#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gju s VAL 2 N 0.00 5.33 0.27 2.03 1.01 -1.26 -1.34 120.40 126.44 2gju s VAL 2 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2gju s VAL 2 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2gju s VAL 2 CO 0.00 0.31 -0.13 -0.31 0.00 0.00 0.00 175.10 174.97 2gju s TYR 3 N 1.27 2.09 -0.16 5.22 2.02 0.11 -1.20 117.35 126.71 2gju s TYR 3 Ca 0.09 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2gju s TYR 3 Cb -0.14 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2gju s TYR 3 CO 0.06 0.50 -0.08 0.08 -1.57 0.00 0.00 175.55 174.54 2gju s VAL 4 N -2.76 3.38 -0.05 0.71 1.01 0.11 -2.21 120.40 120.58 2gju s VAL 4 Ca 0.28 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 2gju s VAL 4 Cb -0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2gju s VAL 4 CO 0.12 0.50 0.67 0.00 0.00 0.00 0.00 175.10 176.39 2gju s ALA 5 N 0.57 3.37 -0.15 5.51 0.00 -0.28 -0.71 121.76 130.07 2gju s ALA 5 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2gju s ALA 5 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2gju s ALA 5 CO 0.03 -0.04 -0.19 0.08 0.00 0.00 0.00 175.76 175.63 2gju s VAL 6 N 0.58 1.89 0.16 0.00 1.01 0.46 -0.22 120.40 124.28 2gju s VAL 6 Ca 0.36 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2gju s VAL 6 Cb -0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2gju s VAL 6 CO 0.18 0.52 -0.17 -0.76 0.00 0.00 0.00 175.10 174.86 2gju s LEU 7 N 1.08 2.43 0.07 3.92 1.02 0.17 -1.33 118.68 126.04 2gju s LEU 7 Ca -0.02 -0.85 -0.22 0.00 0.02 0.00 0.00 54.13 53.06 2gju s LEU 7 Cb -0.14 -0.77 0.05 0.00 0.02 0.00 0.00 46.19 45.35 2gju s LEU 7 CO -0.06 -0.06 0.53 0.00 0.02 0.00 0.00 176.35 176.78 2gju s ALA 8 N -2.08 -1.35 -1.13 4.21 0.00 -1.26 0.40 121.76 120.54 2gju s ALA 8 Ca 0.14 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 2gju s ALA 8 Cb -0.05 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2gju s ALA 8 CO 0.06 -0.57 0.83 0.09 0.00 0.00 0.00 175.76 176.18 2gju n ASN 9 N 0.20 -5.00 -0.08 0.00 3.02 -0.95 -0.48 115.26 111.97 2gju n ASN 9 Ca -0.18 -0.85 -0.14 0.00 -0.03 0.00 0.00 54.58 53.39 2gju n ASN 9 Cb 0.61 -4.28 -0.05 0.00 -0.61 0.00 0.00 39.78 35.46 2gju n ASN 9 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2gju h ILE 10 N -1.57 1.31 -6.27 2.41 2.04 -1.01 -0.48 117.51 113.93 2gju h ILE 10 Ca -0.63 -1.52 -0.48 0.00 1.00 0.00 0.00 64.86 63.23 2gju h ILE 10 Cb 1.34 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.98 2gju h ILE 10 CO 0.48 0.48 -0.75 0.00 0.00 0.00 0.00 178.15 178.37 2gju n ALA 11 N -2.51 -1.23 -0.88 1.87 0.00 0.94 -1.71 120.51 116.99 2gju n ALA 11 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2gju n ALA 11 Cb 0.50 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.96 2gju n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gju n GLY 12 N -1.53 0.79 3.45 0.00 0.00 0.26 -1.42 105.19 106.74 2gju n GLY 12 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 2gju n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gju s ASN 13 N -2.61 6.78 0.11 1.61 3.84 -0.70 -1.73 114.94 122.26 2gju s ASN 13 Ca 0.00 -2.39 -0.21 0.00 0.21 0.00 0.00 52.86 50.47 2gju s ASN 13 Cb 0.00 -2.39 -0.10 0.00 -0.55 0.00 0.00 41.25 38.22 2gju s ASN 13 CO 0.00 -0.93 1.76 0.15 -2.79 0.00 0.00 177.10 175.29 2gju h PHE 14 N 8.23 0.16 -0.63 0.43 3.57 -1.87 -2.50 116.94 124.33 2gju h PHE 14 Ca 0.20 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2gju h PHE 14 Cb 0.98 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 2gju h PHE 14 CO 1.13 0.10 0.22 -1.35 -2.23 0.00 0.00 178.31 176.18 2gju h PRO 15 N 0.17 0.37 -0.51 6.41 0.11 -1.93 0.12 132.00 136.74 2gju h PRO 15 Ca 0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2gju h PRO 15 Cb -0.02 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 2gju h PRO 15 CO -0.01 0.24 0.24 0.00 -0.21 0.00 0.00 178.00 178.27 2gju h ALA 16 N 1.45 0.66 -0.48 -0.75 0.00 -1.86 -1.38 119.26 116.91 2gju h ALA 16 Ca 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2gju h ALA 16 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2gju h ALA 16 CO -0.35 0.22 0.19 1.25 0.00 0.00 0.00 179.25 180.57 2gju h LEU 17 N 0.68 0.65 -0.93 0.00 5.85 -0.86 -1.73 115.31 118.96 2gju h LEU 17 Ca 0.17 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2gju h LEU 17 Cb 0.12 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2gju h LEU 17 CO -0.02 0.64 0.36 0.74 -0.34 0.00 0.00 178.44 179.82 2gju h THR 18 N 0.63 1.25 -0.62 1.05 2.02 -0.59 -0.81 112.91 115.84 2gju h THR 18 Ca 0.16 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 2gju h THR 18 Cb 0.19 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2gju h THR 18 CO -0.01 0.30 0.07 0.00 0.37 0.00 0.00 175.52 176.25 2gju h ALA 19 N 1.28 0.83 -0.35 6.16 0.00 -1.00 -0.92 119.26 125.26 2gju h ALA 19 Ca 0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2gju h ALA 19 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2gju h ALA 19 CO -0.03 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 2gju h ALA 20 N 1.02 0.48 -0.53 0.00 0.00 -0.91 -1.61 119.26 117.71 2gju h ALA 20 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2gju h ALA 20 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gju