i n ALA 325 Ca 0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 2j3i n ALA 325 Cb 0.18 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 2j3i n ALA 325 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2j3i h LEU 326 N -0.18 0.33 -0.65 0.00 5.85 -0.83 -2.45 115.31 117.39 2j3i h LEU 326 Ca -0.44 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.14 2j3i h LEU 326 Cb 1.87 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.73 2j3i h LEU 326 CO -0.01 0.49 0.26 0.58 -0.34 0.00 0.00 178.44 179.42 2j3i h VAL 327 N 0.16 0.76 -0.38 1.05 2.07 -1.74 -2.17 116.25 116.00 2j3i h VAL 327 Ca 0.07 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2j3i h VAL 327 Cb 0.29 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2j3i h VAL 327 CO 0.00 0.08 0.49 1.23 0.02 0.00 0.00 177.57 179.39 2j3i h GLY 328 N 0.44 0.00 0.97 2.17 0.00 -1.47 -2.36 103.07 102.82 2j3i h GLY 328 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2j3i h GLY 328 CO -0.32 0.00 0.21 1.41 0.00 0.00 0.00 176.54 177.84 2j3i h LEU 329 N 0.00 0.65 -0.39 3.11 3.38 -1.41 0.13 115.31 120.77 2j3i h LEU 329 Ca 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2j3i h LEU 329 Cb 1.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2j3i h LEU 329 CO -0.00 0.62 0.00 0.49 0.09 0.00 0.00 178.44 179.64 2j3i n PHE 330 N -4.59 0.70 -0.06 1.13 3.72 -0.89 -3.36 117.46 114.11 2j3i n PHE 330 Ca 0.01 0.25 -0.12 0.00 -0.05 0.00 0.00 57.45 57.54 2j3i n PHE 330 Cb 0.14 -0.91 -0.04 0.00 -0.94 0.00 0.00 39.48 37.73 2j3i n PHE 330 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2j3i n HIS 331 N -2.12 0.00 0.00 1.38 8.25 -1.23 -5.06 115.22 116.45 2j3i n HIS 331 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2j3i n HIS 331 Cb 0.28 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2j3i n HIS 331 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j3i n GLY 332 N 2.31 0.83 0.17 -1.41 0.00 -0.04 -5.01 105.19 102.05 2j3i n GLY 332 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2j3i n GLY 332 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j3i h LYS 333 N 0.00 0.42 -6.03 1.61 3.64 -1.13 -3.43 116.57 111.64 2j3i h LYS 333 Ca 0.00 -0.03 -0.73 0.00 -1.27 0.00 0.00 60.65 58.63 2j3i h LYS 333 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2j3i h LYS 333 CO 0.00 0.28 1.23 0.27 -2.27 0.00 0.00 179.45 178.96 2j3i n ASN 334 N -4.90 1.76 -4.27 4.20 6.94 -1.20 -4.92 115.26 112.86 2j3i n ASN 334 Ca 0.02 0.69 -0.44 0.00 -0.02 0.00 0.00 54.58 54.82 2j3i n ASN 334 Cb 0.09 -1.11 -0.04 0.00 -2.36 0.00 0.00 39.78 36.35 2j3i n ASN 334 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2j3i s VAL 335 N 5.83 5.09 0.00 3.53 1.01 -1.26 -4.91 120.40 129.69 2j3i s VAL 335 Ca 1.10 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2j3i s VAL 335 Cb -1.12 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.06 2j3i s VAL 335 CO 0.60 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 175.35 2j3i n GLY 336 N 4.18 0.40 3.70 4.51 0.00 -1.26 -2.25 105.19 114.46 2j3i n GLY 336 Ca 0.06 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2j3i n GLY 336 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j3i s LYS 337 N 0.00 4.32 -0.39 1.61 2.36 -0.42 -4.33 119.74 122.89 2j3i s LYS 337 Ca 0.00 1.91 -0.24 0.00 -2.55 0.00 0.00 55.97 55.09 2j3i s LYS 337 Cb 0.00 -3.49 0.02 0.00 -1.05 0.00 0.00 37.83 33.30 2j3i s LYS 337 CO 0.00 -0.49 0.81 -1.14 1.55 0.00 0.00 175.35 176.08 2j3i s GLN 338 N 2.00 3.65 0.38 4.03 2.00 -1.26 -0.46 119.66 129.99 2j3i s GLN 338 Ca 0.62 0.21 0.08 0.00 -2.00 0.00 0.00 55.36 54.27 2j3i s GLN 338 Cb -0.31 -3.85 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 2j3i s GLN 338 CO 0.27 -0.96 0.17 0.54 -0.50 0.00 0.00 175.29 174.81 2j3i s VAL 339 N 3.23 2.69 -0.24 1.34 0.11 -0.98 0.85 120.40 127.42 2j3i s VAL 339 Ca 0.32 -1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 57.67 2j3i s VAL 339 Cb -0.13 -2.98 0.08 0.00 -1.53 0.00 0.00 36.38 31.82 2j3i s VAL 339 CO 0.19 -0.10 0.07 -0.69 -3.33 0.00 0.00 175.10 171.25 2j3i s VAL 340 N -2.50 0.47 -0.33 2.04 1.01 -0.00 -3.10 120.40 117.99 2j3i s VAL 340 Ca 0.40 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2j3i s VAL 340 Cb -0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2j3i s VAL 340 CO 0.23 -0.41 1.74 -0.69 0.00 0.00 0.00 175.10 175.97 2j3i s VAL 341 N 1.86 3.54 -0.78 2.92 1.01 -0.31 -2.08 120.40 126.56 2j3i s VAL 341 Ca 0.03 0.55 0.14 0.00 0.00 0.00 0.00 61.98 62.71 2j3i s VAL 341 Cb -0.17 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 2j3i s VAL 341 CO -0.17 -0.44 0.63 0.55 0.00 0.00 0.00 175.10 175.67 2j3i n VAL 342 N 7.31 0.00 -3.30 2.92 3.14 0.09 -0.27 118.33 128.22 2j3i n VAL 342 Ca 0.22 -0.20 0.03 0.00 -2.96 0.00 0.00 64.34 61.43 2j3i n VAL 342 Cb 0.47 1.03 -0.02 0.00 -1.06 0.00 0.00 33.84 34.25 2j3i n VAL 342 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2j3i s ALA 343 N -2.22 -2.59 0.20 1.55 0.00 -0.81 -4.91 121.76 112.98 2j3i s ALA 343 Ca 0.07 1.89 0.14 0.00 0.00 0.00 0.00 51.96 54.06 2j3i s ALA 343 Cb 0.11 -2.15 0.47 0.00 0.00 0.00 0.00 23.12 21.55 2j3i s ALA 343 CO 0.54 -1.21 1.65 0.00 0.00 0.00 0.00 175.76 176.74 2j3i h ARG 344 N 7.90 0.00 0.00 0.00 3.08 -1.91 -3.43 114.38 120.02 2j3i h ARG 344 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2j3i h ARG 344 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2j3i h ARG 344 CO 0.11 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 179.92