#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sji n LEU 4 N 0.00 0.00 -1.63 0.99 4.77 -1.26 -5.03 117.00 114.84 1sji n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sji n LEU 4 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sji n LEU 4 CO 0.00 0.00 -0.44 0.59 -1.33 0.00 0.00 177.39 176.21 1sji n ASN 5 N 6.37 -8.65 -1.98 -1.43 3.02 -1.26 -5.06 115.26 106.28 1sji n ASN 5 Ca 0.00 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1sji n ASN 5 Cb 0.00 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 1sji n ASN 5 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1sji n PHE 6 N -0.18 -4.20 0.00 3.10 3.01 -1.26 -4.70 117.46 113.23 1sji n PHE 6 Ca 0.00 2.44 0.00 0.00 1.01 0.00 0.00 57.45 60.90 1sji n PHE 6 Cb 0.00 -3.17 0.00 0.00 -0.01 0.00 0.00 39.48 36.30 1sji n PHE 6 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1sji n PRO 7 N 1.53 0.00 -2.42 -1.08 -0.02 -1.26 -4.82 135.00 126.93 1sji n PRO 7 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1sji n PRO 7 Cb 0.00 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1sji n PRO 7 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sji s THR 8 N 0.69 4.11 0.03 3.45 2.01 -1.26 -4.87 115.64 119.81 1sji s THR 8 Ca 0.00 1.24 -0.24 0.00 0.31 0.00 0.00 61.69 63.00 1sji s THR 8 Cb 0.00 -4.18 -0.13 0.00 0.01 0.00 0.00 72.50 68.20 1sji s THR 8 CO 0.00 -0.53 0.62 0.00 -0.69 0.00 0.00 174.62 174.02 1sji n TYR 9 N 7.78 0.24 -0.07 4.92 9.36 -1.26 -4.92 117.16 133.21 1sji n TYR 9 Ca 0.15 0.69 -0.08 0.00 3.32 0.00 0.00 57.90 61.97 1sji n TYR 9 Cb 0.47 -1.36 0.08 0.00 -0.63 0.00 0.00 39.34 37.90 1sji n TYR 9 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1sji h ASP 10 N 1.65 0.77 0.00 2.98 3.45 -1.96 -3.48 116.42 119.84 1sji h ASP 10 Ca -0.30 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 56.86 1sji h ASP 10 Cb 0.95 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 1sji h ASP 10 CO 0.42 1.01 0.00 0.61 -1.57 0.00 0.00 179.24 179.71 1sji n GLY 11 N -0.14 3.23 3.18 2.75 0.00 -1.26 -5.07 105.19 107.88 1sji n GLY 11 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1sji n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sji n LYS 12 N -1.42 -3.14 -3.92 1.61 5.02 -1.26 -5.03 118.16 110.02 1sji n LYS 12 Ca 0.00 -0.92 -0.31 0.00 -2.02 0.00 0.00 58.31 55.06 1sji n LYS 12 Cb 0.00 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.11 1sji n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sji s ASP 13 N -2.39 4.31 -0.01 4.39 1.11 -1.26 -4.95 116.67 117.88 1sji s ASP 13 Ca 0.54 -1.72 0.07 0.00 0.18 0.00 0.00 52.55 51.62 1sji s ASP 13 Cb -0.11 -1.30 -0.09 0.00 1.07 0.00 0.00 42.92 42.48 1sji s ASP 13 CO 0.50 -0.34 0.20 0.54 1.18 0.00 0.00 175.17 177.25 1sji n ARG 14 N 4.53 1.96 -3.15 8.23 1.74 -1.26 -4.85 116.66 123.86 1sji n ARG 14 Ca -0.03 -0.04 -0.45 0.00 -0.77 0.00 0.00 57.85 56.56 1sji n ARG 14 Cb 0.43 -1.03 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 1sji n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sji s VAL 15 N -2.15 5.04 0.74 1.55 1.01 -1.26 -4.66 120.40 120.68 1sji s VAL 15 Ca -0.01 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1sji s VAL 15 Cb 0.05 -4.52 0.04 0.00 0.00 0.00 0.00 36.38 31.95 1sji s VAL 15 CO 0.28 -1.14 1.12 0.68 0.00 0.00 0.00 175.10 176.04 1sji s VAL 16 N 1.94 2.80 -0.16 2.92 -7.23 -1.16 -4.77 120.40 114.75 1sji s VAL 16 Ca 0.16 0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.46 1sji s VAL 16 Cb -0.18 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 1sji s VAL 16 CO -0.01 -0.32 0.13 -0.44 -0.31 0.00 0.00 175.10 174.15 1sji s SER 17 N -4.46 6.25 0.10 4.85 0.01 -1.26 -0.73 113.70 118.46 1sji s SER 17 Ca 0.60 0.33 -0.26 0.00 1.31 0.00 0.00 55.95 57.92 1sji s SER 17 Cb -0.11 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 1sji s SER 17 CO 0.50 0.28 0.82 -0.76 0.41 0.00 0.00 173.24 174.49 1sji s LEU 18 N -0.28 4.51 0.03 2.44 1.43 -0.34 -4.86 118.68 121.61 1sji s LEU 18 Ca 0.11 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1sji s LEU 18 Cb -0.11 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1sji s LEU 18 CO 0.01 0.05 -0.04 0.42 0.23 0.00 0.00 176.35 177.02 1sji s THR 19 N -0.36 0.21 0.62 5.49 -4.23 -1.26 -4.72 115.64 111.39 1sji s THR 19 Ca 0.40 -0.97 0.30 0.00 -1.18 0.00 0.00 61.69 60.24 1sji s THR 19 Cb -0.22 -0.37 0.36 0.00 1.34 0.00 0.00 72.50 73.61 1sji s THR 19 CO 0.26 -0.48 2.00 1.05 -0.54 0.00 0.00 174.62 176.90 1sji h GLU 20 N 4.58 0.00 0.00 3.99 -0.00 -1.96 0.17 114.58 121.37 1sji h GLU 20 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 1sji h GLU 20 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1sji h GLU 20 CO 0.41 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 181.05 1sji n LYS 21 N -3.48 0.00 0.25 1.06 4.76 -1.26 -4.16 118.16 115.34 1sji n LYS 21 Ca 0.02 0.05 0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1sji n LYS 21 Cb 0.43 -0.92 0.65 0.00 -1.84 0.00 0.00 35.03 33.36 1sji n LYS 21 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1sji h ASN 22 N 0.00 0.00 -0.21 4.39 7.08 -1.76 -3.38 115.58 121.71 1sji h ASN 22 Ca 0.00 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.24 1sji h ASN 22 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 1sji h ASN 22 CO 0.00 0.14 -0.12 0.33 -2.08 0.00 0.00 177.43 175.70 1sji n PHE 23 N -3.45 -0.07 0.03 4.14 -0.00 0.54 -0.55 117.46 118.10 1sji n PHE 23 Ca -0.01 0.26 -0.12 0.00 -0.00 0.00 0.00 57.45 57.58 1sji n PHE 23 Cb 0.31 -0.53 -0.05 0.00 -0.00 0.00 0.00 39.48 39.21 1sji n PHE 23 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 1sji h LYS 24 N 0.00 -0.46 0.00 -4.13 2.10 -1.81 -0.88 116.57 111.39 1sji h LYS 24 Ca 0.04 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1sji h LYS 24 Cb 0.09 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1sji h LYS 24 CO -0.20 -0.31 -0.06 1.96 -2.00 0.00 0.00 179.45 178.85 1sji h GLN 25 N -0.48 0.00 0.05 0.07 1.08 -1.12 -1.43 115.11 113.28 1sji h GLN 25 Ca 0.07 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1sji h GLN 25 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1sji h GLN 25 CO -0.32 0.00 -0.02 0.28 -0.95 0.00 0.00 178.83 177.82 1sji h VAL 26 N 0.00 1.08 -0.09 -0.54 2.07 -0.83 -2.88 116.25 115.05 1sji h VAL 26 Ca 0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1sji h VAL 26 Cb 0.98 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1sji h VAL 26 CO 0.00 0.34 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 1sji h LEU 27 N -0.94 0.11 -5.35 2.57 3.38 -1.15 -0.89 115.31 113.03 1sji h LEU 27 Ca -0.01 -0.01 -0.71 0.00 0.09 0.00 0.00 57.88 57.25 1sji h LEU 27 Cb 0.60 -0.03 -0.33 0.00 0.09 0.00 0.00 40.66 41.00 1sji h LEU 27 CO 0.01 0.13 0.34 0.29 0.09 0.00 0.00 178.44 179.30 1sji n LYS 28 N -4.46 3.82 0.00 1.13 4.76 -0.54 -4.20 118.16 118.67 1sji n LYS 28 Ca -0.02 -4.36 0.00 0.00 -2.87 0.00 0.00 58.31 51.07 1sji n LYS 28 Cb 0.13 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 1sji n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1sji n LYS 29 N -0.32 0.71 -4.28 1.97 4.81 -0.35 -4.85 118.16 115.84 1sji n LYS 29 Ca 0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.58 1sji n LYS 29 Cb 0.36 -0.58 -0.10 0.00 0.02 0.00 0.00 35.03 34.73 1sji n LYS 29 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sji s TYR 30 N -1.15 2.76 -0.06 5.64 2.02 -1.15 -5.06 117.35 120.35 1sji s TYR 30 Ca 0.00 -0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1sji s TYR 30 Cb 0.00 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 1sji s TYR 30 CO 0.00 0.41 0.23 0.22 -1.57 0.00 0.00 175.55 174.84 1sji h ASP 31 N 3.79 -0.15 -3.27 2.29 -0.00 -1.89 -3.46 116.42 113.73 1sji h ASP 31 Ca -0.49 0.01 -0.67 0.00 -0.00 0.00 0.00 57.03 55.88 1sji h ASP 31 Cb 1.17 0.04 -0.13 0.00 -0.00 0.00 0.00 39.33 40.40 1sji h ASP 31 CO 0.52 0.23 -0.62 -0.69 -0.00 0.00 0.00 179.24 178.69 1sji s VAL 32 N -2.08 4.38 -0.07 2.25 1.01 -1.19 -4.76 120.40 119.94 1sji s VAL 32 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1sji s VAL 32 Cb 0.00 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.50 1sji s VAL 32 CO 0.08 0.46 0.13 -0.22 0.00 0.00 0.00 175.10 175.54 1sji s LEU 33 N -1.34 0.30 -0.26 3.92 0.20 -1.10 0.50 118.68 120.91 1sji s LEU 33 Ca 0.18 0.25 -0.11 0.00 0.69 0.00 0.00 54.13 55.15 1sji s LEU 33 Cb -0.12 0.20 -0.05 0.00 -0.43 0.00 0.00 46.19 45.80 1sji s LEU 33 CO 0.08 -0.21 0.17 0.00 -0.29 0.00 0.00 176.35 176.10 1sji s LEU 35 N 1.46 2.09 -0.44 0.00 1.02 0.00 -1.23 118.68 121.58 1sji s LEU 35 Ca 0.07 -0.90 -0.11 0.00 0.02 0.00 0.00 54.13 53.21 1sji s LEU 35 Cb -0.15 -1.08 0.08 0.00 0.02 0.00 0.00 46.19 45.07 1sji s LEU 35 CO 0.08 -0.19 0.30 -0.47 0.02 0.00 0.00 176.35 176.09 1sji s TYR 36 N 1.50 3.33 -0.13 0.29 5.04 -0.78 -1.19 117.35 125.40 1sji s TYR 36 Ca -0.02 -1.43 -0.29 0.00 -2.44 0.00 0.00 57.07 52.88 1sji s TYR 36 Cb -0.17 -3.09 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 1sji s TYR 36 CO -0.07 -0.86 1.00 -0.47 -1.34 0.00 0.00 175.55 173.81 1sji s TYR 37 N 1.47 3.48 0.26 4.97 5.04 -0.40 -2.15 117.35 130.02 1sji s TYR 37 Ca 0.04 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.21 1sji s TYR 37 Cb -0.24 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1sji s TYR 37 CO 0.03 -0.27 0.35 -2.39 -1.34 0.00 0.00 175.55 171.93 1sji n HIS 38 N 5.24 -1.13 -3.33 4.97 1.44 -0.04 -1.18 115.22 121.20 1sji n HIS 38 Ca 0.09 -1.82 0.02 0.00 -2.01 0.00 0.00 57.72 54.01 1sji n HIS 38 Cb 0.48 0.39 -0.02 0.00 0.12 0.00 0.00 29.99 30.96 1sji n HIS 38 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1sji s GLU 39 N -2.65 0.46 -0.36 -1.40 -6.30 -1.26 0.25 118.70 107.44 1sji s GLU 39 Ca 0.23 0.97 -0.18 0.00 -2.50 0.00 0.00 54.97 53.49 1sji s GLU 39 Cb -0.00 0.56 -0.00 0.00 0.00 0.00 0.00 34.13 34.69 1sji s GLU 39 CO 0.16 -0.34 0.48 0.45 0.02 0.00 0.00 175.26 176.03 1sji s SER 40 N 2.81 6.27 -0.24 -1.70 0.15 -1.26 -4.97 113.70 114.77 1sji s SER 40 Ca 0.06 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 1sji s SER 40 Cb -0.12 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1sji s SER 40 CO -0.18 -0.48 1.22 0.68 1.20 0.00 0.00 173.24 175.67 1sji s VAL 41 N 2.31 4.33 0.00 4.45 -7.23 -1.26 -4.99 120.40 118.02 1sji s VAL 41 Ca 0.17 1.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.91 1sji s VAL 41 Cb -0.16 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.63 1sji s VAL 41 CO 0.13 -0.29 0.00 -0.24 -0.31 0.00 0.00 175.10 174.39 1sji n SER 42 N 6.91 0.00 -3.15 4.85 2.88 -1.26 -2.99 113.62 120.86 1sji n SER 42 Ca 0.14 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 1sji n SER 42 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1sji n SER 42 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1sji n SER 43 N -1.00 5.40 -4.50 -3.46 2.88 -1.26 -4.84 113.62 106.83 1sji n SER 43 Ca 0.00 -3.69 -0.43 0.00 -1.33 0.00 0.00 58.87 53.42 1sji n SER 43 Cb 0.00 -0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 1sji n SER 43 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sji s ASP 44 N -2.81 6.61 0.53 -3.46 -1.08 -1.16 -4.89 116.67 110.40 1sji s ASP 44 Ca 0.46 -1.86 0.26 0.00 -0.52 0.00 0.00 52.55 50.89 1sji s ASP 44 Cb 0.26 -2.48 1.41 0.00 -1.46 0.00 0.00 42.92 40.65 1sji s ASP 44 CO -0.14 -1.24 1.99 0.50 0.52 0.00 0.00 175.17 176.80 1sji h LYS 45 N 9.10 0.00 0.57 4.34 3.64 -1.89 0.17 116.57 132.49 1sji h LYS 45 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1sji h LYS 45 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1sji h LYS 45 CO 1.26 0.00 -0.36 0.28 -2.27 0.00 0.00 179.45 178.36 1sji h VAL 46 N 0.00 0.26 -0.30 2.00 2.07 -1.96 0.43 116.25 118.76 1sji h VAL 46 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1sji h VAL 46 Cb 1.06 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1sji h VAL 46 CO -0.00 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1sji h ALA 47 N -0.54 1.61 -0.20 1.67 0.00 -1.20 0.80 119.26 121.41 1sji h ALA 47 Ca -0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1sji h ALA 47 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sji h ALA 47 CO 0.06 0.30 -0.19 1.96 0.00 0.00 0.00 179.25 181.39 1sji h GLN 48 N 0.42 0.48 -0.28 0.00 4.20 -0.60 -1.56 115.11 117.78 1sji h GLN 48 Ca 0.10 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1sji h GLN 48 Cb 0.