h ALA 20 CO 0.02 0.29 -0.03 -0.07 0.00 0.00 0.00 179.25 179.46 2gju h LEU 21 N 0.46 0.91 -0.96 0.00 3.38 -1.05 -1.75 115.31 116.29 2gju h LEU 21 Ca 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2gju h LEU 21 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2gju h LEU 21 CO 0.03 0.98 -0.21 -0.33 0.09 0.00 0.00 178.44 178.99 2gju h GLU 22 N 0.85 0.51 -0.28 1.13 5.08 -1.07 -1.44 114.58 119.36 2gju h GLU 22 Ca 0.15 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2gju h GLU 22 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2gju h GLU 22 CO 0.03 0.69 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.25 2gju h LYS 23 N 0.46 0.55 -0.40 2.33 1.63 -0.90 -1.79 116.57 118.45 2gju h LYS 23 Ca 0.07 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 2gju h LYS 23 Cb 0.63 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2gju h LYS 23 CO 0.04 0.77 0.00 0.82 -3.45 0.00 0.00 179.45 177.64 2gju h ILE 24 N 0.48 1.26 -0.46 2.00 2.04 -0.85 -0.41 117.51 121.57 2gju h ILE 24 Ca 0.07 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2gju h ILE 24 Cb 0.71 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2gju h ILE 24 CO 0.05 0.34 0.31 -0.33 0.00 0.00 0.00 178.15 178.52 2gju h GLU 25 N 0.53 0.58 -0.09 2.37 4.39 -1.02 -1.35 114.58 119.99 2gju h GLU 25 Ca 0.11 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2gju h GLU 25 Cb 0.47 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2gju h GLU 25 CO 0.02 0.38 -0.01 1.49 -1.16 0.00 0.00 179.01 179.73 2gju h GLU 26 N 0.59 0.16 -0.00 2.33 4.81 -0.77 -2.60 114.58 119.10 2gju h GLU 26 Ca 0.17 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2gju h GLU 26 Cb -0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2gju h GLU 26 CO -0.04 0.45 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.45 2gju h LEU 27 N -0.14 0.00 -0.69 1.64 3.38 -0.48 -1.29 115.31 117.74 2gju h LEU 27 Ca 0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2gju h LEU 27 Cb 0.38 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2gju h LEU 27 CO 0.01 0.17 0.04 0.11 0.09 0.00 0.00 178.44 178.86 2gju h LYS 28 N 0.00 1.06 0.00 1.13 1.57 -1.10 0.72 116.57 119.95 2gju h LYS 28 Ca -0.00 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2gju h LYS 28 Cb 0.29 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2gju h LYS 28 CO 0.02 1.00 -0.07 0.93 -0.57 0.00 0.00 179.45 180.77 2gju h GLU 29 N 0.98 0.00 -0.58 3.15 5.08 -0.86 -1.46 114.58 120.88 2gju h GLU 29 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2gju h GLU 29 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2gju h GLU 29 CO 0.02 0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.49 2gju n GLU 30 N -3.38 2.52 0.00 2.33 1.02 -0.50 -4.91 120.64 117.72 2gju n GLU 30 Ca -0.02 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 2gju n GLU 30 Cb 0.22 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2gju n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gju n GLY 31 N 1.29 0.48 3.65 0.62 0.00 -0.55 -5.06 105.19 105.63 2gju n GLY 31 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2gju n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gju s TYR 32 N -2.00 2.93 -0.20 1.61 1.51 0.13 -4.00 117.35 117.33 2gju s TYR 32 Ca 0.00 1.09 -0.18 0.00 -1.01 0.00 0.00 57.07 56.97 2gju s TYR 32 Cb 0.00 -3.54 -0.03 0.00 -0.11 0.00 0.00 41.96 38.27 2gju s TYR 32 CO 0.00 -1.40 0.48 -1.21 -1.11 0.00 0.00 175.55 172.31 2gju s GLU 33 N 3.57 4.18 -0.37 -0.62 2.02 -0.45 -3.76 118.70 123.27 2gju s GLU 33 Ca 0.52 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.85 2gju s GLU 33 Cb -0.19 -3.56 0.10 0.00 0.10 0.00 0.00 34.13 30.59 2gju s GLU 33 CO 0.14 -0.12 0.12 0.42 0.02 0.00 0.00 175.26 175.85 2gju s ILE 34 N 1.54 2.82 0.27 -1.63 1.01 -1.26 0.09 121.20 124.04 2gju s ILE 34 Ca 0.22 -2.15 0.01 0.00 0.00 0.00 0.00 60.65 58.73 2gju s ILE 34 Cb -0.15 -2.97 0.07 0.00 0.01 0.00 0.00 42.46 39.42 2gju s ILE 34 CO 0.09 -0.62 1.72 -0.08 0.00 0.00 0.00 174.94 176.06 2gju h GLU 35 N 7.85 0.56 -2.69 2.79 4.81 -1.82 -3.48 114.58 122.61 2gju h GLU 35 Ca -0.10 -0.20 0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2gju h GLU 35 Cb 1.04 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 2gju h GLU 35 CO 0.61 0.74 0.35 -1.59 -0.73 0.00 0.00 179.01 178.38 2gju s LYS 36 N -4.60 1.43 -0.04 1.92 -2.85 -1.26 -4.42 119.74 109.93 2gju s LYS 36 Ca -0.08 -0.75 0.05 0.00 -1.00 0.00 0.00 55.97 54.19 2gju s LYS 36 Cb 0.14 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.41 2gju s LYS 36 CO 0.80 -0.65 -0.18 0.71 0.10 0.00 0.00 175.35 176.13 2gju s TYR 37 N -3.60 1.71 -0.21 1.78 1.51 -0.05 -1.12 117.35 117.37 2gju s TYR 37 Ca 0.10 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2gju s TYR 37 Cb -0.03 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 2gju s TYR 37 CO 0.02 -0.13 -0.08 0.71 -1.11 0.00 0.00 175.55 174.95 2gju s TYR 38 N -0.10 2.91 -0.27 2.71 2.02 0.70 -0.91 117.35 124.41 2gju s TYR 38 Ca -0.01 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 2gju s TYR 38 Cb -0.10 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2gju s TYR 38 CO 0.01 -0.59 -0.06 0.42 -1.57 0.00 0.00 175.55 173.76 2gju s ILE 39 N 1.38 2.63 0.22 2.71 1.01 