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1sji h GLN 48 CO -0.01 0.82 -0.28 0.87 -0.67 0.00 0.00 178.83 179.57 1sji h LYS 49 N 0.16 0.57 -0.30 1.46 1.57 0.64 -0.43 116.57 120.24 1sji h LYS 49 Ca 0.03 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1sji h LYS 49 Cb 0.73 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1sji h LYS 49 CO 0.05 0.79 -0.30 0.37 -0.57 0.00 0.00 179.45 179.78 1sji h GLN 50 N 0.49 0.64 -0.16 3.15 4.15 0.63 -3.03 115.11 120.98 1sji h GLN 50 Ca 0.07 -0.28 -0.21 0.00 0.77 0.00 0.00 58.65 58.99 1sji h GLN 50 Cb 0.74 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.41 1sji h GLN 50 CO 0.06 0.87 -0.74 0.35 -1.93 0.00 0.00 178.83 177.43 1sji h PHE 51 N 0.55 0.98 -0.07 3.99 3.57 -0.92 -3.30 116.94 121.74 1sji h PHE 51 Ca 0.07 -0.42 0.02 0.00 3.53 0.00 0.00 57.97 61.16 1sji h PHE 51 Cb 0.79 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1sji h PHE 51 CO 0.03 1.24 0.24 0.37 -2.23 0.00 0.00 178.31 177.96 1sji h GLN 52 N 0.51 0.00 0.00 1.11 4.15 -0.96 0.98 115.11 120.90 1sji h GLN 52 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1sji h GLN 52 Cb 1.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1sji h GLN 52 CO 0.15 0.00 -0.00 1.25 -1.93 0.00 0.00 178.83 178.30 1sji h LEU 53 N 0.00 -0.00 -0.84 -2.39 7.12 -1.62 -2.85 115.31 114.73 1sji h LEU 53 Ca 0.03 -0.78 -0.08 0.00 0.13 0.00 0.00 57.88 57.17 1sji h LEU 53 Cb 0.51 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 1sji h LEU 53 CO -0.00 0.78 -0.04 0.11 -0.13 0.00 0.00 178.44 179.17 1sji h LYS 54 N -0.79 0.83 -0.34 1.25 1.57 -1.13 -1.40 116.57 116.55 1sji h LYS 54 Ca -0.00 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1sji h LYS 54 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1sji h LYS 54 CO 0.00 0.85 -0.22 1.49 -0.57 0.00 0.00 179.45 181.01 1sji h GLU 55 N 0.76 0.74 -0.63 3.15 4.81 -1.01 -2.19 114.58 120.21 1sji h GLU 55 Ca 0.14 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1sji h GLU 55 Cb 0.51 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1sji h GLU 55 CO 0.03 0.96 0.38 0.97 -0.73 0.00 0.00 179.01 180.62 1sji h ILE 56 N 0.52 1.18 -0.12 2.32 6.09 -1.24 -1.06 117.51 125.19 1sji h ILE 56 Ca 0.07 -0.40 0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1sji h ILE 56 Cb 0.77 0.32 -0.04 0.00 0.47 0.00 0.00 36.82 38.34 1sji h ILE 56 CO 0.06 0.19 -0.10 0.58 -3.07 0.00 0.00 178.15 175.81 1sji h VAL 57 N 0.85 0.72 -0.88 2.19 2.07 -1.17 -0.35 116.25 119.68 1sji h VAL 57 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.75 1sji h VAL 57 Cb -0.03 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1sji h VAL 57 CO -0.04 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.06 1sji h LEU 58 N -0.11 1.01 -0.96 2.57 -0.00 -0.98 0.09 115.31 116.93 1sji h LEU 58 Ca 0.08 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.82 1sji h LEU 58 Cb 0.23 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 1sji h LEU 58 CO -0.19 0.73 -0.50 -0.08 -0.00 0.00 0.00 178.44 178.40 1sji h GLU 59 N 1.19 0.04 -0.54 1.13 4.81 -0.28 0.15 114.58 121.08 1sji h GLU 59 Ca 0.32 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1sji h GLU 59 Cb -0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1sji h GLU 59 CO -0.07 0.54 -0.12 1.25 -0.73 0.00 0.00 179.01 179.88 1sji h LEU 60 N 0.04 1.04 0.61 1.64 5.85 -0.55 -1.52 115.31 122.42 1sji h LEU 60 Ca -0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1sji h LEU 60 Cb 0.90 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.66 1sji h LEU 60 CO 0.07 1.16 -0.29 0.58 -0.34 0.00 0.00 178.44 179.61 1sji h VAL 61 N 0.92 0.38 -1.19 1.05 2.07 -0.57 -2.25 116.25 116.67 1sji h VAL 61 Ca 0.14 -0.07 0.37 0.00 0.82 0.00 0.00 66.70 67.96 1sji h VAL 61 Cb 0.69 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.75 1sji h VAL 61 CO 0.05 0.01 0.75 0.00 0.02 0.00 0.00 177.57 178.40 1sji h ALA 62 N -0.50 2.47 -0.21 1.67 0.00 -0.70 0.14 119.26 122.13 1sji h ALA 62 Ca -0.08 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1sji h ALA 62 Cb 0.65 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sji h ALA 62 CO 0.14 -1.04 -0.37 0.37 0.00 0.00 0.00 179.25 178.35 1sji h GLN 63 N 0.19 0.62 -0.39 0.00 4.15 -1.10 -1.78 115.11 116.80 1sji h GLN 63 Ca 0.75 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 59.69 1sji h GLN 63 Cb 2.16 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.87 1sji h GLN 63 CO -0.43 1.00 -0.16 0.28 -1.93 0.00 0.00 178.83 177.59 1sji h VAL 64 N 0.31 1.26 -0.44 2.39 2.07 -0.54 -3.14 116.25 118.17 1sji h VAL 64 Ca 0.01 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 1sji h VAL 64 Cb 0.96 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1sji h VAL 64 CO 0.08 0.41 0.07 0.18 0.02 0.00 0.00 177.57 178.33 1sji n LEU 65 N -4.15 4.68 -0.14 2.57 4.77 -0.11 -4.80 117.00 119.83 1sji n LEU 65 Ca 0.01 -3.25 -0.08 0.00 -0.03 0.00 0.00 56.01 52.65 1sji n LEU 65 Cb 0.39 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1sji n LEU 65 CO 0.43 0.85 0.60 -0.08 -1.33 0.00 0.00 177.39 177.86 1sji h GLU 66 N 1.94 -0.26 -3.92 3.23 4.81 -1.27 -3.15 114.58 115.96 1sji h GLU 66 Ca 0.13 0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.82 1sji h GLU 66 Cb 1.79 0.06 -0.39 0.00 0.63 0.00 0.00 28.75 30.84 1sji h GLU 66 CO 0.43 -0.17 -0.77 -1.01 -0.73 0.00 0.00 179.01 176.75 1sji s HIS 67 N -5.92 1.64 0.00 0.92 3.76 -1.26 -3.86 115.29 110.56 1sji s HIS 67 Ca -0.15 -1.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.52 1sji s HIS 67 Cb 0.13 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.55 1sji s HIS 67 CO 0.67 -0.68 0.00 1.17 -0.85 0.00 0.00 174.74 175.05 1sji n LYS 68 N 4.88 0.00 -2.61 1.40 3.00 -1.19 -5.11 118.16 118.54 1sji n LYS 68 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.19 1sji n LYS 68 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.49 1sji n LYS 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1sji n ASP 69 N -0.29 -5.96 -4.81 3.14 2.03 -1.25 -5.00 116.55 104.40 1sji n ASP 69 Ca 0.00 -0.11 -0.24 0.00 0.52 0.00 0.00 54.79 54.96 1sji n ASP 69 Cb 0.00 -4.00 -0.05 0.00 -0.72 0.00 0.00 41.12 36.35 1sji n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1sji s ILE 70 N -3.04 2.29 -0.05 5.18 1.09 -1.26 -3.20 121.20 122.22 1sji s ILE 70 Ca 0.04 -1.56 0.02 0.00 -1.10 0.00 0.00 60.65 58.05 1sji s ILE 70 Cb -0.01 -2.86 0.02 0.00 -1.06 0.00 0.00 42.46 38.56 1sji s ILE 70 CO 0.52 0.00 -0.07 -0.83 -0.10 0.00 0.00 174.94 174.46 1sji s GLY 71 N -4.03 0.56 -0.28 6.18 0.00 0.18 -4.84 107.32 105.08 1sji s GLY 71 Ca 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1sji s GLY 71 CO 0.24 0.26 0.02 -1.36 0.00 0.00 0.00 173.10 172.26 1sji s PHE 72 N 0.72 3.13 0.27 1.90 0.40 -1.25 0.82 117.98 123.97 1sji s PHE 72 Ca -0.11 -1.25 0.03 0.00 -0.60 0.00 0.00 56.93 54.99 1sji s PHE 72 Cb -0.14 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.16 1sji s PHE 72 CO 0.01 -0.65 0.06 0.14 0.70 0.00 0.00 175.22 175.49 1sji s VAL 73 N 1.42 0.89 -0.12 -0.44 -7.23 -0.37 -2.99 120.40 111.56 1sji s VAL 73 Ca 0.01 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1sji s VAL 73 Cb -0.17 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 1sji s VAL 73 CO -0.00 -0.08 -0.20 -0.04 -0.31 0.00 0.00 175.10 174.46 1sji s MET 74 N -3.94 3.14 -0.23 4.82 -1.94 0.09 -1.87 119.30 119.38 1sji s MET 74 Ca 0.35 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1sji s MET 74 Cb 0.08 -2.42 0.05 0.00 2.01 0.00 0.00 34.83 34.55 1sji s MET 74 CO 0.13 0.15 -0.08 0.08 -0.01 0.00 0.00 175.02 175.29 1sji s VAL 75 N 0.44 1.68 0.46 -6.03 1.01 -0.91 -1.20 120.40 115.84 1sji s VAL 75 Ca -0.15 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 1sji s VAL 75 Cb -0.17 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1sji s VAL 75 CO 0.06 0.01 1.04 -0.62 0.00 0.00 0.00 175.10 175.59 1sji s ASP 76 N 1.35 6.48 0.00 3.32 2.15 -1.26 -0.86 116.67 127.85 1sji s ASP 76 Ca -0.05 1.95 0.22 0.00 0.43 0.00 0.00 52.55 55.11 1sji s ASP 76 Cb -0.18 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 1sji s ASP 76 CO -0.07 -0.69 1.05 0.00 -0.17 0.00 0.00 175.17 175.30 1sji n ALA 77 N -0.71 3.84 -0.03 3.66 0.00 0.14 -3.87 120.51 123.54 1sji n ALA 77 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 1sji n ALA 77 Cb 0.52 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1sji n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sji n LYS 78 N -0.38 0.29 -1.57 0.00 4.81 -1.26 -4.59 118.16 115.47 1sji n LYS 78 Ca 0.08 0.11 -0.30 0.00 -0.87 0.00 0.00 58.31 57.33 1sji n LYS 78 Cb 0.44 -0.98 0.07 0.00 0.02 0.00 0.00 35.03 34.58 1sji n LYS 78 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1sji s LYS 79 N -2.35 2.54 -1.16 1.64 0.00 -1.26 -4.14 119.74 115.00 1sji s LYS 79 Ca -0.16 0.80 0.00 0.00 0.00 0.00 0.00 55.97 56.61 1sji s LYS 79 Cb 0.02 -1.96 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1sji s LYS 79 CO 0.23 -1.34 0.00 -1.91 0.00 0.00 0.00 175.35 172.33 1sji n GLU 80 N -3.27 -2.05 0.21 1.78 4.07 -1.26 -4.43 120.64 115.68 1sji n GLU 80 Ca 0.07 0.66 0.14 0.00 -0.06 0.00 0.00 57.16 57.97 1sji n GLU 80 Cb 0.55 -5.21 0.42 0.00 -0.06 0.00 0.00 31.44 27.14 1sji n GLU 80 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sji h ALA 81 N 0.96 1.00 0.11 4.31 0.00 -1.72 -3.23 119.26 120.69 1sji h ALA 81 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 1sji h ALA 81 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1sji h ALA 81 CO 0.37 0.00 -2.04 1.63 0.00 0.00 0.00 179.25 179.21 1sji n LYS 82 N -2.83 0.75 -2.46 0.00 5.02 -1.26 -3.25 118.16 114.12 1sji n LYS 82 Ca 0.03 0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 1sji n LYS 82 Cb 0.40 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1sji n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1sji n LEU 83 N -3.44 5.51 0.00 -0.35 -0.00 -1.22 0.29 117.00 117.78 1sji n LEU 83 Ca -0.33 -4.12 0.00 0.00 -0.00 0.00 0.00 56.01 51.56 1sji n LEU 83 Cb 1.04 -1.69 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1sji n LEU 83 CO 0.41 0.55 0.00 0.00 -0.00 0.00 0.00 177.39 178.35 1sji n ALA 84 N 7.07 0.00 0.24 1.96 0.00 -1.26 -4.79 120.51 123.72 1sji n ALA 84 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1sji n ALA 84 Cb 0.43 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.37 1sji n ALA 84 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sji h LYS 85 N 0.00 0.00 -0.88 0.00 2.10 -1.38 -0.24 116.57 116.18 1sji h LYS 85 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1sji h LYS 85 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1sji h LYS 85 CO 0.00 0.14 0.01 1.63 -2.00 0.00 0.00 179.45 179.23 1sji n LYS 86 N -3.26 2.19 0.00 0.07 5.02 0.14 -3.11 118.16 119.21 1sji n LYS 86 Ca 0.01 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 1sji n LYS 86 Cb 0.41 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1sji n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sji n LEU 87 N 0.19 0.00 0.00 -0.35 4.77 -0.70 -4.97 117.00 115.93 1sji n LEU 87 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1sji n LEU 87 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1sji n LEU 87 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1sji n GLY 88 N 1.53 2.11 3.55 -0.72 0.00 -0.18 -5.02 105.19 106.46 1sji n GLY 88 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1sji n GLY 88 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sji n PHE 89 N -0.56 1.00 0.57 1.61 3.72 -0.92 -4.84 117.46 118.05 1sji n PHE 89 Ca 0.00 -0.05 0.12 0.00 -0.05 0.00 0.00 57.45 57.47 1sji n PHE 89 Cb 0.00 -2.43 0.45 0.00 -0.94 0.00 0.00 39.48 36.57 1sji n PHE 89 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1sji n ASP 90 N 17.81 0.49 -3.64 4.37 3.85 -1.26 -4.69 116.55 133.48 1sji n ASP 90 Ca 0.46 0.58 -0.08 0.00 -0.71 0.00 0.00 54.79 55.05 1sji n ASP 90 Cb 0.42 -0.70 -0.07 0.00 -1.35 0.00 0.00 41.12 39.42 1sji n ASP 90 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 1sji s GLU 91 N -3.15 0.67 0.39 0.11 1.03 -1.26 -5.14 118.70 111.35 1sji s GLU 91 Ca 0.08 1.07 -0.25 0.00 0.03 0.00 0.00 54.97 55.90 1sji s GLU 91 Cb 0.12 0.18 -0.12 0.00 -0.80 0.00 0.00 34.13 33.51 1sji s GLU 91 CO 0.45 -0.13 0.93 0.39 -1.33 0.00 0.00 175.26 175.57 1sji n GLU 92 N 3.82 1.20 0.00 -4.83 1.02 -1.26 -3.51 120.64 117.08 1sji n GLU 92 Ca -0.18 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1sji n GLU 92 Cb 0.58 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1sji n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sji n GLY 93 N 1.30 1.89 3.86 0.62 0.00 -0.32 -4.99 105.19 107.54 1sji n GLY 93 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1sji n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sji s SER 94 N -1.84 6.65 -0.33 1.61 0.01 -1.14 -4.82 113.70 113.84 1sji s SER 94 Ca 0.00 1.30 -0.08 0.00 1.31 0.00 0.00 55.95 58.48 1sji s SER 94 Cb 0.00 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1sji s SER 94 CO 0.00 -0.37 0.13 -0.22 0.41 0.00 0.00 173.24 173.19 1sji s LEU 95 N -3.57 4.24 0.23 2.44 2.96 -1.26 -1.28 118.68 122.45 1sji s LEU 95 Ca 0.54 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1sji s LEU 95 Cb -0.10 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1sji s LEU 95 CO 0.25 -0.28 0.31 -0.31 -1.32 0.00 0.00 176.35 175.01 1sji s TYR 96 N 1.50 3.38 -0.05 5.38 2.02 -0.33 -3.46 117.35 125.79 1sji s TYR 96 Ca 0.02 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 1sji s TYR 96 Cb -0.18 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1sji s TYR 96 CO 0.04 0.47 0.03 0.08 -1.57 0.00 0.00 175.55 174.60 1sji s VAL 97 N -1.98 0.06 -0.22 0.71 1.01 -0.61 -0.82 120.40 118.55 1sji s VAL 97 Ca 0.34 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1sji s VAL 97 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1sji s VAL 97 CO 0.28 0.19 0.10 -0.76 0.00 0.00 0.00 175.10 174.91 1sji s LEU 98 N 1.88 3.83 0.00 3.92 1.02 0.79 -1.87 118.68 128.25 1sji s LEU 98 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1sji s LEU 98 Cb -0.12 -2.01 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1sji s LEU 98 CO -0.03 0.07 0.00 1.17 0.02 0.00 0.00 176.35 177.58 1sji n LYS 99 N 4.24 0.00 -0.01 1.70 4.81 -0.95 -2.70 118.16 125.25 1sji n LYS 99 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1sji n LYS 99 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1sji n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sji n GLY 100 N 0.91 -0.18 3.24 3.14 0.00 -1.26 -4.71 105.19 106.33 1sji n GLY 100 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1sji n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sji n ASP 101 N -0.32 -6.49 -3.69 1.61 8.00 -1.26 -5.08 116.55 109.32 1sji n ASP 101 Ca 0.00 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 1sji n ASP 101 Cb 0.09 -3.06 -0.05 0.00 -0.02 0.00 0.00 41.12 38.07 1sji n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sji s ARG 102 N -2.40 1.66 -0.24 -1.24 1.70 -1.26 -5.18 118.95 112.00 1sji s ARG 102 Ca 0.31 -1.53 -0.04 0.00 -0.47 0.00 0.00 55.73 54.00 1sji s ARG 102 Cb -0.05 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1sji s ARG 102 CO 0.79 -0.68 0.11 0.99 -1.08 0.00 0.00 175.30 175.43 1sji s THR 103 N -3.60 -0.01 0.04 4.99 2.01 -1.26 -2.25 115.64 115.57 1sji s THR 103 Ca 0.28 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1sji s THR 103 Cb 0.01 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1sji s THR 103 CO 0.14 -0.52 0.92 -0.63 -0.69 0.00 0.00 174.62 173.85 1sji s ILE 104 N 2.09 4.72 -2.00 1.82 1.09 -0.78 -4.86 121.20 123.28 1sji s ILE 104 Ca 0.06 1.95 0.25 0.00 -1.10 0.00 0.00 60.65 61.81 1sji s ILE 104 Cb -0.16 -4.27 0.72 0.00 -1.06 0.00 0.00 42.46 37.69 1sji s ILE 104 CO -0.23 0.26 1.93 -1.84 -0.10 0.00 0.00 174.94 174.95 1sji n GLU 105 N 3.31 0.92 -0.69 2.79 -0.00 -1.26 -1.57 120.64 124.14 1sji n GLU 105 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1sji n GLU 105 Cb 0.50 -1.43 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 1sji n GLU 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1sji n PHE 106 N -0.93 0.00 -2.30 -1.84 -0.00 -1.23 -4.57 117.46 106.60 1sji n PHE 106 Ca 0.19 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.39 1sji n PHE 106 Cb 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 39.48 39.64 1sji n PHE 106 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1sji s ASP 107 N 0.00 4.74 0.00 -2.13 1.11 -1.26 -4.50 116.67 114.62 1sji s ASP 107 Ca 0.00 0.28 0.00 0.00 0.18 0.00 0.00 52.55 53.01 1sji s ASP 107 Cb 0.00 -0.91 0.00 0.00 1.07 0.00 0.00 42.92 43.08 1sji s ASP 107 CO 0.00 -1.62 0.00 0.61 1.18 0.00 0.00 175.17 175.34 1sji n GLY 108 N -2.87 2.61 3.61 0.21 0.00 -1.23 -4.26 105.19 103.26 1sji n GLY 108 Ca 0.09 -1.68 -0.50 0.00 0.00 0.00 0.00 46.02 43.94 1sji n GLY 108 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sji n GLU 109 N 1.08 1.44 -2.77 1.61 2.13 -0.96 -4.84 120.64 118.35 1sji n GLU 109 Ca 0.00 0.52 -0.43 0.00 0.66 0.00 0.00 57.16 57.91 1sji n GLU 109 Cb 0.00 -2.17 -0.02 0.00 0.27 0.00 0.00 31.44 29.53 1sji n GLU 109 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1sji s PHE 110 N 0.42 2.97 -0.09 4.31 5.36 -1.26 -4.62 117.98 125.07 1sji s PHE 110 Ca 0.80 -1.42 -0.08 0.00 -0.96 0.00 0.00 56.93 55.26 1sji s PHE 110 Cb -0.85 -4.49 0.02 0.00 -0.34 0.00 0.00 43.02 37.36 1sji s PHE 110 CO 0.46 -1.65 0.24 0.00 -1.46 0.00 0.00 175.22 172.80 1sji s ALA 111 N 3.38 -0.59 0.57 11.12 0.00 -1.26 -5.03 121.76 129.96 1sji s ALA 111 Ca 0.42 0.69 0.27 0.00 0.00 0.00 0.00 51.96 53.34 1sji s ALA 111 Cb -0.02 -0.40 1.58 0.00 0.00 0.00 0.00 23.12 24.28 1sji s ALA 111 CO -0.05 -0.12 2.09 0.00 0.00 0.00 0.00 175.76 177.68 1sji h ALA 112 N 5.85 1.94 0.07 0.00 0.00 -1.88 -1.80 119.26 123.43 1sji h ALA 112 Ca -0.26 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 1sji h ALA 112 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1sji h ALA 112 CO 0.36 -0.32 -1.25 0.38 0.00 0.00 0.00 179.25 178.42 1sji h ASP 113 N 0.00 0.25 0.61 0.00 3.04 -1.97 -2.28 116.42 116.07 1sji h ASP 113 Ca 0.10 -0.29 -0.03 0.00 -3.24 0.00 0.00 57.03 53.58 1sji h ASP 113 Cb 0.52 -0.08 0.01 0.00 -1.04 0.00 0.00 39.33 38.74 1sji h ASP 113 CO -0.00 1.23 -0.29 0.58 -2.04 0.00 0.00 179.24 178.72 1sji h VAL 114 N 0.04 0.00 -0.76 4.15 2.07 -1.67 -2.51 116.25 117.58 1sji h VAL 114 Ca -0.12 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1sji h VAL 114 Cb 1.92 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 1sji h VAL 114 CO 0.16 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.88 1sji h LEU 115 N -1.09 0.04 -0.63 2.57 -0.00 -1.47 0.25 115.31 114.97 1sji h LEU 115 Ca -0.08 0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1sji h LEU 115 Cb 0.63 0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 1sji h LEU 115 CO 0.14 -0.04 0.24 0.58 -0.00 0.00 0.00 178.44 179.36 1sji h VAL 116 N 0.28 1.24 -0.66 1.22 2.07 -1.42 0.27 116.25 119.25 1sji h VAL 116 Ca 0.43 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1sji h VAL 116 Cb 0.75 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1sji h VAL 116 CO -0.52 0.29 0.10 -0.33 0.02 0.00 0.00 177.57 177.14 1sji h GLU 117 N 0.89 1.09 0.40 1.57 5.08 -0.70 0.51 114.58 123.42 1sji h GLU 117 Ca 0.21 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1sji h GLU 117 Cb 0.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sji h GLU 117 CO -0.02 1.00 -0.30 0.35 -1.00 0.00 0.00 179.01 179.04 1sji h PHE 118 N 1.02 -0.79 -0.32 4.33 3.57 0.64 -2.38 116.94 123.01 1sji h PHE 118 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1sji h PHE 118 Cb 0.44 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1sji h PHE 118 CO 0.03 -0.44 0.17 -0.07 -2.23 0.00 0.00 178.31 175.77 1sji h LEU 119 N -0.69 0.40 0.00 0.59 3.38 -0.47 -0.62 115.31 117.90 1sji h LEU 119 Ca -0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1sji h LEU 119 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sji h LEU 119 CO 0.00 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.09 1sji n LEU 120 N -4.79 0.00 -0.07 1.67 4.32 0.16 -1.72 117.00 116.57 1sji n LEU 120 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.88 1sji n LEU 120 Cb 0.08 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.81 1sji n LEU 120 CO 0.35 0.00 -0.98 0.47 -1.22 0.00 0.00 177.39 176.01 1sji n ASP 121 N -0.57 2.66 0.03 -1.43 8.00 -0.28 -4.43 116.55 120.53 1sji n ASP 121 Ca 0.01 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 1sji n ASP 121 Cb 0.01 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1sji n ASP 121 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sji h LEU 122 N 0.00 0.01 -0.90 0.64 -0.00 -0.93 -3.10 115.31 111.02 1sji h LEU 122 Ca -0.34 -0.06 0.24 0.00 -0.00 0.00 0.00 57.88 57.72 1sji h LEU 122 Cb 1.57 -0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.07 1sji h LEU 122 CO -0.04 0.06 0.10 0.40 -0.00 0.00 0.00 178.44 178.96 1sji h ILE 123 N -0.05 0.18 -3.55 1.22 1.08 -1.58 -3.41 117.51 111.40 1sji h ILE 123 Ca 0.00 -0.03 -0.45 0.00 -0.39 0.00 0.00 64.86 64.00 1sji h ILE 123 Cb 0.06 0.08 0.19 0.00 -3.07 0.00 0.00 36.82 34.08 1sji h ILE 123 CO -0.00 0.02 0.09 -1.61 -0.69 0.00 0.00 178.15 175.96 1sji s GLU 124 N -6.00 -0.32 0.69 2.37 0.41 -1.17 -5.01 118.70 109.67 1sji s GLU 124 Ca -0.13 0.70 -0.11 0.00 -0.41 0.00 0.00 54.97 55.02 1sji s GLU 124 Cb 0.27 -1.63 0.01 0.00 -1.78 0.00 0.00 34.13 30.99 1sji s GLU 124 CO 0.77 -3.29 1.06 -0.51 -0.49 0.00 0.00 175.26 172.81 1sji s ASP 125 N -2.94 5.50 0.21 -0.19 -0.00 -1.26 -4.99 116.67 112.99 1sji s ASP 125 Ca 0.67 1.42 -0.08 0.00 -0.00 0.00 0.00 52.55 54.55 1sji s ASP 125 Cb -0.22 -2.31 0.14 0.00 -0.00 0.00 0.00 42.92 40.53 1sji s ASP 125 CO 0.61 -1.34 1.75 1.55 -0.00 0.00 0.00 175.17 177.74 1sji h PRO 126 N -0.65 1.17 -5.06 8.23 0.13 -1.91 -3.43 132.00 130.48 1sji h PRO 126 Ca -0.45 -0.24 -0.65 0.00 -0.87 0.00 0.00 66.00 63.79 1sji h PRO 126 Cb 1.22 -0.17 -0.24 0.00 0.13 0.00 0.00 31.00 31.94 1sji h PRO 126 CO 0.60 0.98 -0.66 0.08 -0.23 0.00 0.00 178.00 178.77 1sji s VAL 127 N -5.45 3.93 -0.30 1.56 1.01 -1.26 -4.25 120.40 115.64 1sji s VAL 127 Ca -0.12 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 1sji s VAL 127 Cb 0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1sji s VAL 127 CO 0.84 0.41 0.73 -1.61 0.00 0.00 0.00 175.10 175.47 1sji s GLU 128 N 1.22 3.96 -0.04 2.72 2.02 -0.80 -4.88 118.70 122.90 1sji s GLU 128 Ca 0.03 0.50 -0.14 0.00 0.02 0.00 0.00 54.97 55.38 1sji s GLU 128 Cb -0.15 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 1sji s GLU 128 CO 0.01 -0.62 0.37 0.42 0.02 0.00 0.00 175.26 175.46 1sji s ILE 129 N 2.80 5.12 -0.09 -1.63 1.01 -1.26 -1.64 121.20 125.51 1sji s ILE 129 Ca 0.30 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 1sji s ILE 129 Cb -0.15 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1sji s ILE 129 CO 0.12 0.55 0.03 -0.63 0.00 0.00 0.00 174.94 175.01 1sji s ILE 130 N -0.84 4.56 0.00 2.92 1.01 0.44 -4.91 121.20 124.38 1sji s ILE 130 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1sji s ILE 130 Cb -0.16 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1sji s ILE 130 CO 0.11 0.61 0.00 0.59 0.00 0.00 0.00 174.94 176.25 1sji n ASN 131 N 2.13 0.54 -3.66 3.58 3.02 -1.26 -4.21 115.26 115.40 1sji n ASN 131 Ca -0.19 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.24 1sji n ASN 131 Cb 0.54 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1sji n ASN 131 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1sji n SER 132 N -1.72 1.50 0.00 6.41 3.41 -1.26 -4.80 113.62 117.15 1sji n SER 132 Ca 0.00 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.53 1sji n SER 132 Cb 0.07 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 1sji n SER 132 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sji h LYS 133 N 0.00 -0.06 0.00 4.33 3.64 -2.01 0.29 116.57 122.76 1sji h LYS 133 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1sji h LYS 133 Cb 0.72 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1sji h LYS 133 CO 0.25 0.47 0.00 -0.07 -2.27 0.00 0.00 179.45 177.83 1sji h LEU 134 N -0.63 0.00 0.17 5.20 3.38 -1.97 0.09 115.31 121.54 1sji h LEU 134 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sji h LEU 134 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1sji h LEU 134 CO 0.01 0.00 -0.08 -0.33 0.09 0.00 0.00 178.44 178.13 1sji h GLU 135 N 0.00 -0.22 -0.51 1.13 5.08 -1.95 -1.01 114.58 117.11 1sji h GLU 135 Ca 0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1sji h GLU 135 Cb 0.48 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1sji h GLU 135 CO 0.00 -0.12 0.35 -0.24 -1.00 0.00 0.00 179.01 178.00 1sji h VAL 136 N -1.06 0.87 0.16 3.13 3.04 -0.83 -0.58 116.25 120.98 1sji h VAL 136 Ca -0.02 -0.09 -0.29 0.00 -1.01 0.00 0.00 66.70 65.29 1sji h VAL 136 Cb 0.20 0.58 0.03 0.00 -2.01 0.00 0.00 31.29 30.09 1sji h VAL 136 CO 0.04 0.05 -1.24 1.56 -1.01 0.00 0.00 177.57 176.97 1sji h GLN 137 N 0.26 0.56 0.00 4.17 4.20 -1.06 -0.67 115.11 122.57 1sji h GLN 137 Ca 0.24 -0.81 -0.03 0.00 0.06 0.00 0.00 58.65 58.10 1sji h GLN 137 Cb 0.60 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1sji h GLN 137 CO -0.05 1.37 -0.16 0.00 -0.67 0.00 0.00 178.83 179.33 1sji h ALA 138 N 0.22 1.09 0.04 3.87 0.00 0.02 -0.69 119.26 123.81 1sji h ALA 138 Ca -0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sji h ALA 138 Cb 1.