0.59 -0.66 121.20 129.09 2gju s ILE 39 Ca 0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 2gju s ILE 39 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2gju s ILE 39 CO -0.05 0.00 0.43 -0.76 0.00 0.00 0.00 174.94 174.56 2gju s LEU 40 N 1.21 4.19 1.03 2.97 1.02 0.16 -1.67 118.68 127.59 2gju s LEU 40 Ca -0.05 0.48 -0.17 0.00 0.02 0.00 0.00 54.13 54.41 2gju s LEU 40 Cb -0.19 -3.26 0.22 0.00 0.02 0.00 0.00 46.19 42.98 2gju s LEU 40 CO -0.04 -0.08 1.26 -0.83 0.02 0.00 0.00 176.35 176.68 2gju s GLY 41 N -3.15 1.72 0.25 -3.19 0.00 -0.79 -2.62 107.32 99.55 2gju s GLY 41 Ca 0.40 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 2gju s GLY 41 CO 0.29 -0.31 1.34 -1.31 0.00 0.00 0.00 173.10 173.11 2gju s ASN 42 N -4.59 6.80 -0.12 1.64 0.01 -1.26 -2.23 114.94 115.18 2gju s ASN 42 Ca 0.73 2.56 -0.28 0.00 -0.71 0.00 0.00 52.86 55.16 2gju s ASN 42 Cb -0.06 -2.63 -0.27 0.00 0.41 0.00 0.00 41.25 38.71 2gju s ASN 42 CO 0.54 -0.57 0.80 0.40 -1.51 0.00 0.00 177.10 176.76 2gju h ILE 43 N 3.46 1.75 -4.79 0.60 1.08 -1.88 0.35 117.51 118.08 2gju h ILE 43 Ca -0.46 -2.36 -0.53 0.00 -0.39 0.00 0.00 64.86 61.12 2gju h ILE 43 Cb 1.22 3.35 -0.11 0.00 -3.07 0.00 0.00 36.82 38.20 2gju h ILE 43 CO 0.74 0.62 -0.43 1.33 -0.69 0.00 0.00 178.15 179.72 2gju n VAL 44 N -4.54 0.00 0.00 1.67 0.24 -1.26 -0.57 118.33 113.86 2gju n VAL 44 Ca -0.11 -2.18 0.00 0.00 -2.04 0.00 0.00 64.34 60.01 2gju n VAL 44 Cb 0.53 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2gju n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gju n GLY 45 N -0.54 2.89 0.69 7.63 0.00 -1.26 -4.34 105.19 110.27 2gju n GLY 45 Ca -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 2gju n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gju n LEU 46 N 0.00 0.98 -4.85 0.99 7.94 -1.11 -3.62 117.00 117.33 2gju n LEU 46 Ca 0.00 0.16 -0.34 0.00 -1.11 0.00 0.00 56.01 54.72 2gju n LEU 46 Cb 0.00 -0.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.52 2gju n LEU 46 CO 0.00 -0.08 0.29 -0.36 -1.11 0.00 0.00 177.39 176.14 2gju s PHE 47 N -2.24 3.52 -0.81 1.96 0.08 -0.51 -4.87 117.98 115.11 2gju s PHE 47 Ca -0.13 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.01 2gju s PHE 47 Cb 0.04 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2gju s PHE 47 CO 0.17 0.30 0.06 -0.35 -0.10 0.00 0.00 175.22 175.31 2gju n PRO 48 N 0.30 0.11 -2.21 0.24 -0.04 -1.26 -4.15 135.00 127.99 2gju n PRO 48 Ca -0.01 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.22 2gju n PRO 48 Cb 0.52 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.87 2gju n PRO 48 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gju n TYR 49 N 0.54 2.78 -0.05 0.54 4.01 -0.70 -4.88 117.16 119.39 2gju n TYR 49 Ca 0.00 -2.46 -0.08 0.00 -0.16 0.00 0.00 57.90 55.21 2gju n TYR 49 Cb 0.03 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 38.77 2gju n TYR 49 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2gju h PRO 50 N 2.33 -0.05 -0.32 -0.72 0.13 -1.74 -1.00 132.00 130.63 2gju h PRO 50 Ca 0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.43 2gju h PRO 50 Cb 1.36 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2gju h PRO 50 CO 0.74 -0.03 0.16 0.00 -0.23 0.00 0.00 178.00 178.64 2gju h ARG 51 N -0.05 0.46 -0.71 0.86 3.08 -1.90 -2.47 114.38 113.67 2gju h ARG 51 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2gju h ARG 51 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2gju h ARG 51 CO -0.26 0.42 0.42 0.93 -1.07 0.00 0.00 179.97 180.41 2gju h GLU 52 N 0.39 0.96 0.14 0.04 3.07 -1.90 -1.46 114.58 115.83 2gju h GLU 52 Ca 0.11 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2gju h GLU 52 Cb 0.11 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2gju h GLU 52 CO -0.01 0.68 -0.07 0.28 -1.40 0.00 0.00 179.01 178.49 2gju h VAL 53 N 0.98 0.95 -0.87 3.13 2.07 -0.91 -1.95 116.25 119.64 2gju h VAL 53 Ca 0.25 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2gju h VAL 53 Cb -0.03 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2gju h VAL 53 CO -0.05 0.09 0.50 0.40 0.02 0.00 0.00 177.57 178.53 2gju h ILE 54 N -0.36 1.25 -0.58 4.57 2.04 -1.27 -1.68 117.51 121.48 2gju h ILE 54 Ca -0.02 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2gju h ILE 54 Cb 0.29 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2gju h ILE 54 CO 0.03 0.27 0.38 -0.08 0.00 0.00 0.00 178.15 178.75 2gju h GLU 55 N 1.21 0.77 -0.61 2.37 4.57 -1.21 0.22 114.58 121.89 2gju h GLU 55 Ca 0.31 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2gju h GLU 55 Cb -0.00 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2gju h GLU 55 CO -0.05 0.51 0.36 0.00 -1.18 0.00 0.00 179.01 178.65 2gju h ALA 56 N 1.21 0.78 -0.04 2.92 0.00 -0.91 0.27 119.26 123.49 2gju h ALA 56 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gju h ALA 56 Cb -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2gju h ALA 56 CO -0.05 0.28 0.00 0.82 0.00 0.00 0.00 179.25 180.30 2gju h ILE 57 N 0.83 1.23 -0.44 0.00 2.04 -0.79 -0.35 117.51 120.03 2gju h ILE 57 Ca 0.22 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.45 2gju h ILE 57 Cb 0.01 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2gju h ILE 57 CO -0.04 0.19 0.09 0.11 0.00 0.00 0.00 178.15 178.50 2gju h LYS 58 N -0.22 0.21 -0.83 2.37 1.57 -0.42 0.44 116.57 119.70 2gju h LYS 58 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gju h LYS 58 Cb 0.30 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2gju h LYS 58 CO 0.00 0.14 0.53 -0.91 -0.57 0.00 0.00 179.45 178.64 2gju h ASN 59 N 0.22 0.97 -0.65 0.86 2.35 -0.76 -1.90 115.58 116.68 2gju h ASN 59 Ca 0.22 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2gju h ASN 59 Cb 0.27 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2gju h ASN 59 CO -0.29 0.73 0.10 0.25 -1.65 0.00 0.00 177.43 176.57 2gju h LEU 60 N 1.13 1.05 -2.79 1.61 5.85 -0.42 -2.70 115.31 119.05 2gju h LEU 60 Ca 0.30 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2gju h LEU 60 Cb -0.09 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 2gju h LEU 60 CO -0.06 1.04 0.01 0.00 -0.34 0.00 0.00 178.44 179.10 2gju h ALA 61 N 1.07 1.19 -0.00 1.25 0.00 -0.13 -0.68 119.26 121.97 2gju h ALA 61 Ca 0.20 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2gju h ALA 61 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2gju h ALA 61 CO 0.01 -0.02 -0.75 0.87 0.00 0.00 0.00 179.25 179.36 2gju h LYS 62 N 0.00 0.02 0.00 0.00 1.57 -1.12 -3.33 116.57 113.71 2gju h LYS 62 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gju h LYS 62 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2gju h LYS 62 CO -0.00 0.76 -0.99 0.25 -0.57 0.00 0.00 179.45 178.90 2gju n THR 63 N -3.65 0.00 -4.21 -0.16 -2.24 -0.94 -5.03 114.28 98.04 2gju n THR 63 Ca -0.01 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2gju n THR 63 Cb 0.73 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 2gju n THR 63 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gju s SER 64 N -2.66 1.30 -0.60 3.42 0.01 -0.30 -5.10 113.70 109.77 2gju s SER 64 Ca 0.00 -1.07 -0.27 0.00 1.31 0.00 0.00 55.95 55.93 2gju s SER 64 Cb 0.08 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.43 2gju s SER 64 CO 0.48 -0.48 1.14 0.21 0.41 0.00 0.00 173.24 175.00 2gju s ASN 65 N -3.12 6.37 -0.14 2.44 2.47 -1.26 -4.39 114.94 117.31 2gju s ASN 65 Ca 0.17 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.35 2gju s ASN 65 Cb 0.05 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 2gju s ASN 65 CO -0.01 -1.47 -0.20 -0.69 -3.72 0.00 0.00 177.10 171.02 2gju s VAL 66 N 4.79 2.29 -0.20 -5.21 1.01 -1.26 -0.87 120.40 120.94 2gju s VAL 66 Ca 0.38 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2gju s VAL 66 Cb -0.09 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2gju s VAL 66 CO 0.22 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 175.20 2gju s LYS 67 N 0.79 3.19 0.04 2.72 1.02 -0.09 -4.99 119.74 122.42 2gju s LYS 67 Ca -0.07 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.27 2gju s LYS 67 Cb -0.16 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2gju s LYS 67 CO -0.01 -0.20 -0.21 0.08 -0.92 0.00 0.00 175.35 174.10 2gju s VAL 68 N 1.37 2.60 0.03 3.17 1.01 -1.26 -0.30 120.40 127.02 2gju s VAL 68 Ca 0.05 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.85 2gju s VAL 68 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2gju s VAL 68 CO -0.08 0.37 -0.11 0.27 0.00 0.00 0.00 175.10 175.55 2gju s ILE 69 N -0.87 0.81 0.64 2.22 -4.36 -0.67 -3.99 121.20 114.98 2gju s ILE 69 Ca 0.13 -0.91 -0.13 0.00 -0.26 0.00 0.00 60.65 59.49 2gju s ILE 69 Cb -0.10 -0.77 -0.02 0.00 1.25 0.00 0.00 42.46 42.82 2gju s ILE 69 CO 0.04 -0.11 1.05 0.00 0.24 0.00 0.00 174.94 176.16 2gju s ARG 70 N -1.14 3.18 0.53 0.37 1.70 -0.42 -1.88 118.95 121.29 2gju s ARG 70 Ca -0.02 1.03 0.01 0.00 -0.47 0.00 0.00 55.73 56.28 2gju s ARG 70 Cb -0.08 -2.02 0.01 0.00 -0.57 0.00 0.00 34.95 32.29 2gju s ARG 70 CO 0.01 -0.91 0.06 0.20 -1.08 0.00 0.00 175.30 173.58 2gju s GLY 71 N -3.41 3.02 0.19 3.88 0.00 -1.26 -4.42 107.32 105.33 2gju s GLY 71 Ca 0.60 -0.17 -0.15 0.00 0.00 0.00 0.00 44.72 44.99 2gju s GLY 71 CO 0.47 -2.18 1.65 1.70 0.00 0.00 0.00 173.10 174.73 2gju h LYS 72 N 1.18 -0.01 -0.69 2.90 1.63 -1.89 -0.32 116.57 119.37 2gju h LYS 72 Ca -0.43 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.32 2gju h LYS 72 Cb 1.33 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2gju h LYS 72 CO 0.71 -0.00 0.23 1.88 -3.45 0.00 0.00 179.45 178.81 2gju h TYR 73 N -0.01 1.08 -0.61 1.91 0.05 -1.95 -1.01 116.97 116.43 2gju h TYR 73 Ca 0.25 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 2gju h TYR 73 Cb 0.38 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2gju h TYR 73 CO -0.44 0.85 0.11 -0.44 -1.05 0.00 0.00 178.16 177.19 2gju h ASP 74 N 1.02 0.95 -0.69 3.88 3.32 -1.57 -2.79 116.42 120.54 2gju h ASP 74 Ca 0.23 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2gju h ASP 74 Cb 0.