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1sji h ALA 138 CO 0.24 0.20 -0.02 0.35 0.00 0.00 0.00 179.25 180.01 1sji h PHE 139 N 0.00 -0.05 0.00 0.00 3.57 -1.14 -3.25 116.94 116.07 1sji h PHE 139 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sji h PHE 139 Cb 0.57 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1sji h PHE 139 CO 0.00 0.57 0.07 0.93 -2.23 0.00 0.00 178.31 177.66 1sji h GLU 140 N -0.77 0.00 0.30 1.11 5.08 -0.75 -2.68 114.58 116.86 1sji h GLU 140 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1sji h GLU 140 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1sji h GLU 140 CO 0.01 0.00 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.79 1sji h ARG 141 N 0.00 -0.38 -6.33 2.33 2.43 -1.17 -3.46 114.38 107.80 1sji h ARG 141 Ca 0.00 0.03 -0.64 0.00 -0.81 0.00 0.00 59.98 58.56 1sji h ARG 141 Cb 0.14 0.09 0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1sji h ARG 141 CO 0.00 -0.05 0.81 -0.89 -1.51 0.00 0.00 179.97 178.33 1sji n ILE 142 N -5.10 0.20 0.00 1.20 5.41 -1.01 -4.87 119.36 115.19 1sji n ILE 142 Ca -0.09 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1sji n ILE 142 Cb 0.27 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 1sji n ILE 142 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1sji n GLU 143 N 4.38 3.27 -0.37 0.38 0.28 -1.26 -4.83 120.64 122.50 1sji n GLU 143 Ca 0.20 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.28 1sji n GLU 143 Cb 0.24 -0.50 0.23 0.00 1.43 0.00 0.00 31.44 32.84 1sji n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1sji n ASP 144 N -0.65 3.59 -4.12 -1.84 5.68 -1.26 -1.06 116.55 116.89 1sji n ASP 144 Ca 0.00 -2.82 -0.17 0.00 -0.50 0.00 0.00 54.79 51.30 1sji n ASP 144 Cb 0.00 -0.47 -0.12 0.00 -1.14 0.00 0.00 41.12 39.39 1sji n ASP 144 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1sji s GLN 145 N -2.47 0.73 0.55 0.11 -0.21 -1.26 -4.73 119.66 112.37 1sji s GLN 145 Ca 0.37 -0.81 -0.19 0.00 0.02 0.00 0.00 55.36 54.75 1sji s GLN 145 Cb 0.29 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.59 1sji s GLN 145 CO 0.10 0.15 1.12 0.42 -2.12 0.00 0.00 175.29 174.95 1sji s ILE 146 N -1.16 3.20 -0.29 1.08 1.01 -1.26 -4.43 121.20 119.35 1sji s ILE 146 Ca -0.04 0.73 -0.13 0.00 0.00 0.00 0.00 60.65 61.21 1sji s ILE 146 Cb -0.09 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.20 1sji s ILE 146 CO 0.01 -0.18 0.67 -1.59 0.00 0.00 0.00 174.94 173.85 1sji s LYS 147 N -3.37 0.65 -0.13 2.79 -2.85 -1.10 -2.81 119.74 112.91 1sji s LYS 147 Ca 0.72 1.32 -0.02 0.00 -1.00 0.00 0.00 55.97 56.99 1sji s LYS 147 Cb -0.23 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 1sji s LYS 147 CO 0.28 -0.17 -0.07 -0.51 0.10 0.00 0.00 175.35 174.98 1sji s LEU 148 N 2.16 3.07 0.01 2.77 1.02 -0.06 -1.05 118.68 126.60 1sji s LEU 148 Ca -0.08 -0.17 0.06 0.00 0.02 0.00 0.00 54.13 53.96 1sji s LEU 148 Cb -0.08 -1.71 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1sji s LEU 148 CO -0.19 0.20 -0.19 -0.51 0.02 0.00 0.00 176.35 175.67 1sji s ILE 149 N 0.16 1.55 0.00 -0.59 2.07 -0.77 -1.55 121.20 122.07 1sji s ILE 149 Ca -0.04 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.24 1sji s ILE 149 Cb -0.14 -1.32 -0.00 0.00 0.13 0.00 0.00 42.46 41.13 1sji s ILE 149 CO 0.04 0.32 -0.03 -0.83 -1.91 0.00 0.00 174.94 172.52 1sji s GLY 150 N -0.76 0.18 -0.15 1.50 0.00 -0.50 -1.11 107.32 106.48 1sji s GLY 150 Ca 0.07 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.42 1sji s GLY 150 CO 0.00 -0.18 0.46 -0.12 0.00 0.00 0.00 173.10 173.26 1sji s PHE 151 N -0.22 3.46 0.27 1.90 5.36 -0.96 -2.51 117.98 125.29 1sji s PHE 151 Ca -0.00 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1sji s PHE 151 Cb -0.02 -2.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1sji s PHE 151 CO -0.00 0.10 0.10 1.19 -1.46 0.00 0.00 175.22 175.14 1sji n PHE 152 N 3.99 0.09 -0.08 10.12 3.72 -0.74 -1.53 117.46 133.03 1sji n PHE 152 Ca -0.07 -1.76 -0.16 0.00 -0.05 0.00 0.00 57.45 55.41 1sji n PHE 152 Cb 0.51 -0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 1sji n PHE 152 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1sji h LYS 153 N 0.00 0.00 -3.75 -1.08 1.63 -1.89 -3.41 116.57 108.07 1sji h LYS 153 Ca -0.21 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.50 1sji h LYS 153 Cb 0.82 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.35 1sji h LYS 153 CO 0.34 0.93 -0.15 -1.54 -3.45 0.00 0.00 179.45 175.58 1sji s SER 154 N -6.37 0.01 0.61 4.20 1.04 -1.26 -4.91 113.70 107.02 1sji s SER 154 Ca -0.21 -1.02 0.36 0.00 0.48 0.00 0.00 55.95 55.56 1sji s SER 154 Cb -0.00 0.58 1.97 0.00 0.10 0.00 0.00 66.02 68.67 1sji s SER 154 CO 0.62 -1.14 2.25 -0.33 0.98 0.00 0.00 173.24 175.61 1sji h GLU 155 N 2.27 0.00 -0.59 4.02 5.08 -1.99 0.48 114.58 123.85 1sji h GLU 155 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1sji h GLU 155 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sji h GLU 155 CO 0.37 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 1sji n GLU 156 N -3.41 2.53 -1.78 2.33 4.71 -1.26 -4.71 120.64 119.04 1sji n GLU 156 Ca -0.02 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.16 54.35 1sji n GLU 156 Cb 0.13 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.01 1sji n GLU 156 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1sji s SER 157 N -1.14 6.47 0.58 1.62 0.15 0.16 -4.85 113.70 116.68 1sji s SER 157 Ca 0.43 2.71 0.30 0.00 0.70 0.00 0.00 55.95 60.09 1sji s SER 157 Cb 0.23 -2.57 1.77 0.00 -1.71 0.00 0.00 66.02 63.74 1sji s SER 157 CO 0.31 -0.96 2.21 1.05 1.20 0.00 0.00 173.24 177.06 1sji h GLU 158 N 8.05 0.00 0.00 5.44 4.11 -1.91 0.12 114.58 130.39 1sji h GLU 158 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1sji h GLU 158 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sji h GLU 158 CO 0.94 0.03 -0.93 1.88 0.07 0.00 0.00 179.01 181.01 1sji h TYR 159 N 0.00 0.00 0.06 2.06 -1.99 -1.91 -2.96 116.97 112.23 1sji h TYR 159 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sji h TYR 159 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1sji h TYR 159 CO 0.00 0.00 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.21 1sji h TYR 160 N 0.00 -0.08 -0.24 4.88 3.20 -1.64 -2.79 116.97 120.30 1sji h TYR 160 Ca 0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1sji h TYR 160 Cb 0.99 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1sji h TYR 160 CO 0.00 0.46 0.27 0.87 -1.64 0.00 0.00 178.16 178.12 1sji h LYS 161 N -0.68 0.00 -0.22 1.82 1.57 -0.83 0.19 116.57 118.42 1sji h LYS 161 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 1sji h LYS 161 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1sji h LYS 161 CO 0.01 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.29 1sji h ALA 162 N 1.70 0.51 -0.13 3.86 0.00 -1.44 -3.04 119.26 120.71 1sji h ALA 162 Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sji h ALA 162 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sji h ALA 162 CO -0.00 0.69 0.07 0.35 0.00 0.00 0.00 179.25 180.36 1sji h PHE 163 N 0.56 0.18 0.00 0.00 3.57 -0.40 -1.31 116.94 119.54 1sji h PHE 163 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1sji h PHE 163 Cb 1.20 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1sji h PHE 163 CO 0.07 0.19 -0.08 1.49 -2.23 0.00 0.00 178.31 177.75 1sji h GLU 164 N 0.12 0.00 0.00 1.11 4.81 -1.27 -2.30 114.58 117.05 1sji h GLU 164 Ca 0.05 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1sji h GLU 164 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1sji h GLU 164 CO -0.01 0.08 -0.74 1.49 -0.73 0.00 0.00 179.01 179.11 1sji h GLU 165 N 0.00 0.00 -0.02 1.92 4.22 -1.31 -2.80 114.58 116.59 1sji h GLU 165 Ca -0.00 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.26 1sji h GLU 165 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1sji h GLU 165 CO 0.01 0.72 -0.79 0.00 -2.18 0.00 0.00 179.01 176.78 1sji h ALA 166 N 1.27 0.63 -0.89 2.92 0.00 -0.96 -3.32 119.26 118.90 1sji h ALA 166 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sji h ALA 166 Cb 1.56 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1sji h ALA 166 CO 0.09 0.86 0.58 0.00 0.00 0.00 0.00 179.25 180.78 1sji h ALA 167 N 1.05 1.13 -0.76 0.00 0.00 -1.19 -2.41 119.26 117.08 1sji h ALA 167 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sji h ALA 167 Cb 1.38 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1sji h ALA 167 CO 0.12 0.55 0.50 0.93 0.00 0.00 0.00 179.25 181.35 1sji h GLU 168 N 1.21 0.99 0.00 0.00 5.08 -1.60 -2.14 114.58 118.13 1sji h GLU 168 Ca 0.32 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1sji h GLU 168 Cb -0.11 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.91 1sji h GLU 168 CO -0.07 0.66 0.00 0.72 -1.00 0.00 0.00 179.01 179.32 1sji n HIS 169 N -4.42 0.60 0.00 4.33 8.25 -0.91 -3.22 115.22 119.84 1sji n HIS 169 Ca 0.08 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1sji n HIS 169 Cb 0.03 -0.91 -0.00 0.00 1.12 0.00 0.00 29.99 30.24 1sji n HIS 169 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sji n PHE 170 N -2.06 0.00 -1.44 4.41 3.72 -0.84 -5.08 117.46 116.17 1sji n PHE 170 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 1sji n PHE 170 Cb 0.17 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.76 1sji n PHE 170 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sji n GLN 171 N -0.47 0.54 0.15 -1.08 6.02 -1.00 -2.89 117.38 118.65 1sji n GLN 171 Ca 0.00 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.28 1sji n GLN 171 Cb 0.00 -1.91 0.06 0.00 1.02 0.00 0.00 30.24 29.40 1sji n GLN 171 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1sji h PRO 172 N 0.07 0.00 -0.81 -1.09 0.13 -1.93 -3.46 132.00 124.92 1sji h PRO 172 Ca -0.47 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.99 1sji h PRO 172 Cb 1.37 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.35 1sji h PRO 172 CO 0.47 0.21 0.38 0.66 -0.23 0.00 0.00 178.00 179.48 1sji n TYR 173 N -3.03 0.88 -4.26 1.56 4.01 -1.20 -4.56 117.16 110.57 1sji n TYR 173 Ca 0.01 0.95 -0.29 0.00 -0.16 0.00 0.00 57.90 58.41 1sji n TYR 173 Cb 0.64 -1.33 -0.10 0.00 -0.31 0.00 0.00 39.34 38.24 1sji n TYR 173 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1sji s ILE 174 N -5.30 3.21 -0.29 -0.72 1.01 -1.14 -4.75 121.20 113.22 1sji s ILE 174 Ca -0.08 -1.42 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 1sji s ILE 174 Cb 0.27 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 1sji s ILE 174 CO 0.63 0.05 0.09 -0.54 0.00 0.00 0.00 174.94 175.18 1sji s LYS 175 N -2.35 3.30 -0.08 2.79 -0.14 -1.12 -4.59 119.74 117.55 1sji s LYS 175 Ca 0.21 -0.72 -0.02 0.00 -1.36 0.00 0.00 55.97 54.08 1sji s LYS 175 Cb -0.10 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.61 1sji s LYS 175 CO 0.13 -0.37 0.01 -0.06 -0.76 0.00 0.00 175.35 174.30 1sji s PHE 176 N 1.56 3.18 0.04 3.18 0.40 -1.26 -0.88 117.98 124.20 1sji s PHE 176 Ca 0.04 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 1sji s PHE 176 Cb -0.17 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1sji s PHE 176 CO 0.04 0.49 -0.08 -0.06 0.70 0.00 0.00 175.22 176.30 1sji s PHE 177 N -0.90 0.71 0.34 0.36 0.40 -0.59 -1.90 117.98 116.39 1sji s PHE 177 Ca 0.14 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1sji s PHE 177 Cb -0.11 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1sji s PHE 177 CO 0.03 -0.07 0.20 0.00 0.70 0.00 0.00 175.22 176.08 1sji s ALA 178 N -1.30 2.17 -0.00 5.36 0.00 -0.65 -1.40 121.76 125.93 1sji s ALA 178 Ca -0.09 -1.72 -0.23 0.00 0.00 0.00 0.00 51.96 49.92 1sji s ALA 178 Cb -0.10 1.18 0.05 0.00 0.00 0.00 0.00 23.12 24.25 1sji s ALA 178 CO 0.01 -0.52 0.51 -0.08 0.00 0.00 0.00 175.76 175.68 1sji s THR 179 N -3.46 0.03 -0.00 0.00 -1.32 -1.05 -0.42 115.64 109.42 1sji s THR 179 Ca 0.34 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1sji s THR 179 Cb 0.03 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1sji