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2gju h ASP 74 CO -0.01 0.96 0.28 -0.61 -1.72 0.00 0.00 179.24 178.15 2gju h GLN 75 N 0.90 1.03 0.00 3.56 5.75 -0.65 0.59 115.11 126.29 2gju h GLN 75 Ca 0.19 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2gju h GLN 75 Cb 0.41 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 2gju h GLN 75 CO 0.01 0.85 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.94 2gju h LEU 76 N 0.98 0.00 0.00 -2.39 3.38 -0.93 -0.42 115.31 115.93 2gju h LEU 76 Ca 0.23 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.97 2gju h LEU 76 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2gju h LEU 76 CO -0.02 0.03 -1.25 0.40 0.09 0.00 0.00 178.44 177.69 2gju h ILE 77 N 0.00 0.93 -0.42 1.22 2.04 -1.27 -3.39 117.51 116.62 2gju h ILE 77 Ca -0.00 -2.19 0.07 0.00 1.00 0.00 0.00 64.86 63.75 2gju h ILE 77 Cb 0.08 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2gju h ILE 77 CO 0.00 0.33 0.29 0.00 0.00 0.00 0.00 178.15 178.77 2gju h ALA 78 N -0.47 2.07 0.00 1.87 0.00 -0.64 -2.42 119.26 119.67 2gju h ALA 78 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2gju h ALA 78 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2gju h ALA 78 CO -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.89 2gju n MET 79 N -4.47 0.17 -2.07 0.00 0.00 -0.19 -4.84 117.12 105.72 2gju n MET 79 Ca 0.06 0.39 -0.36 0.00 0.00 0.00 0.00 57.70 57.79 2gju n MET 79 Cb 0.31 -1.82 0.02 0.00 0.00 0.00 0.00 33.22 31.73 2gju n MET 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2gju s SER 80 N -4.10 5.46 0.02 3.17 1.04 -0.91 -4.91 113.70 113.47 2gju s SER 80 Ca 0.05 2.38 -0.36 0.00 0.48 0.00 0.00 55.95 58.50 2gju s SER 80 Cb 0.09 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.47 2gju s SER 80 CO 0.38 -1.41 1.60 -0.67 0.98 0.00 0.00 173.24 174.12 2gju n ASP 81 N -1.28 2.66 -0.22 7.02 -0.08 -1.26 -4.81 116.55 118.57 2gju n ASP 81 Ca 0.12 1.07 0.28 0.00 -1.51 0.00 0.00 54.79 54.75 2gju n ASP 81 Cb 0.49 -1.31 0.69 0.00 2.34 0.00 0.00 41.12 43.33 2gju n ASP 81 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gju h PRO 82 N 6.44 0.08 -0.59 -0.67 0.11 -1.93 -0.96 132.00 134.48 2gju h PRO 82 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gju h PRO 82 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2gju h PRO 82 CO 0.88 0.05 0.00 0.72 -0.21 0.00 0.00 178.00 179.44 2gju n HIS 83 N -4.31 1.04 -1.73 0.65 8.25 -1.26 -5.00 115.22 112.87 2gju n HIS 83 Ca 0.20 -0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 2gju n HIS 83 Cb 0.98 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 2gju n HIS 83 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gju n ALA 84 N 1.09 2.24 0.13 -1.41 0.00 -0.37 -4.89 120.51 117.31 2gju n ALA 84 Ca 0.22 0.38 0.06 0.00 0.00 0.00 0.00 53.44 54.11 2gju n ALA 84 Cb 0.69 -2.43 0.04 0.00 0.00 0.00 0.00 19.45 17.75 2gju n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2gju h GLY 85 N 4.85 0.00 -3.21 0.00 0.00 -1.94 -3.47 103.07 99.30 2gju h GLY 85 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2gju h GLY 85 CO 0.80 0.00 -0.51 0.51 0.00 0.00 0.00 176.54 177.35 2gju s ASP 86 N -6.06 0.28 -0.42 0.19 1.47 -1.26 -5.04 116.67 105.83 2gju s ASP 86 Ca 0.03 -0.80 0.01 0.00 1.18 0.00 0.00 52.55 52.96 2gju s ASP 86 Cb 0.07 0.28 0.42 0.00 -0.34 0.00 0.00 42.92 43.35 2gju s ASP 86 CO 0.75 -0.67 1.86 -0.81 0.68 0.00 0.00 175.17 176.97 2gju n PRO 87 N 0.03 2.10 0.12 2.11 -0.04 -1.26 -4.58 135.00 133.47 2gju n PRO 87 Ca -0.15 -2.36 0.05 0.00 -0.04 0.00 0.00 63.50 61.01 2gju n PRO 87 Cb 0.62 -1.92 0.50 0.00 -0.04 0.00 0.00 33.50 32.65 2gju n PRO 87 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2gju h LYS 88 N 1.24 0.29 -0.86 0.54 6.56 -1.99 -2.61 116.57 119.74 2gju h LYS 88 Ca 0.47 -0.03 0.25 0.00 -1.06 0.00 0.00 60.65 60.28 2gju h LYS 88 Cb 1.65 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 33.22 2gju h LYS 88 CO 1.01 0.23 0.65 0.10 -2.06 0.00 0.00 179.45 179.39 2gju h TYR 89 N 0.29 0.00 -0.21 -1.35 -0.00 -2.03 -0.24 116.97 113.43 2gju h TYR 89 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.83 2gju h TYR 89 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.76 2gju h TYR 89 CO 0.00 0.00 0.14 0.82 -0.00 0.00 0.00 178.16 179.13 2gju h ILE 90 N 0.00 1.01 0.00 -0.90 2.04 -1.85 -2.35 117.51 115.46 2gju h ILE 90 Ca 0.41 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.20 2gju h ILE 90 Cb 1.71 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2gju h ILE 90 CO -0.00 0.04 0.00 0.44 0.00 0.00 0.00 178.15 178.62 2gju h ASP 91 N 0.21 0.00 0.85 1.72 3.32 -1.25 -2.43 116.42 118.85 2gju h ASP 91 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2gju h ASP 91 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2gju h ASP 91 CO -0.02 0.00 -0.65 0.11 -1.72 0.00 0.00 179.24 176.97 2gju h LYS 92 N 0.00 0.00 -7.00 3.56 1.57 -1.58 -3.47 116.57 109.66 2gju h LYS 92 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2gju h LYS 92 Cb 0.42 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.80 2gju h LYS 92 CO 0.00 0.00 0.50 -0.51 -0.57 0.00 0.00 179.45 178.87 2gju s LEU 93 N -4.25 4.03 -1.35 2.94 1.43 -0.92 -4.92 118.68 115.65 2gju s LEU 93 Ca 0.06 2.37 -0.15 0.00 -1.03 0.00 0.00 54.13 55.37 2gju s LEU 93 Cb 0.13 -4.20 0.08 0.00 0.03 0.00 0.00 46.19 42.23 2gju s LEU 93 CO 0.73 -0.94 1.89 -0.62 0.23 0.00 0.00 176.35 177.64 2gju n GLU 94 N -0.43 3.13 -4.10 1.70 -0.58 -1.26 -4.91 120.64 114.19 2gju n GLU 94 Ca 0.07 -3.12 -0.07 0.00 -0.42 0.00 0.00 57.16 53.61 2gju n GLU 94 Cb 0.47 -3.32 -0.10 0.00 -0.57 0.00 0.00 31.44 27.92 2gju n GLU 94 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2gju s ILE 95 N 3.21 0.21 0.83 -3.67 -4.36 -1.26 -5.15 121.20 111.01 2gju s ILE 95 Ca 0.49 