s THR 179 CO 0.20 -0.13 0.06 0.49 -2.21 0.00 0.00 174.62 173.03 1sji n PHE 180 N 0.80 0.00 -1.90 9.09 3.72 -1.26 -1.80 117.46 126.11 1sji n PHE 180 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 1sji n PHE 180 Cb 0.58 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 1sji n PHE 180 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1sji s ASP 181 N -2.35 6.54 0.20 4.37 -1.08 -1.26 -4.87 116.67 118.22 1sji s ASP 181 Ca -0.01 2.69 -0.06 0.00 -0.52 0.00 0.00 52.55 54.65 1sji s ASP 181 Cb 0.02 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 39.00 1sji s ASP 181 CO 0.11 -0.84 1.61 0.11 0.52 0.00 0.00 175.17 176.68 1sji h LYS 182 N 6.39 0.86 -0.36 4.34 1.57 -1.96 -3.22 116.57 124.21 1sji h LYS 182 Ca -0.43 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 57.95 1sji h LYS 182 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1sji h LYS 182 CO 0.89 0.99 0.06 0.78 -0.57 0.00 0.00 179.45 181.60 1sji h GLY 183 N 0.94 0.63 0.44 3.86 0.00 -1.97 -2.11 103.07 104.86 1sji h GLY 183 Ca 0.10 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.10 1sji h GLY 183 CO 0.06 0.39 0.23 -2.08 0.00 0.00 0.00 176.54 175.14 1sji h VAL 184 N 0.43 0.80 0.00 4.60 2.07 -1.87 -1.72 116.25 120.55 1sji h VAL 184 Ca 0.11 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1sji h VAL 184 Cb 0.36 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1sji h VAL 184 CO 0.01 0.08 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 1sji h ALA 185 N 1.39 1.01 -0.02 1.67 0.00 -1.52 -0.47 119.26 121.32 1sji h ALA 185 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sji h ALA 185 Cb 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sji h ALA 185 CO -0.28 0.08 -0.02 -0.22 0.00 0.00 0.00 179.25 178.81 1sji h LYS 186 N 0.00 0.05 0.20 0.00 3.64 -0.65 0.41 116.57 120.23 1sji h LYS 186 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1sji h LYS 186 Cb 0.61 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1sji h LYS 186 CO 0.01 0.49 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.32 1sji h LYS 187 N -0.39 -0.32 0.00 1.90 3.64 -1.11 -2.80 116.57 117.50 1sji h LYS 187 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sji h LYS 187 Cb 0.48 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1sji h LYS 187 CO 0.00 -0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.25 1sji n LEU 188 N -5.25 0.00 -3.79 5.20 4.77 -0.21 -4.92 117.00 112.80 1sji n LEU 188 Ca -0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1sji n LEU 188 Cb 0.17 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1sji n LEU 188 CO 0.33 0.00 0.14 -1.20 -1.33 0.00 0.00 177.39 175.33 1sji n SER 189 N -0.85 -4.89 -4.81 -1.43 7.64 -0.67 -5.00 113.62 103.61 1sji n SER 189 Ca 0.17 -0.70 -0.33 0.00 1.01 0.00 0.00 58.87 59.01 1sji n SER 189 Cb 0.08 -4.29 -0.07 0.00 -1.01 0.00 0.00 64.21 58.92 1sji n SER 189 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sji s LEU 190 N -7.21 3.99 0.00 -3.43 1.43 0.05 -5.03 118.68 108.47 1sji s LEU 190 Ca 0.56 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1sji s LEU 190 Cb -0.27 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.74 1sji s LEU 190 CO 0.80 0.27 0.93 0.29 0.23 0.00 0.00 176.35 178.86 1sji n LYS 191 N 1.12 0.02 -2.07 1.70 5.02 -1.26 -4.55 118.16 118.14 1sji n LYS 191 Ca -0.12 -2.66 -0.42 0.00 -2.02 0.00 0.00 58.31 53.09 1sji n LYS 191 Cb 0.53 -0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 1sji n LYS 191 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1sji s MET 192 N -4.92 4.28 0.00 1.97 -2.45 -1.26 -3.42 119.30 113.50 1sji s MET 192 Ca 0.63 2.20 0.00 0.00 -1.25 0.00 0.00 55.69 57.26 1sji s MET 192 Cb -0.04 -3.20 0.00 0.00 1.25 0.00 0.00 34.83 32.85 1sji s MET 192 CO 0.41 -0.48 0.00 0.09 1.05 0.00 0.00 175.02 176.09 1sji n ASN 193 N 3.70 -4.04 -4.80 1.11 3.02 -0.58 -4.90 115.26 108.77 1sji n ASN 193 Ca 0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 1sji n ASN 193 Cb 0.41 -3.13 -0.06 0.00 -0.61 0.00 0.00 39.78 36.38 1sji n ASN 193 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sji s GLU 194 N -1.65 4.36 -0.06 3.52 2.12 -1.22 -4.43 118.70 121.35 1sji s GLU 194 Ca 0.00 1.08 0.04 0.00 0.36 0.00 0.00 54.97 56.44 1sji s GLU 194 Cb 0.00 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1sji s GLU 194 CO 0.00 0.26 -0.16 0.08 -0.54 0.00 0.00 175.26 174.90 1sji s VAL 195 N -1.70 1.39 -0.15 3.70 1.01 -1.26 -2.26 120.40 121.13 1sji s VAL 195 Ca 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1sji s VAL 195 Cb -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1sji s VAL 195 CO 0.21 0.41 0.02 -1.81 0.00 0.00 0.00 175.10 173.92 1sji s ASP 196 N 0.28 5.28 -0.41 3.32 -0.00 -0.27 -2.03 116.67 122.85 1sji s ASP 196 Ca -0.09 0.03 -0.15 0.00 -0.00 0.00 0.00 52.55 52.34 1sji s ASP 196 Cb -0.14 -1.82 0.02 0.00 -0.00 0.00 0.00 42.92 40.99 1sji s ASP 196 CO 0.03 0.22 0.30 0.12 -0.00 0.00 0.00 175.17 175.84 1sji s PHE 197 N 0.10 3.24 -0.51 4.23 2.19 0.24 -1.85 117.98 125.63 1sji s PHE 197 Ca 0.03 -0.62 -0.18 0.00 0.33 0.00 0.00 56.93 56.49 1sji s PHE 197 Cb -0.13 -2.59 0.07 0.00 -1.31 0.00 0.00 43.02 39.06 1sji s PHE 197 CO 0.02 -0.60 0.59 0.71 1.83 0.00 0.00 175.22 177.77 1sji s TYR 198 N 1.67 3.08 0.28 10.12 1.51 -0.22 -1.83 117.35 131.97 1sji s TYR 198 Ca 0.05 -0.69 -0.29 0.00 -1.01 0.00 0.00 57.07 55.12 1sji s TYR 198 Cb -0.19 -3.55 -0.10 0.00 -0.11 0.00 0.00 41.96 38.02 1sji s TYR 198 CO 0.10 -1.03 1.13 -2.00 -1.11 0.00 0.00 175.55 172.64 1sji s GLU 199 N 2.43 4.59 0.31 -0.62 2.12 -1.26 -2.71 118.70 123.56 1sji s GLU 199 Ca 0.12 1.86 -0.29 0.00 0.36 0.00 0.00 54.97 57.02 1sji s GLU 199 Cb -0.21 -3.18 -0.10 0.00 0.26 0.00 0.00 34.13 30.90 1sji s GLU 199 CO 0.10 0.14 1.17 -1.25 -0.54 0.00 0.00 175.26 174.88 1sji s PRO 200 N -1.38 4.51 0.00 4.30 0.04 -1.26 -3.05 135.00 138.15 1sji s PRO 200 Ca 0.46 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1sji s PRO 200 Cb -0.33 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1sji s PRO 200 CO 0.42 0.04 0.00 1.19 0.04 0.00 0.00 177.00 178.70 1sji n PHE 201 N 0.98 0.00 -3.85 0.56 3.72 -0.22 -4.71 117.46 113.93 1sji n PHE 201 Ca -0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1sji n PHE 201 Cb 0.44 -0.88 -0.04 0.00 -0.94 0.00 0.00 39.48 38.05 1sji n PHE 201 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1sji s MET 202 N -0.82 3.49 -0.03 -1.08 -1.94 -1.17 -4.85 119.30 112.91 1sji s MET 202 Ca 0.00 -0.32 -0.17 0.00 -1.71 0.00 0.00 55.69 53.49 1sji s MET 202 Cb 0.00 -3.00 -0.10 0.00 2.01 0.00 0.00 34.83 33.74 1sji s MET 202 CO 0.00 0.58 0.72 0.22 -0.01 0.00 0.00 175.02 176.53 1sji h ASP 203 N 3.13 -0.47 -3.28 3.03 1.82 -1.97 -3.46 116.42 115.22 1sji h ASP 203 Ca -0.46 -0.03 -0.55 0.00 -0.39 0.00 0.00 57.03 55.61 1sji h ASP 203 Cb 1.17 0.12 0.09 0.00 0.68 0.00 0.00 39.33 41.39 1sji h ASP 203 CO 0.74 -0.03 0.77 -0.62 -1.61 0.00 0.00 179.24 178.49 1sji n GLU 204 N -5.15 2.51 -3.31 0.28 1.02 -1.26 -5.04 120.64 109.70 1sji n GLU 204 Ca -0.08 0.89 -0.39 0.00 -0.02 0.00 0.00 57.16 57.57 1sji n GLU 204 Cb 0.24 -2.62 -0.07 0.00 -0.02 0.00 0.00 31.44 28.97 1sji n GLU 204 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1sji s PRO 205 N -0.92 4.21 0.16 3.49 0.04 -1.26 -4.53 135.00 136.18 1sji s PRO 205 Ca 0.62 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1sji s PRO 205 Cb -0.53 -3.53 -0.07 0.00 0.04 0.00 0.00 34.50 30.41 1sji s PRO 205 CO 0.53 -0.05 1.08 -1.50 0.04 0.00 0.00 177.00 177.10 1sji s ILE 206 N 1.33 3.98 -0.10 0.56 2.07 -0.76 -4.69 121.20 123.59 1sji s ILE 206 Ca 0.23 1.69 -0.21 0.00 -1.41 0.00 0.00 60.65 60.94 1sji s ILE 206 Cb -0.15 -4.08 -0.04 0.00 0.13 0.00 0.00 42.46 38.33 1sji s ILE 206 CO 0.09 0.28 0.63 0.00 -1.91 0.00 0.00 174.94 174.03 1sji s ALA 207 N -0.15 3.41 -0.04 1.50 0.00 -1.26 0.82 121.76 126.04 1sji s ALA 207 Ca 0.49 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1sji s ALA 207 Cb -0.28 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1sji s ALA 207 CO 0.34 -0.16 1.49 0.42 0.00 0.00 0.00 175.76 177.85 1sji s ILE 208 N 0.95 3.71 0.52 0.00 1.01 -0.86 -4.94 121.20 121.59 1sji s ILE 208 Ca 0.33 0.98 -0.19 0.00 0.00 0.00 0.00 60.65 61.77 1sji s ILE 208 Cb -0.17 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1sji s ILE 208 CO 0.14 -0.05 1.06 -2.16 0.00 0.00 0.00 174.94 173.94 1sji s PRO 209 N 3.18 3.59 -1.10 2.79 0.04 -1.26 -4.36 135.00 137.88 1sji s PRO 209 Ca 0.66 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1sji s PRO 209 Cb -0.31 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1sji s PRO 209 CO 0.26 -0.61 0.93 -0.25 0.04 0.00 0.00 177.00 177.38 1sji n ASP 210 N -1.28 -3.60 -4.60 6.66 10.43 -1.26 -5.00 116.55 117.90 1sji n ASP 210 Ca 0.10 -0.51 -0.31 0.00 2.57 0.00 0.00 54.79 56.63 1sji n ASP 210 Cb 0.52 -4.48 0.16 0.00 1.84 0.00 0.00 41.12 39.16 1sji n ASP 210 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1sji n LYS 211 N -4.00 -0.45 -1.55 -1.24 2.85 -1.26 -4.68 118.16 107.82 1sji n LYS 211 Ca -0.14 -0.07 -0.32 0.00 -1.05 0.00 0.00 58.31 56.72 1sji n LYS 211 Cb 0.61 -2.23 0.06 0.00 -0.65 0.00 0.00 35.03 32.82 1sji n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1sji s PRO 212 N -4.36 2.63 0.19 -1.58 0.04 -1.26 -5.06 135.00 125.59 1sji s PRO 212 Ca 0.64 1.23 0.08 0.00 0.04 0.00 0.00 61.00 63.00 1sji s PRO 212 Cb -0.22 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1sji s PRO 212 CO 0.61 -1.36 -0.04 0.71 0.04 0.00 0.00 177.00 176.96 1sji s TYR 213 N -2.67 2.75 0.39 0.56 1.51 -1.26 -5.11 117.35 113.51 1sji s TYR 213 Ca 0.63 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 56.44 1sji s TYR 213 Cb -0.18 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1sji s TYR 213 CO 0.49 0.53 0.70 0.99 -1.11 0.00 0.00 175.55 177.14 1sji s THR 214 N -1.78 4.90 0.16 -0.71 2.01 -1.26 -4.83 115.64 114.13 1sji s THR 214 Ca 0.27 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 1sji s THR 214 Cb -0.09 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.73 1sji s THR 214 CO 0.17 -0.55 1.65 -0.08 -0.69 0.00 0.00 174.62 175.13 1sji h GLU 215 N 1.10 -0.08 0.00 4.92 4.81 -1.96 -1.89 114.58 121.47 1sji h GLU 215 Ca -0.47 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1sji h GLU 215 Cb 1.19 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sji h GLU 215 CO 0.64 -0.05 -0.04 0.93 -0.73 0.00 0.00 179.01 179.75 1sji h GLU 216 N -0.08 0.00 0.06 1.92 3.07 -1.94 -0.58 114.58 117.02 1sji h GLU 216 Ca 0.18 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 1sji h GLU 216 Cb 0.36 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1sji h GLU 216 CO -0.42 0.04 -0.46 0.93 -1.40 0.00 0.00 179.01 177.71 1sji h GLU 217 N 0.00 0.20 -0.57 2.33 5.08 -1.75 -2.46 114.58 117.41 1sji h GLU 217 Ca -0.00 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1sji h GLU 217 Cb 0.48 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1sji h GLU 217 CO 0.01 1.10 0.35 -0.07 -1.00 0.00 0.00 179.01 179.39 1sji h LEU 218 N -0.54 0.56 -0.70 1.33 3.38 -1.26 -1.41 115.31 116.67 1sji h LEU 218 Ca -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1sji h LEU 218 Cb 1.31 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1sji h LEU 218 CO 0.09 0.39 0.14 0.58 0.09 0.00 0.00 178.44 179.73 1sji h VAL 219 N 0.68 1.26 -0.07 1.22 2.07 -1.18 -0.76 116.25 119.48 1sji h VAL 219 Ca 0.23 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1sji h VAL 219 Cb 0.02 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1sji h VAL 219 CO -0.10 0.39 0.04 -0.08 0.02 0.00 0.00 177.57 177.83 1sji h GLU 220 N 1.07 0.10 -0.12 1.57 4.81 -1.24 -0.44 114.58 120.34 1sji h GLU 220 Ca 0.22 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1sji h GLU 220 Cb 0.41 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1sji h GLU 220 CO 0.01 0.18 -0.01 0.35 -0.73 0.00 0.00 179.01 178.81 1sji h PHE 221 N 0.00 -0.02 0.00 0.92 3.57 -0.96 -0.56 116.94 119.89 1sji h PHE 221 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1sji h PHE 221 Cb 0.11 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1sji h PHE 221 CO -0.04 -0.02 -0.27 0.28 -2.23 0.00 0.00 178.31 176.04 1sji h VAL 222 N 0.03 1.16 0.00 1.41 2.07 -0.97 0.27 116.25 120.22 1sji h VAL 222 Ca 0.06 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1sji h VAL 222 Cb 0.07 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1sji h VAL 222 CO -0.10 0.26 -0.16 0.11 0.02 0.00 0.00 177.57 177.70 1sji h LYS 223 N 0.00 0.00 0.08 1.57 1.79 -0.13 -2.83 116.57 117.06 1sji h LYS 223 Ca -0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.19 1sji h LYS 223 Cb 0.48 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.16 1sji h LYS 223 CO 0.03 0.16 -1.12 1.49 -1.08 0.00 0.00 179.45 178.93 1sji h GLU 224 N 0.00 0.61 -0.56 3.15 4.57 0.55 -3.35 114.58 119.55 1sji h GLU 224 Ca -0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 1sji h GLU 224 Cb 0.74 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1sji h GLU 224 CO 0.02 1.34 0.00 0.72 -1.18 0.00 0.00 179.01 179.91 1sji n HIS 225 N -3.86 1.91 0.96 0.92 8.25 -0.65 -4.69 115.22 118.06 1sji n HIS 225 Ca -0.13 -0.72 0.14 0.00 -0.26 0.00 0.00 57.72 56.74 1sji n HIS 225 Cb 0.93 -0.46 0.60 0.00 1.12 0.00 0.00 29.99 32.18 1sji n HIS 225 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1sji n GLN 226 N 0.61 0.01 -3.93 -0.41 7.27 -1.07 -4.52 117.38 115.34 1sji n GLN 226 Ca 0.27 0.02 -0.33 0.00 0.07 0.00 0.00 57.00 57.03 1sji n GLN 226 Cb 1.13 -1.51 -0.14 0.00 2.41 0.00 0.00 30.24 32.13 1sji n GLN 226 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1sji s ARG 227 N -3.00 1.70 0.59 3.69 3.52 -1.26 -5.10 118.95 119.09 1sji s ARG 227 Ca 0.14 -1.91 -0.16 0.00 -0.13 0.00 0.00 55.73 53.66 1sji s ARG 227 Cb 0.18 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1sji s ARG 227 CO 0.52 -1.00 1.08 -2.14 -0.81 0.00 0.00 175.30 172.95 1sji s PRO 228 N 0.90 3.24 0.22 5.12 0.02 -1.26 -4.98 135.00 138.25 1sji s PRO 228 Ca 0.11 1.32 -0.07 0.00 0.02 0.00 0.00 61.00 62.37 1sji s PRO 228 Cb -0.21 -2.01 0.17 0.00 0.02 0.00 0.00 34.50 32.47 1sji s PRO 228 CO -0.06 -0.89 1.77 1.15 -0.33 0.00 0.00 177.00 178.64 1sji h THR 229 N 0.55 1.26 -3.95 0.99 2.02 -1.88 -3.39 112.91 108.51 1sji h THR 229 Ca -0.47 -0.85 -0.60 0.00 0.77 0.00 0.00 66.41 65.25 1sji h THR 229 Cb 1.23 0.36 -0.31 0.00 -1.74 0.00 0.00 68.15 67.69 1sji h THR 229 CO 0.57 0.34 -0.85 -0.22 0.37 0.00 0.00 175.52 175.73 1sji s LEU 230 N -9.66 1.97 0.01 2.58 2.96 -1.26 0.92 118.68 116.19 1sji s LEU 230 Ca -0.12 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1sji s LEU 230 Cb 0.16 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 1sji s LEU 230 CO 0.84 0.19 -0.03 0.00 -1.32 0.00 0.00 176.35 176.03 1sji s ARG 231 N -0.04 0.22 0.31 1.98 1.70 0.36 -4.83 118.95 118.64 1sji s ARG 231 Ca -0.03 -0.28 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 1sji s ARG 231 Cb -0.12 -0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.09 1sji s ARG 231 CO 0.03 0.01 1.12 0.50 -1.08 0.00 0.00 175.30 175.88 1sji s ARG 232 N -0.58 4.51 -0.82 3.89 3.00 -1.26 0.10 118.95 127.80 1sji s ARG 232 Ca -0.05 1.81 -0.20 0.00 -1.00 0.00 0.00 55.73 56.29 1sji s ARG 232 Cb -0.04 -3.07 0.10 0.00 0.00 0.00 0.00 34.95 31.95 1sji s ARG 232 CO -0.00 0.09 1.07 -1.17 0.00 0.00 0.00 175.30 175.30 1sji s LEU 233 N -1.69 4.71 0.38 -0.88 2.96 0.11 -4.75 118.68 119.52 1sji s LEU 233 Ca 0.47 -1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 52.56 1sji s LEU 233 Cb -0.31 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 43.86 1sji s LEU 233 CO 0.40 -1.24 0.94 -0.13 -1.32 0.00 0.00 176.35 175.01 1sji s ARG 234 N 3.35 4.38 0.44 1.98 0.52 -1.26 -4.81 118.95 123.55 1sji s ARG 234 Ca 0.29 1.20 0.22 0.00 -0.52 0.00 0.00 55.73 56.92 1sji s ARG 234 Cb -0.10 -2.46 0.98 0.00 0.52 0.00 0.00 34.95 33.89 1sji s ARG 234 CO -0.02 0.11 1.87 -1.35 0.02 0.00 0.00 175.30 175.94 1sji h PRO 235 N 2.48 0.00 -0.65 3.54 0.11 -1.95 -0.24 132.00 135.29 1sji h PRO 235 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1sji h PRO 235 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1sji h PRO 235 CO 0.63 0.26 0.19 0.93 -0.21 0.00 0.00 178.00 179.80 1sji h GLU 236 N 0.00 0.32 0.00 1.05 5.08 -1.94 -2.54 114.58 116.55 1sji h GLU 236 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sji h GLU 236 Cb 0.65 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1sji h GLU 236 CO 0.03 0.21 -0.09 -0.40 -1.00 0.00 0.00 179.01 177.77 1sji n ASP 237 N -5.08 1.48 -0.27 1.42 5.68 -1.22 -3.48 116.55 115.08 1sji n ASP 237 Ca 0.11 -2.26 0.18 0.00 -0.50 0.00 0.00 54.79 52.32 1sji n ASP 237 Cb 0.35 -0.20 0.34 0.00 -1.14 0.00 0.00 41.12 40.47 1sji n ASP 237 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1sji n MET 238 N -0.69 -0.06 0.01 0.11 1.56 -0.11 -0.04 117.12 117.91 1sji n MET 238 Ca 0.06 1.18 -0.11 0.00 -0.27 0.00 0.00 57.70 58.56 1sji n MET 238 Cb 0.51 -1.98 0.02 0.00 2.15 0.00 0.00 33.22 33.92 1sji n MET 238 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1sji h PHE 239 N 0.00 0.74 -0.39 1.12 -1.00 -1.87 -0.43 116.94 115.12 1sji h PHE 239 Ca 0.58 -0.29 -0.06 0.00 2.81 0.00 0.00 57.97 61.00 1sji h PHE 239 Cb 1.36 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.77 1sji h PHE 239 CO -0.25 1.06 0.00 1.49 -1.61 0.00 0.00 178.31 179.00 1sji h GLU 240 N 0.42 0.68 0.00 1.51 4.81 -0.80 -2.41 114.58 118.78 1sji h GLU 240 Ca -0.01 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 1sji h GLU 240 Cb 1.21 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1sji h GLU 240 CO 0.12 0.77 -0.72 1.79 -0.73 0.00 0.00 179.01 180.24 1sji h THR 241 N 0.50 1.43 0.00 0.32 1.35 -1.44 -2.27 112.91 112.80 1sji h THR 241 Ca 0.11 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1sji h THR 241 Cb 0.46 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1sji h THR 241 CO 0.02 0.70 0.00 -0.25 -0.25 0.00 0.00 175.52 175.74 1sji h TRP 242 N 0.00 0.00 0.00 4.73 2.91 -0.66 -2.30 115.95 120.63 1sji h TRP 242 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1sji h TRP 242 Cb 1.35 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 1sji h TRP 242 CO 0.00 0.00 -1.00 -1.91 -1.03 0.00 0.00 178.44 174.50 1sji n GLU 243 N -2.63 0.36 -2.04 2.65 0.00 -0.95 -4.63 120.64 113.40 1sji n GLU 243 Ca 0.01 0.02 -0.38 0.00 0.00 0.00 0.00 57.16 56.82 1sji n GLU 243 Cb 0.26 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 30.03 1sji n GLU 243 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1sji n ASP 244 N -2.13 3.78 -4.74 4.31 4.64 -0.87 -4.87 116.55 116.67 1sji n ASP 244 Ca 0.02 -2.80 -0.41 0.00 -1.38 0.00 0.00 54.79 50.21 1sji n ASP 244 Cb 0.46 -1.63 -0.03 0.00 -1.04 0.00 0.00 41.12 38.89 1sji n ASP 244 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1sji s ASP 245 N 4.89 6.84 0.11 1.67 -0.00 -1.26 -4.93 116.67 123.99 1sji s ASP 245 Ca 0.58 2.46 -0.10 0.00 -0.00 0.00 0.00 52.55 55.49 1sji s ASP 245 Cb 0.06 -2.61 -0.13 0.00 -0.00 0.00 0.00 42.92 40.24 1sji s ASP 245 CO 0.08 -0.57 1.30 0.25 -0.00 0.00 0.00 175.17 176.23 1sji h LEU 246 N 5.32 0.79 -1.38 1.23 5.85 -1.84 -3.42 115.31 121.85 1sji h LEU 246 Ca -0.45 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 57.66 1sji h LEU 246 Cb 1.21 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1sji h LEU 246 CO 0.77 1.36 -0.11 0.59 -0.34 0.00 0.00 178.44 180.71 1sji n ASN 247 N -3.87 -0.37 0.00 1.25 3.02 -1.26 -4.92 115.26 109.11 1sji n ASN 247 Ca -0.08 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1sji n ASN 247 Cb 0.79 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1sji n ASN 247 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sji n GLY 248 N -0.00 2.46 3.76 7.41 0.00 -1.26 -5.03 105.19 112.53 1sji n GLY 248 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1sji n GLY 248 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sji s ILE 249 N -2.56 1.71 -0.07 -0.61 -5.25 -1.26 -2.62 121.20 110.53 1sji s ILE 249 Ca 0.00 -1.81 0.00 0.00 -0.99 0.00 0.00 60.65 57.85 1sji s ILE 249 Cb 0.00 -2.52 0.02 0.00 2.95 0.00 0.00 42.46 42.91 1sji s ILE 249 CO 0.00 0.00 -0.05 -1.00 -1.79 0.00 0.00 174.94 172.10 1sji s HIS 250 N -2.75 1.01 -0.63 1.37 3.76 0.06 -2.65 115.29 115.45 1sji s HIS 250 Ca 0.26 -0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.53 1sji s HIS 250 Cb 0.03 -0.91 0.04 0.00 1.11 0.00 0.00 32.58 32.85 1sji s HIS 250 CO 0.14 -0.33 1.10 0.42 -0.85 0.00 0.00 174.74 175.22 1sji s ILE 251 N 1.43 4.10 -0.05 0.60 1.01 -1.26 -0.53 121.20 126.51 1sji s ILE 251 Ca -0.02 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1sji s ILE 251 Cb -0.13 -4.72 -0.05 0.00 0.01 0.00 0.00 42.46 37.57 1sji s ILE 251 CO -0.03 -1.44 0.27 -0.69 0.00 0.00 0.00 174.94 173.05 1sji s VAL 252 N 4.70 5.28 -0.13 2.92 1.01 0.10 -2.40 120.40 131.88 1sji s VAL 252 Ca 0.33 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 1sji s VAL 252 Cb -0.11 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1sji s VAL 252 CO 0.18 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.75 1sji s ALA 253 N -1.09 1.55 0.18 5.51 0.00 -0.81 -0.06 121.76 127.05 1sji s ALA 253 Ca 0.20 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.35 1sji s ALA 253 Cb -0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 1sji s ALA 253 CO 0.10 -0.44 0.51 -0.06 0.00 0.00 0.00 175.76 175.86 1sji s PHE 254 N 1.61 3.49 -0.30 0.00 0.08 0.40 -2.52 117.98 120.75 1sji s PHE 254 Ca 0.04 0.86 -0.11 0.00 0.12 0.00 0.00 56.93 57.84 1sji s PHE 254 Cb -0.13 -2.23 0.17 0.00 -0.57 0.00 0.00 43.02 40.25 1sji s PHE 254 CO -0.09 0.36 0.87 0.00 -0.10 0.00 0.00 175.22 176.25 1sji s ALA 255 N -1.67 -2.67 -0.36 5.36 0.00 -1.24 -1.91 121.76 119.27 1sji s ALA 255 Ca 0.43 1.92 -0.29 0.00 0.00 0.00 0.00 51.96 54.02 1sji s ALA 255 Cb -0.12 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1sji s ALA 255 CO 0.21 -1.14 1.17 -2.00 0.00 0.00 0.00 175.76 174.00 1sji s GLU 256 N 2.72 3.91 0.00 0.00 2.12 -1.26 -4.51 118.70 121.67 1sji s GLU 256 Ca 0.02 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.32 1sji s GLU 256 Cb -0.10 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1sji s GLU 256 CO -0.17 -1.12 0.39 2.89 -0.54 0.00 0.00 175.26 176.71 1sji n ARG 257 N 7.31 0.75 -0.03 4.30 1.85 -1.26 -2.54 116.66 127.04 1sji n ARG 257 Ca 0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.91 1sji n ARG 257 Cb 0.48 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.49 1sji n ARG 257 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1sji n SER 258 N 0.14 0.75 -4.68 2.89 7.64 -1.26 -4.52 113.62 114.58 1sji n SER 258 Ca 0.00 0.12 -0.47 0.00 1.01 0.00 0.00 58.87 59.53 1sji n SER 258 Cb 0.20 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 1sji n SER 258 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sji n ASP 259 N -3.45 3.51 0.14 6.43 2.03 -1.05 -4.69 116.55 119.47 1sji n ASP 259 Ca -0.13 0.98 0.12 0.00 0.52 0.00 0.00 54.79 56.28 1sji n ASP 259 Cb 0.50 -1.40 0.51 0.00 -0.72 0.00 0.00 41.12 40.01 1sji n ASP 259 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1sji h PRO 260 N 9.01 0.00 -0.05 -0.67 0.11 -1.93 0.36 132.00 138.83 1sji h PRO 260 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1sji h PRO 260 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sji h PRO 260 CO 0.94 0.00 -0.81 -0.44 -0.21 0.00 0.00 178.00 177.49 1sji h ASP 261 N 0.00 0.50 0.06 -2.05 5.19 -1.90 -2.86 116.42 115.35 1sji h ASP 261 Ca 0.00 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1sji h ASP 261 Cb 0.37 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1sji h ASP 261 CO 0.00 1.12 -0.03 1.23 -3.12 0.00 0.00 179.24 178.44 1sji h GLY 262 N 1.28 -0.08 0.04 2.75 0.00 -0.50 -0.24 103.07 106.31 1sji h GLY 262 Ca -0.05 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.42 1sji h GLY 262 CO 0.14 -0.03 -0.07 -1.82 0.00 0.00 0.00 176.54 174.76 1sji h TYR 263 N -0.56 -0.16 -0.32 5.60 5.03 -1.09 0.20 116.97 125.67 1sji h TYR 263 Ca -0.01 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1sji h TYR 263 Cb 0.49 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1sji h TYR 263 CO 0.09 -0.18 0.18 1.49 -1.32 0.00 0.00 178.16 178.42 1sji h GLU 264 N 0.05 0.44 -0.26 1.82 4.81 -1.53 -1.36 114.58 118.55 1sji h GLU 264 Ca 0.26 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1sji h GLU 264 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1sji h GLU 264 CO -0.49 0.35 0.15 0.35 -0.73 0.00 0.00 179.01 178.65 1sji h PHE 265 N 0.40 0.34 -0.07 0.92 3.57 -0.00 -2.08 116.94 120.03 1sji h PHE 265 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1sji h PHE 265 Cb 0.03 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1sji h PHE 265 CO -0.04 0.23 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.18 1sji h LEU 266 N 0.36 0.14 -1.86 0.59 3.38 0.18 -1.29 