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 2gju s ILE 95 Cb 0.07 -1.61 0.08 0.00 1.25 0.00 0.00 42.46 42.26 2gju s ILE 95 CO 0.00 -0.91 1.10 -2.65 0.24 0.00 0.00 174.94 172.72 2gju n PRO 96 N 0.08 0.05 -0.13 0.37 -0.02 -1.26 -4.82 135.00 129.27 2gju n PRO 96 Ca -0.13 0.09 -0.06 0.00 -2.02 0.00 0.00 63.50 61.39 2gju n PRO 96 Cb 0.61 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2gju n PRO 96 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2gju h ASP 97 N -1.08 0.30 -0.95 2.55 3.45 -2.00 -2.53 116.42 116.15 2gju h ASP 97 Ca -0.45 0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.07 2gju h ASP 97 Cb 1.30 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.98 2gju h ASP 97 CO 0.44 0.22 0.62 1.12 -1.57 0.00 0.00 179.24 180.07 2gju h HIS 98 N 0.42 1.14 -0.47 4.55 2.07 -2.00 -2.01 115.15 118.85 2gju h HIS 98 Ca 0.18 0.03 -0.11 0.00 -2.85 0.00 0.00 60.37 57.62 2gju h HIS 98 Cb 0.09 -0.38 -0.02 0.00 2.57 0.00 0.00 27.41 29.67 2gju h HIS 98 CO -0.10 0.64 -0.15 1.25 -3.07 0.00 0.00 177.93 176.49 2gju h LEU 99 N 1.16 0.90 -0.45 6.12 5.85 -1.86 -0.82 115.31 126.22 2gju h LEU 99 Ca 0.39 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2gju h LEU 99 Cb 0.07 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2gju h LEU 99 CO -0.13 1.05 0.17 0.11 -0.34 0.00 0.00 178.44 179.30 2gju h LYS 100 N 0.79 0.33 0.21 1.25 1.57 -0.97 0.23 116.57 119.99 2gju h LYS 100 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2gju h LYS 100 Cb 0.69 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2gju h LYS 100 CO 0.05 0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 179.05 2gju h ALA 101 N 1.29 -0.28 -0.48 3.86 0.00 -0.98 -0.13 119.26 122.54 2gju h ALA 101 Ca 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2gju h ALA 101 Cb 0.19 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2gju h ALA 101 CO -0.20 -0.65 0.01 1.79 0.00 0.00 0.00 179.25 180.19 2gju h THR 102 N -0.28 1.24 -0.15 0.00 1.35 -0.83 0.02 112.91 114.26 2gju h THR 102 Ca -0.03 -0.98 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 2gju h THR 102 Cb 0.21 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2gju h THR 102 CO 0.05 0.35 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.40 2gju h LEU 103 N 0.73 0.43 -0.59 3.87 3.38 -0.43 0.62 115.31 123.33 2gju h LEU 103 Ca 0.15 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2gju h LEU 103 Cb 0.43 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2gju h LEU 103 CO 0.02 0.85 0.35 0.11 0.09 0.00 0.00 178.44 179.86 2gju h LYS 104 N 0.03 0.68 -0.15 1.13 1.57 -0.88 0.46 116.57 119.40 2gju h LYS 104 Ca 0.02 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2gju h LYS 104 Cb 0.74 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2gju h LYS 104 CO 0.04 0.45 0.04 -0.92 -0.57 0.00 0.00 179.45 178.49 2gju h TYR 105 N 0.70 0.07 -0.60 -1.35 3.20 -0.90 -2.07 116.97 116.03 2gju h TYR 105 Ca 0.24 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2gju h TYR 105 Cb 0.04 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2gju h TYR 105 CO -0.06 0.03 0.28 1.15 -1.64 0.00 0.00 178.16 177.93 2gju h THR 106 N 0.11 1.21 -0.46 1.81 2.02 -0.10 -0.59 112.91 116.91 2gju h THR 106 Ca 0.06 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.71 2gju h THR 106 Cb 0.04 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 2gju h THR 106 CO -0.07 0.25 0.11 -0.25 0.37 0.00 0.00 175.52 175.93 2gju h TRP 107 N 0.82 0.19 -0.02 3.16 7.01 0.21 -0.58 115.95 126.74 2gju h TRP 107 Ca 0.21 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 2gju h TRP 107 Cb 0.13 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2gju h TRP 107 CO 0.00 0.03 -0.01 0.93 -2.79 0.00 0.00 178.44 176.61 2gju h GLU 108 N 0.26 0.04 -0.02 2.65 5.08 -1.10 -3.18 114.58 118.30 2gju h GLU 108 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2gju h GLU 108 Cb 0.27 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2gju h GLU 108 CO -0.27 0.42 -0.03 0.87 -1.00 0.00 0.00 179.01 178.99 2gju h LYS 109 N -0.34 0.03 -0.42 2.33 6.56 -0.91 -2.51 116.57 121.30 2gju h LYS 109 Ca 0.00 -0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 2gju h LYS 109 Cb 0.40 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 2gju h LYS 109 CO 0.00 0.06 -0.18 -0.07 -2.06 0.00 0.00 179.45 177.21 2gju h LEU 110 N 0.03 0.82 0.00 2.94 3.38 -1.10 -3.46 115.31 117.92 2gju h LEU 110 Ca 0.01 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2gju h LEU 110 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2gju h LEU 110 CO 0.00 0.99 -0.10 0.61 0.09 0.00 0.00 178.44 180.03 2gju n GLY 111 N -0.29 -2.14 0.13 0.83 0.00 -0.95 -1.99 105.19 100.78 2gju n GLY 111 Ca 0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2gju n GLY 111 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gju h HIS 112 N -0.26 0.34 -0.94 1.61 2.76 -1.91 -1.86 115.15 114.89 2gju h HIS 112 Ca 0.01 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.21 2gju h HIS 112 Cb 0.26 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 2gju h HIS 112 CO 0.00 0.42 0.59 1.49 -1.30 0.00 0.00 177.93 179.13 2gju h GLU 113 N 0.16 1.03 -0.25 5.26 4.81 -2.00 0.88 114.58 124.47 2gju h GLU 113 Ca 0.07 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2gju h GLU 113 Cb 0.24 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2gju h GLU 113 CO -0.00 0.68 -0.58 0.78 -0.73 0.00 0.00 179.01 179.16 2gju h GLY 114 N 1.06 0.92 1.05 1.92 0.00 -1.30 -2.19 103.07 104.53 2gju h GLY 114 Ca 0.41 -1.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 2gju h GLY 114 CO -0.18 1.01 0.19 3.21 0.00 0.00 0.00 176.54 180.77 2gju h ARG 115 N 0.61 1.10 -0.26 4.80 3.08 -0.85 -2.40 114.38 120.45 2gju h ARG 115 Ca -0.00 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 2gju h ARG 115 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2gju h ARG 115 CO 0.13 0.96 -0.12 0.93 -1.07 0.00 0.00 179.97 180.80 2gju h GLU 116 N 1.03 0.42 -0.83 0.04 4.39 -0.79 -2.07 114.58 116.78 2gju h GLU 116 Ca 0.22 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2gju h GLU 116 Cb 0.34 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2gju h GLU 116 CO -0.00 0.55 0.48 -0.92 -1.16 0.00 0.00 179.01 177.95 2gju h TYR 117 N 0.40 1.11 -0.43 4.33 5.03 -0.90 -1.98 116.97 124.52 2gju h TYR 117 Ca 0.08 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.27 2gju h TYR 117 Cb 0.45 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 2gju h TYR 117 CO 0.01 0.75 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.39 2gju h LEU 118 N 1.14 0.81 -2.08 2.82 3.38 -1.15 -2.70 115.31 117.53 2gju h LEU 118 Ca 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2gju h LEU 118 Cb -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2gju h LEU 118 CO -0.05 0.96 -0.08 0.03 0.09 0.00 0.00 178.44 179.39 2gju h ARG 119 N 0.72 0.00 0.00 1.13 3.08 -0.72 -1.96 114.38 116.64 2gju h ARG 119 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2gju h ARG 119 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2gju h ARG 119 CO 0.05 0.08 -0.47 -0.25 -1.07 0.00 0.00 179.97 178.31 2gju n ASP 120 N -3.57 0.56 -4.73 7.04 8.00 -0.81 -4.90 116.55 118.13 2gju n ASP 120 Ca -0.02 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 2gju n ASP 120 Cb 0.20 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2gju n ASP 120 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gju s LEU 121 N -3.69 4.39 0.83 0.64 1.43 -0.74 -5.00 118.68 116.55 2gju s LEU 121 Ca 0.09 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2gju s LEU 121 Cb 0.15 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.86 2gju s LEU 121 CO 0.68 -0.65 1.09 -2.84 0.23 0.00 0.00 176.35 174.86 2gju s PRO 122 N 0.17 1.78 -0.18 1.29 0.02 -1.26 -4.63 135.00 132.20 2gju s PRO 122 Ca 0.61 1.01 0.03 0.00 0.02 0.00 0.00 61.00 62.67 2gju s PRO 122 Cb -0.40 -1.85 -0.22 0.00 0.02 0.00 0.00 34.50 32.05 2gju s PRO 122 CO 0.38 -1.93 0.09 -0.89 -0.33 0.00 0.00 177.00 174.32 2gju n ILE 123 N -3.70 1.58 -4.68 2.83 5.41 -1.26 -1.31 119.36 118.23 2gju n ILE 123 Ca 0.08 -0.66 -0.33 0.00 1.00 0.00 0.00 62.75 62.84 2gju n ILE 123 Cb 0.54 -1.33 -0.12 0.00 -0.71 0.00 0.00 39.64 38.02 2gju n ILE 123 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2gju s TYR 124 N -2.54 2.83 -0.24 1.39 2.02 -1.26 -4.57 117.35 114.99 2gju s TYR 124 Ca -0.24 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.33 2gju s TYR 124 Cb 0.08 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 2gju s TYR 124 CO 0.71 0.29 0.04 -1.17 -1.57 0.00 0.00 175.55 173.85 2gju s LEU 125 N -0.93 3.34 -0.18 -1.29 2.96 -0.26 -4.96 118.68 117.36 2gju s LEU 125 Ca 0.13 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2gju s LEU 125 Cb -0.11 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2gju s LEU 125 CO 0.02 -0.01 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.35 2gju s VAL 126 N 1.48 0.79 0.19 1.68 1.01 -1.26 -0.36 120.40 123.94 2gju s VAL 126 Ca 0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2gju s VAL 126 Cb -0.15 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2gju s VAL 126 CO 0.02 -0.04 0.36 -0.67 0.00 0.00 0.00 175.10 174.76 2gju n ASP 127 N 4.97 -1.03 -4.41 3.32 2.03 -0.95 -5.02 116.55 115.46 2gju n ASP 127 Ca -0.10 -1.80 -0.21 0.00 0.52 0.00 0.00 54.79 53.20 2gju n ASP 127 Cb 0.47 1.74 -0.10 0.00 -0.72 0.00 0.00 41.12 42.52 2gju n ASP 127 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2gju s LYS 128 N -2.11 1.50 -0.29 -0.67 1.02 -1.26 0.28 119.74 118.21 2gju s LYS 128 Ca 0.09 -1.68 0.02 0.00 0.02 0.00 0.00 55.97 54.41 2gju s LYS 128 Cb -0.02 -1.40 0.08 0.00 -0.52 0.00 0.00 37.83 35.97 2gju s LYS 128 CO 0.07 0.23 0.00 0.42 -0.92 0.00 0.00 175.35 175.15 2gju s ILE 129 N -2.78 1.76 0.00 2.17 1.01 0.10 -4.87 121.20 118.59 2gju s ILE 129 Ca 0.26 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.21 2gju s ILE 129 Cb -0.02 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2gju s ILE 129 CO 0.11 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.29 2gju n GLY 130 N 4.52 2.80 0.01 6.18 0.00 -1.25 -2.33 105.19 115.11 2gju n GLY 130 Ca -0.05 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.85 2gju n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gju n LYS 131 N 13.17 0.05 -2.99 1.61 2.85 -1.26 -4.91 118.16 126.67 2gju n LYS 131 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 2gju n LYS 131 Cb 0.00 -1.52 -0.05 0.00 -0.65 0.00 0.00 35.03 32.82 2gju