115.31 116.82 1sji h LEU 266 Ca 0.10 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1sji h LEU 266 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sji h LEU 266 CO -0.02 0.52 0.00 -0.33 0.09 0.00 0.00 178.44 178.70 1sji h GLU 267 N -0.23 0.00 0.03 1.13 4.39 -0.56 0.35 114.58 119.68 1sji h GLU 267 Ca 0.02 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1sji h GLU 267 Cb 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1sji h GLU 267 CO 0.01 0.00 -0.47 0.82 -1.16 0.00 0.00 179.01 178.21 1sji h ILE 268 N 0.00 1.52 -0.86 3.13 2.04 -1.35 -3.32 117.51 118.68 1sji h ILE 268 Ca 0.00 -2.34 0.21 0.00 1.00 0.00 0.00 64.86 63.73 1sji h ILE 268 Cb 0.03 3.08 -0.13 0.00 -0.74 0.00 0.00 36.82 39.06 1sji h ILE 268 CO 0.00 0.57 0.29 -0.07 0.00 0.00 0.00 178.15 178.94 1sji h LEU 269 N -0.87 0.14 -1.33 1.44 3.38 0.88 0.34 115.31 119.30 1sji h LEU 269 Ca -0.11 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1sji h LEU 269 Cb 1.20 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1sji h LEU 269 CO -0.02 -0.06 -0.02 0.11 0.09 0.00 0.00 178.44 178.54 1sji h LYS 270 N 0.30 0.42 0.74 1.13 1.57 -1.55 -1.99 116.57 117.19 1sji h LYS 270 Ca 0.53 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1sji h LYS 270 Cb 1.00 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1sji h LYS 270 CO -0.57 0.47 -0.35 0.37 -0.57 0.00 0.00 179.45 178.79 1sji h GLN 271 N 0.41 -0.96 -0.96 3.15 4.15 -0.42 0.80 115.11 121.28 1sji h GLN 271 Ca 0.09 0.07 0.24 0.00 0.77 0.00 0.00 58.65 59.81 1sji h GLN 271 Cb 0.30 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.14 1sji h GLN 271 CO 0.01 -0.61 0.64 0.28 -1.93 0.00 0.00 178.83 177.22 1sji h VAL 272 N -1.12 0.60 -0.06 2.39 2.07 -1.41 0.45 116.25 119.16 1sji h VAL 272 Ca -0.10 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1sji h VAL 272 Cb 0.78 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1sji h VAL 272 CO 0.17 0.06 -0.15 0.00 0.02 0.00 0.00 177.57 177.66 1sji h ALA 273 N 1.59 0.11 -0.50 1.67 0.00 -0.49 -0.53 119.26 121.10 1sji h ALA 273 Ca 0.50 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1sji h ALA 273 Cb 1.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1sji h ALA 273 CO -0.18 0.02 0.01 0.00 0.00 0.00 0.00 179.25 179.10 1sji h ARG 274 N -0.28 0.83 0.00 0.00 3.08 0.25 -2.66 114.38 115.60 1sji h ARG 274 Ca -0.00 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 1sji h ARG 274 Cb 0.75 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1sji h ARG 274 CO 0.03 0.83 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.91 1sji h ASP 275 N 0.78 0.00 -0.27 7.04 3.45 -0.09 -3.25 116.42 124.07 1sji h ASP 275 Ca 0.15 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.41 1sji h ASP 275 Cb 0.45 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.06 1sji h ASP 275 CO 0.02 0.42 -0.63 0.59 -1.57 0.00 0.00 179.24 178.07 1sji n ASN 276 N -3.48 2.85 0.27 6.45 4.13 -0.22 -4.88 115.26 120.38 1sji n ASN 276 Ca 0.00 -3.81 -0.17 0.00 1.68 0.00 0.00 54.58 52.28 1sji n ASN 276 Cb 0.56 -0.46 -0.09 0.00 -1.54 0.00 0.00 39.78 38.25 1sji n ASN 276 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1sji h THR 277 N 1.55 0.16 0.00 3.41 2.02 -1.51 -2.86 112.91 115.68 1sji h THR 277 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1sji h THR 277 Cb 1.21 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1sji h THR 277 CO 0.27 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.63 1sji n ASP 278 N -5.51 0.59 -4.63 4.18 10.43 -1.26 -4.58 116.55 115.76 1sji n ASP 278 Ca -0.11 -1.23 -0.39 0.00 2.57 0.00 0.00 54.79 55.64 1sji n ASP 278 Cb 0.41 -0.29 -0.08 0.00 1.84 0.00 0.00 41.12 42.99 1sji n ASP 278 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1sji s ASN 279 N -0.42 6.35 0.20 -2.24 3.84 -1.08 -4.95 114.94 116.64 1sji s ASN 279 Ca 0.00 0.41 0.03 0.00 0.21 0.00 0.00 52.86 53.50 1sji s ASN 279 Cb 0.00 -2.23 0.14 0.00 -0.55 0.00 0.00 41.25 38.61 1sji s ASN 279 CO 0.00 -0.17 1.49 -0.65 -2.79 0.00 0.00 177.10 174.98 1sji h PRO 280 N 7.87 0.26 -0.11 0.43 0.11 -1.89 -3.34 132.00 135.33 1sji h PRO 280 Ca -0.33 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sji h PRO 280 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sji h PRO 280 CO 0.68 0.86 0.00 -0.25 -0.21 0.00 0.00 178.00 179.08 1sji n ASP 281 N -3.81 1.39 -4.01 -2.05 8.00 -1.26 -4.74 116.55 110.06 1sji n ASP 281 Ca -0.03 -1.61 -0.31 0.00 0.71 0.00 0.00 54.79 53.55 1sji n ASP 281 Cb 0.69 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 1sji n ASP 281 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sji s LEU 282 N -1.67 3.72 -0.09 0.64 0.20 -1.26 -4.91 118.68 115.32 1sji s LEU 282 Ca 0.33 -1.65 -0.02 0.00 0.69 0.00 0.00 54.13 53.49 1sji s LEU 282 Cb 0.18 -1.49 0.04 0.00 -0.43 0.00 0.00 46.19 44.49 1sji s LEU 282 CO 0.27 -0.28 0.04 -0.55 -0.29 0.00 0.00 176.35 175.55 1sji s SER 283 N 1.10 1.69 -0.22 3.68 0.15 -1.25 -4.61 113.70 114.24 1sji s SER 283 Ca -0.00 -0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 1sji s SER 283 Cb -0.19 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1sji s SER 283 CO -0.07 -0.25 0.29 -0.63 1.20 0.00 0.00 173.24 173.78 1sji s ILE 284 N 2.04 5.27 -0.32 6.45 1.01 0.26 -3.99 121.20 131.93 1sji s ILE 284 Ca 0.04 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 1sji s ILE 284 Cb -0.13 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1sji s ILE 284 CO -0.05 0.29 0.33 -0.69 0.00 0.00 0.00 174.94 174.82 1sji s VAL 285 N 1.26 5.20 -0.23 2.92 1.01 -1.01 0.13 120.40 129.69 1sji s VAL 285 Ca 0.14 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1sji s VAL 285 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1sji s VAL 285 CO 0.07 0.02 0.23 -1.66 0.00 0.00 0.00 175.10 173.76 1sji s TRP 286 N 1.98 3.34 -0.42 5.22 1.48 0.29 -1.92 118.94 128.90 1sji s TRP 286 Ca 0.12 0.35 -0.13 0.00 -1.06 0.00 0.00 56.10 55.37 1sji s TRP 286 Cb -0.16 -2.34 0.05 0.00 -1.16 0.00 0.00 33.47 29.86 1sji s TRP 286 CO 0.11 0.05 0.30 0.42 -4.06 0.00 0.00 176.95 173.76 1sji s ILE 287 N 1.12 4.80 -0.34 0.66 1.01 -1.05 0.07 121.20 127.48 1sji s ILE 287 Ca 0.11 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 1sji s ILE 287 Cb -0.14 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1sji s ILE 287 CO 0.05 -0.43 1.12 -0.62 0.00 0.00 0.00 174.94 175.06 1sji s ASP 288 N 2.05 6.85 0.53 3.58 -1.08 -1.26 -3.63 116.67 123.71 1sji s ASP 288 Ca 0.03 0.98 0.26 0.00 -0.52 0.00 0.00 52.55 53.31 1sji s ASP 288 Cb -0.22 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.10 1sji s ASP 288 CO 0.06 -0.96 1.96 -0.65 0.52 0.00 0.00 175.17 176.10 1sji h PRO 289 N 8.42 0.02 0.00 4.34 0.11 -1.92 -0.39 132.00 142.58 1sji h PRO 289 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1sji h PRO 289 Cb 1.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sji h PRO 289 CO 1.05 0.02 0.00 0.22 -0.21 0.00 0.00 178.00 179.07 1sji h ASP 290 N 0.03 0.00 0.50 -2.05 1.82 -1.92 -2.12 116.42 112.67 1sji h ASP 290 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1sji h ASP 290 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1sji h ASP 290 CO -0.01 0.00 -0.22 0.47 -1.61 0.00 0.00 179.24 177.87 1sji n ASP 291 N -2.98 0.47 -3.27 2.28 8.00 -0.15 -4.57 116.55 116.33 1sji n ASP 291 Ca -0.01 -0.33 -0.25 0.00 0.71 0.00 0.00 54.79 54.92 1sji n ASP 291 Cb 0.19 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1sji n ASP 291 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sji n PHE 292 N -1.17 1.06 -0.11 1.24 3.72 -0.80 -4.99 117.46 116.42 1sji n PHE 292 Ca 0.10 -3.77 -0.05 0.00 -0.05 0.00 0.00 57.45 53.68 1sji n PHE 292 Cb 0.32 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 38.45 1sji n PHE 292 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sji h PRO 293 N 4.03 0.09 -0.40 -1.08 0.11 -1.81 -0.35 132.00 132.60 1sji h PRO 293 Ca 0.12 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.23 1sji h PRO 293 Cb 0.80 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1sji h PRO 293 CO 0.59 0.06 0.24 -0.07 -0.21 0.00 0.00 178.00 178.62 1sji h LEU 294 N 0.09 0.40 -0.25 2.35 3.38 -1.94 0.18 115.31 119.52 1sji h LEU 294 Ca 0.18 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1sji h LEU 294 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sji h LEU 294 CO -0.31 0.29 -0.89 -0.07 0.09 0.00 0.00 178.44 177.55 1sji h LEU 295 N 0.49 0.41 -0.32 1.67 3.38 -1.97 -2.42 115.31 116.56 1sji h LEU 295 Ca 0.16 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1sji h LEU 295 Cb -0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1sji h LEU 295 CO -0.06 1.11 -0.14 0.58 0.09 0.00 0.00 178.44 180.02 1sji h VAL 296 N 0.18 0.56 0.18 1.22 2.07 0.11 0.19 116.25 120.76 1sji h VAL 296 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1sji h VAL 296 Cb 1.51 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1sji h VAL 296 CO 0.15 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.39 1sji h ALA 297 N 1.18 -0.63 -0.91 1.67 0.00 -1.37 -0.64 119.26 118.55 1sji h ALA 297 Ca 0.16 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.20 1sji h ALA 297 Cb 0.33 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1sji h ALA 297 CO -0.37 -0.91 0.47 -0.92 0.00 0.00 0.00 179.25 177.51 1sji h TYR 298 N -0.61 0.80 0.01 0.00 5.03 -0.19 -1.67 116.97 120.34 1sji h TYR 298 Ca 0.02 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 1sji h TYR 298 Cb 0.61 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1sji h TYR 298 CO -0.28 0.08 -0.01 -1.49 -1.32 0.00 0.00 178.16 175.14 1sji h TRP 299 N 0.54 -0.02 -0.72 -3.82 6.55 -0.89 -0.65 115.95 116.95 1sji h TRP 299 Ca 0.55 -0.00 0.16 0.00 0.95 0.00 0.00 58.89 60.54 1sji h TRP 299 Cb 0.94 0.01 -0.12 0.00 -0.86 0.00 0.00 29.16 29.13 1sji h TRP 299 CO -0.09 0.39 0.08 1.49 -1.05 0.00 0.00 178.44 179.27 1sji h GLU 300 N -0.43 0.17 0.04 0.49 4.81 -0.83 -0.52 114.58 118.30 1sji h GLU 300 Ca -0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1sji h GLU 300 Cb 0.42 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1sji h GLU 300 CO 0.00 0.11 -1.12 -0.22 -0.73 0.00 0.00 179.01 177.06 1sji h LYS 301 N 0.17 0.09 -0.01 1.92 3.11 -1.17 -3.03 116.57 117.65 1sji h LYS 301 Ca 0.40 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 1sji h LYS 301 Cb 0.69 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1sji h LYS 301 CO -0.57 1.05 -0.15 0.25 -2.81 0.00 0.00 179.45 177.22 1sji n THR 302 N -3.39 0.00 -0.02 1.00 -2.24 -0.26 -4.22 114.28 105.14 1sji n THR 302 Ca -0.04 -0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1sji n THR 302 Cb 0.97 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 69.35 1sji n THR 302 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sji n PHE 303 N -0.53 0.00 -3.35 4.78 3.72 -0.24 -4.83 117.46 117.00 1sji n PHE 303 Ca 0.15 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.39 1sji n PHE 303 Cb 0.32 -0.45 0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1sji n PHE 303 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1sji n LYS 304 N -2.17 -4.46 -4.13 -1.08 5.02 -1.15 -4.87 118.16 105.34 1sji n LYS 304 Ca -0.08 0.85 -0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1sji n LYS 304 Cb 0.54 -5.82 -0.10 0.00 -0.02 0.00 0.00 35.03 29.63 1sji n LYS 304 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1sji s ILE 305 N -3.38 0.12 -0.43 -0.18 -4.36 -1.24 -5.04 121.20 106.69 1sji s ILE 305 Ca 0.22 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 1sji s ILE 305 Cb -0.03 -1.94 0.09 0.00 1.25 0.00 0.00 42.46 41.83 1sji s ILE 305 CO 0.74 -0.56 0.27 -0.62 0.24 0.00 0.00 174.94 175.02 1sji s ASP 306 N -3.02 5.61 0.54 4.36 3.68 -1.26 -4.66 116.67 121.92 1sji s ASP 306 Ca 0.21 -1.65 0.34 0.00 2.13 0.00 0.00 52.55 53.58 1sji s ASP 306 Cb 0.07 -1.98 1.48 0.00 -1.45 0.00 0.00 42.92 41.05 1sji s ASP 306 CO -0.01 -0.58 2.01 -0.07 0.13 0.00 0.00 175.17 176.66 1sji h LEU 307 N 8.38 0.00 0.00 -1.34 4.07 -1.93 -1.58 115.31 122.92 1sji h LEU 307 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1sji h LEU 307 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1sji h LEU 307 CO 0.78 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 178.63 1sji n PHE 308 N -3.02 0.00 -4.49 1.13 0.99 -1.26 -4.57 117.46 106.24 1sji n PHE 308 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.21 1sji n PHE 308 Cb 0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.64 1sji n PHE 308 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1sji s LYS 309 N -2.00 1.69 0.71 -1.08 1.02 -0.59 -5.03 119.74 114.46 1sji s LYS 309 Ca 0.18 -1.85 -0.14 0.00 0.02 0.00 0.00 55.97 54.18 1sji s LYS 309 Cb 0.08 -1.52 0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1sji s LYS 309 CO 0.14 0.14 1.15 -2.14 -0.92 0.00 0.00 175.35 173.73 1sji s PRO 310 N -3.63 2.37 0.17 -1.68 0.02 -1.26 -4.75 135.00 126.24 1sji s PRO 310 Ca 0.31 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.64 1sji s PRO 310 Cb 0.01 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.71 1sji s PRO 310 CO 0.14 -1.61 0.62 -0.65 -0.33 0.00 0.00 177.00 175.17 1sji s GLN 311 N -4.11 1.34 -0.29 5.54 1.11 -0.80 -4.95 119.66 117.50 1sji s GLN 311 Ca 0.70 -0.54 -0.13 0.00 0.01 0.00 0.00 55.36 55.40 1sji s GLN 311 Cb -0.24 0.59 0.11 0.00 -1.01 0.00 0.00 33.01 32.46 1sji s GLN 311 CO 0.45 -0.59 0.68 -1.50 0.01 0.00 0.00 175.29 174.34 1sji s ILE 312 N -3.76 -0.50 0.23 1.08 2.07 -1.26 -0.45 121.20 118.61 1sji s ILE 312 Ca 0.02 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 1sji s ILE 312 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 1sji s ILE 312 CO -0.10 0.00 0.36 0.61 -1.91 0.00 0.00 174.94 173.90 1sji n GLY 313 N 4.88 2.20 3.48 1.50 0.00 0.91 -2.12 105.19 116.05 1sji n GLY 313 Ca -0.16 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1sji n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sji s VAL 314 N -2.62 3.81 -0.05 1.61 1.01 -1.18 0.02 120.40 123.00 1sji s VAL 314 Ca 0.17 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1sji s VAL 314 Cb -0.01 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1sji s VAL 314 CO 0.12 0.49 -0.08 0.54 0.00 0.00 0.00 175.10 176.17 1sji s VAL 315 N 0.42 0.78 -0.09 2.92 0.11 0.31 -2.11 120.40 122.73 1sji s VAL 315 Ca -0.04 -0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 58.46 1sji s VAL 315 Cb -0.14 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1sji s VAL 315 CO 0.03 0.28 0.93 0.21 -3.33 0.00 0.00 175.10 173.22 1sji s ASN 316 N 0.79 7.19 0.49 3.54 3.04 -1.19 -0.76 114.94 128.03 1sji s ASN 316 Ca -0.13 1.45 0.22 0.00 0.04 0.00 0.00 52.86 54.44 1sji s ASN 316 Cb -0.15 -2.52 1.29 0.00 -1.54 0.00 0.00 41.25 38.32 1sji s ASN 316 CO 0.02 -0.36 2.05 1.62 -3.04 0.00 0.00 177.10 177.39 1sji h VAL 317 N 5.01 0.81 0.00 -5.21 3.04 -1.84 -3.37 116.25 114.69 1sji h VAL 317 Ca -0.34 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1sji h VAL 317 Cb 1.17 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1sji h VAL 317 CO 0.82 0.13 0.00 0.35 -1.01 0.00 0.00 177.57 177.86 1sji n THR 318 N -3.96 0.00 -2.70 3.17 -2.24 -1.26 -4.73 114.28 102.56 1sji n THR 318 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1sji n THR 318 Cb 0.23 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1sji n THR 318 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sji s ASP 319 N -1.00 6.34 0.03 3.42 -1.08 -1.26 -4.86 116.67 118.25 1sji s ASP 319 Ca 0.00 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 1sji s ASP 319 Cb 0.00 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1sji s ASP 319 CO 0.00 -1.51 0.08 0.00 0.52 0.00 0.00 175.17 174.26 1sji n ALA 320 N 8.32 0.00 -1.74 3.66 0.00 -1.26 -4.73 120.51 124.77 1sji n ALA 320 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1sji n ALA 320 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1sji n ALA 320 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1sji s ASP 321 N -0.87 5.64 0.11 0.00 -4.77 -1.26 -4.78 116.67 110.73 1sji s ASP 321 Ca 0.00 2.15 0.08 0.00 -3.30 0.00 0.00 52.55 51.49 1sji s ASP 321 Cb 0.00 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 1sji s ASP 321 CO 0.00 -1.28 -0.21 -0.94 0.70 0.00 0.00 175.17 173.44 1sji s SER 322 N -1.89 2.60 -0.51 2.11 1.04 -1.26 -3.20 113.70 112.59 1sji s SER 322 Ca 0.72 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 56.49 1sji s SER 322 Cb -0.23 -0.15 0.13 0.00 0.10 0.00 0.00 66.02 65.87 1sji s SER 322 CO 0.29 0.07 0.26 -0.69 0.98 0.00 0.00 173.24 174.14 1sji s VAL 323 N -1.17 2.51 0.25 5.02 1.01 -0.90 -5.04 120.40 122.08 1sji s VAL 323 Ca 0.07 -3.27 -0.21 0.00 0.00 0.00 0.00 61.98 58.57 1sji s VAL 323 Cb -0.10 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 1sji s VAL 323 CO 0.04 -0.81 0.77 0.26 0.00 0.00 0.00 175.10 175.37 1sji s TRP 324 N -0.25 3.65 -1.09 5.22 0.51 -1.26 -3.11 118.94 122.61 1sji s TRP 324 Ca 0.17 1.47 -0.21 0.00 -2.12 0.00 0.00 56.10 55.41 1sji s TRP 324 Cb -0.26 -2.68 0.07 0.00 -0.81 0.00 0.00 33.47 29.79 1sji s TRP 324 CO -0.00 0.30 1.48 1.41 -0.51 0.00 0.00 176.95 179.63 1sji s MET 325 N -2.03 3.71 0.00 4.98 -2.45 -0.90 -4.51 119.30 118.09 1sji s MET 325 Ca 0.45 -1.49 0.25 0.00 -1.25 0.00 0.00 55.69 53.65 1sji s MET 325 Cb -0.17 -5.33 0.64 0.00 1.25 0.00 0.00 34.83 31.22 1sji s MET 325 CO 0.21 -2.14 1.51 -1.91 1.05 0.00 0.00 175.02 173.74 1sji n GLU 326 N 8.31 2.00 -3.56 4.11 0.00 -1.26 -4.28 120.64 125.96 1sji n GLU 326 Ca 0.36 -1.46 -0.23 0.00 0.00 0.00 0.00 57.16 55.83 1sji n GLU 326 Cb 0.49 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.47 1sji n GLU 326 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1sji n ILE 327 N 0.75 -2.82 0.10 6.31 -5.35 -1.26 -3.37 119.36 113.71 1sji n ILE 327 Ca 0.17 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.66 1sji n ILE 327 Cb 0.46 -2.52 0.04 0.00 -1.74 0.00 0.00 39.64 35.88 1sji n ILE 327 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1sji n PRO 328 N -2.05 0.05 0.03 6.28 -0.04 -1.26 -1.58 135.00 136.43 1sji n PRO 328 Ca -0.26 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.01 1sji n PRO 328 Cb 0.60 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 1sji n PRO 328 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1sji h ASP 329 N 0.00 0.42 0.00 3.54 3.45 -2.03 -3.49 116.42 118.31 1sji h ASP 329 Ca 0.00 -0.78 0.00 0.00 0.43 0.00 0.00 57.03 56.68 1sji h ASP 329 Cb 0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1sji h ASP 329 CO 0.00 1.68 0.00 0.47 -1.57 0.00 0.00 179.24 179.82 1sji n ASP 330 N -3.46 0.00 -1.40 6.45 10.43 -0.61 -5.16 116.55 122.80 1sji n ASP 330 Ca -0.26 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.10 1sji n ASP 330 Cb 1.06 0.00 0.00 0.00 1.84 0.00 0.00 41.12 44.02 1sji n ASP 330 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1sji n ASP 331 N 0.00 -5.24 -4.01 -2.24 2.03 -1.20 -4.36 116.55 101.53 1sji n ASP 331 Ca 0.00 0.90 -0.31 0.00 0.52 0.00 0.00 54.79 55.90 1sji n ASP 331 Cb 0.00 -3.70 -0.15 0.00 -0.72 0.00 0.00 41.12 36.54 1sji n ASP 331 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1sji s ASP 332 N -3.85 4.29 0.00 1.67 1.11 -1.26 -4.97 116.67 113.66 1sji s ASP 332 Ca 0.00 -1.46 0.00 0.00 0.18 0.00 0.00 52.55 51.27 1sji s ASP 332 Cb 0.00 -1.41 0.00 0.00 1.07 0.00 0.00 42.92 42.58 1sji s ASP 332 CO 0.00 -0.24 0.00 -0.11 1.18 0.00 0.00 175.17 176.00 1sji n LEU 333 N 4.50 0.00 0.00 1.23 7.94 -1.26 -5.15 117.00 124.25 1sji n LEU 333 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1sji n LEU 333 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1sji n LEU 333 CO 0.20 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.83 1sji n PRO 334 N 0.00 3.11 -3.89 1.96 -0.02 -1.26 -5.00 135.00 129.90 1sji n PRO 334 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1sji n PRO 334 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1sji n PRO 334 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sji s THR 335 N 0.00 0.00 0.08 3.45 -4.23 -1.26 -5.04 115.64 108.64 1sji s THR 335 Ca 0.00 -1.16 -0.28 0.00 -1.18 0.00 0.00 61.69 59.07 1sji s THR 335 Cb 0.00 -2.60 -0.16 0.00 1.34 0.00 0.00 72.50 71.08 1sji s THR 335 CO 0.00 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.76 1sji h ALA 336 N 2.05 -0.44 -0.60 3.99 0.00 -1.98 0.18 119.26 122.47 1sji h ALA 336 Ca -0.28 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1sji h ALA 336 Cb 1.25 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1sji h ALA 336 CO 0.36 -0.75 0.39 1.49 0.00 0.00 0.00 179.25 180.75 1sji h GLU 337 N -0.45 0.60 0.00 0.00 4.22 -1.98 0.51 114.58 117.47 1sji h GLU 337 Ca -0.04 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.15 1sji h GLU 337 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1sji h GLU 337 CO 0.06 0.39 -1.09 0.93 -2.18 0.00 0.00 179.01 177.12 1sji h GLU 338 N 0.61 0.00 0.19 1.92 5.08 -1.94 -3.12 114.58 117.33 1sji h GLU 338 Ca 0.25 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.29 1sji h GLU 338 Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1sji h GLU 338 CO -0.07 0.91 -1.55 1.25 -1.00 0.00 0.00 179.01 178.55 1sji h LEU 339 N 0.00 0.64 0.09 1.33 6.46 0.85 -3.10 115.31 121.58 1sji h LEU 339 Ca -0.05 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.79 1sji h LEU 339 Cb 1.79 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.51 1sji h LEU 339 CO 0.12 1.71 -0.09 -0.33 -0.62 0.00 0.00 178.44 179.23 1sji h GLU 340 N 0.01 -0.19 -0.31 1.25 5.08 -0.21 -0.09 114.58 120.12 1sji h GLU 340 Ca -0.30 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1sji h GLU 340 Cb 2.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1sji h GLU 340 CO 0.19 -0.13 0.22 -0.44 -1.00 0.00 0.00 179.01 177.85 1sji h ASP 341 N -0.20 0.07 0.40 1.42 5.19 -1.66 0.89 116.42 122.53 1sji h ASP 341 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1sji h ASP 341 Cb 0.19 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 39.71 1sji h ASP 341 CO -0.02 0.04 -1.29 -0.25 -3.12 0.00 0.00 179.24 174.60 1sji h TRP 342 N 0.08 0.76 -0.18 4.55 7.01 -1.39 -2.31 115.95 124.46 1sji h TRP 342 Ca 0.14 -0.52 -0.02 0.00 2.11 0.00 0.00 58.89 60.59 1sji h TRP 342 Cb 0.48 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1sji h TRP 342 CO -0.00 1.39 0.02 0.82 -2.79 0.00 0.00 178.44 177.89 1sji h ILE 343 N 0.15 1.23 -0.86 2.65 2.04 0.11 -2.54 117.51 120.29 1sji h ILE 343 Ca -0.18 -0.77 0.21 0.00 1.00 0.00 0.00 64.86 65.13 1sji h ILE 343 Cb 1.99 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1sji h ILE 343 CO 0.23 0.23 0.59 -0.08 0.00 0.00 0.00 178.15 179.12 1sji h GLU 344 N 0.09 0.24 -0.36 2.37 4.81 0.59 -1.82 114.58 120.49 1sji h GLU 344 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1sji h GLU 344 Cb 0.33 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1sji h GLU 344 CO 0.01 0.16 0.00 -0.25 -0.73 0.00 0.00 179.01 178.19 1sji n ASP 345 N -4.43 2.69 0.20 1.04 9.92 -0.87 -4.61 116.55 120.49 1sji n ASP 345 Ca 0.18 -1.91 0.18 0.00 -0.53 0.00 0.00 54.79 52.72 1sji n ASP 345 Cb 0.76 -0.24 0.83 0.00 -0.64 0.00 0.00 41.12 41.84 1sji n ASP 345 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1sji h VAL 346 N 3.32 0.36 -0.11 2.53 -1.51 -0.91 -1.60 116.25 118.33 1sji h VAL 346 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 1sji h VAL 346 Cb 0.74 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1sji h VAL 346 CO 0.00 0.00 -0.65 0.17 -1.23 0.00 0.00 177.57 175.86 1sji h LEU 347 N 0.00 0.48 -1.34 4.19 -0.00 -1.84 -1.66 115.31 115.15 1sji h LEU 347 Ca 0.10 -0.29 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 1sji h LEU 347 Cb 0.63 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1sji h LEU 347 CO -0.00 1.00 0.07 0.28 -0.00 0.00 0.00 178.44 179.79 1sji h SER 348 N 0.30 0.47 -0.52 0.17 0.02 -1.59 -1.42 113.55 110.99 1sji h SER 348 Ca -0.01 -0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.60 1sji h SER 348 Cb 1.20 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.46 1sji h SER 348 CO 0.11 0.49 0.34 0.61 -1.14 0.00 0.00 176.83 177.25 1sji n GLY 349 N -1.04 3.30 0.00 -3.77 0.00 -0.68 -4.83 105.19 98.17 1sji n GLY 349 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1sji n GLY 349 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sji n LYS 350 N -0.36 0.00 -2.99 1.61 4.81 -0.56 -4.99 118.16 115.68 1sji n LYS 350 Ca 0.31 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.32 1sji n LYS 350 Cb 1.12 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 36.11 1sji n LYS 350 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1sji s ILE 351 N 2.01 4.66 0.00 3.15 1.01 -1.02 -5.00 121.20 126.02 1sji s ILE 351 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1sji s ILE 351 Cb 0.00 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1sji s ILE 351 CO 0.00 -0.76 0.31 -3.20 0.00 0.00 0.00 174.94 171.29