n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2gju s ASN 132 N -3.16 6.89 0.20 -5.58 0.01 -0.98 -5.05 114.94 107.28 2gju s ASN 132 Ca 0.09 1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 53.03 2gju s ASN 132 Cb 0.17 -2.41 -0.08 0.00 0.41 0.00 0.00 41.25 39.33 2gju s ASN 132 CO 0.76 -0.28 1.06 -1.61 -1.51 0.00 0.00 177.10 175.51 2gju s GLU 133 N 1.70 4.66 0.12 -0.60 2.02 -1.26 0.02 118.70 125.36 2gju s GLU 133 Ca 0.36 1.67 0.05 0.00 0.02 0.00 0.00 54.97 57.06 2gju s GLU 133 Cb -0.17 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2gju s GLU 133 CO 0.14 0.19 -0.11 0.96 0.02 0.00 0.00 175.26 176.45 2gju s ILE 134 N -0.55 1.14 0.00 -1.63 -5.25 0.14 -0.71 121.20 114.34 2gju s ILE 134 Ca 0.47 -1.82 0.03 0.00 -0.99 0.00 0.00 60.65 58.34 2gju s ILE 134 Cb -0.29 -1.59 -0.01 0.00 2.95 0.00 0.00 42.46 43.52 2gju s ILE 134 CO 0.35 -0.59 -0.10 0.12 -1.79 0.00 0.00 174.94 172.94 2gju s PHE 135 N -2.68 0.86 0.01 1.37 2.19 -0.70 -2.23 117.98 116.79 2gju s PHE 135 Ca 0.11 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.17 2gju s PHE 135 Cb -0.01 -0.54 -0.01 0.00 -1.31 0.00 0.00 43.02 41.14 2gju s PHE 135 CO 0.01 -0.01 -0.02 0.20 1.83 0.00 0.00 175.22 177.23 2gju s GLY 136 N -0.42 0.12 0.03 13.12 0.00 0.52 -0.53 107.32 120.15 2gju s GLY 136 Ca 0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 2gju s GLY 136 CO -0.00 -0.23 0.40 0.54 0.00 0.00 0.00 173.10 173.81 2gju s VAL 137 N -0.45 0.06 0.03 1.40 0.11 -0.47 -1.11 120.40 119.97 2gju s VAL 137 Ca -0.04 -0.46 -0.26 0.00 -2.93 0.00 0.00 61.98 58.29 2gju s VAL 137 Cb -0.03 -0.90 -0.14 0.00 -1.53 0.00 0.00 36.38 33.78 2gju s VAL 137 CO -0.00 -0.25 1.22 0.22 -3.33 0.00 0.00 175.10 172.95 2gju h TYR 138 N 3.18 -0.87 0.00 1.54 5.03 -1.80 -3.28 116.97 120.76 2gju h TYR 138 Ca -0.31 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2gju h TYR 138 Cb 1.20 0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.76 2gju h TYR 138 CO 0.43 -0.54 0.00 0.41 -1.32 0.00 0.00 178.16 177.14 2gju n GLY 139 N -0.98 1.08 3.34 1.82 0.00 0.25 -1.53 105.19 109.18 2gju n GLY 139 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2gju n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gju s SER 140 N -1.04 -0.28 0.35 1.61 1.04 -0.97 -4.14 113.70 110.27 2gju s SER 140 Ca 0.00 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.21 2gju s SER 140 Cb 0.00 0.49 0.72 0.00 0.10 0.00 0.00 66.02 67.33 2gju s SER 140 CO 0.00 -0.88 1.93 -0.65 0.98 0.00 0.00 173.24 174.62 2gju h PRO 141 N 2.31 0.77 -0.17 4.02 0.11 -1.94 -2.00 132.00 135.11 2gju h PRO 141 Ca -0.34 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 2gju h PRO 141 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2gju h PRO 141 CO 0.45 0.51 -0.58 0.28 -0.21 0.00 0.00 178.00 178.45 2gju h VAL 142 N 0.80 1.33 -2.36 3.15 2.07 -1.96 -3.41 116.25 115.87 2gju h VAL 142 Ca 0.36 -1.86 -0.45 0.00 0.82 0.00 0.00 66.70 65.58 2gju h VAL 142 Cb 0.36 1.83 -0.36 0.00 -1.52 0.00 0.00 31.29 31.61 2gju h VAL 142 CO -0.14 0.57 -0.73 0.21 0.02 0.00 0.00 177.57 177.50 2gju s ASN 143 N -6.93 2.31 0.28 0.57 3.84 -0.80 -5.02 114.94 109.19 2gju s ASN 143 Ca -0.07 -1.43 -0.01 0.00 0.21 0.00 0.00 52.86 51.56 2gju s ASN 143 Cb 0.11 0.10 0.62 0.00 -0.55 0.00 0.00 41.25 41.53 2gju s ASN 143 CO 0.84 -0.35 1.63 -0.65 -2.79 0.00 0.00 177.10 175.78 2gju h PRO 144 N 7.70 0.14 0.00 0.43 0.11 -1.68 0.14 132.00 138.84 2gju h PRO 144 Ca -0.06 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.72 2gju h PRO 144 Cb 1.03 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 2gju h PRO 144 CO 0.31 0.09 -2.23 1.19 -0.21 0.00 0.00 178.00 177.16 2gju n PHE 145 N -5.30 0.00 0.68 0.65 3.72 -1.26 0.88 117.46 116.83 2gju n PHE 145 Ca 0.19 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.66 2gju n PHE 145 Cb 0.62 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 2gju n PHE 145 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gju n ASP 146 N -2.65 1.65 -4.77 4.37 10.43 -1.22 -4.61 116.55 119.75 2gju n ASP 146 Ca -0.29 -1.32 -0.38 0.00 2.57 0.00 0.00 54.79 55.37 2gju n ASP 146 Cb 1.07 0.42 -0.06 0.00 1.84 0.00 0.00 41.12 44.39 2gju n ASP 146 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2gju s GLY 147 N -1.78 2.91 -0.10 0.44 0.00 -0.00 -5.00 107.32 103.78 2gju s GLY 147 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2gju s GLY 147 CO 0.37 1.02 -0.10 1.85 0.00 0.00 0.00 173.10 176.24 2gju s GLU 148 N -1.69 1.67 -0.35 2.90 2.12 -1.26 -3.65 118.70 118.43 2gju s GLU 148 Ca 0.46 -0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.32 2gju s GLU 148 Cb -0.21 -1.60 -0.01 0.00 0.26 0.00 0.00 34.13 32.56 2gju s GLU 148 CO 0.27 -0.18 0.25 0.42 -0.54 0.00 0.00 175.26 175.48 2gju s ILE 149 N 1.40 5.28 0.49 -3.70 1.01 -1.26 -5.00 121.20 119.42 2gju s ILE 149 Ca -0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 2gju s ILE 149 Cb -0.13 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 2gju s ILE 149 CO -0.05 -0.07 1.14 -0.76 0.00 0.00 0.00 174.94 175.20 2gju s LEU 150 N 1.72 3.90 0.47 2.97 1.43 -1.26 -2.62 118.68 125.29 2gju s LEU 150 Ca 0.06 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2gju s LEU 150 Cb -0.18 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2gju s LEU 150 CO 0.10 -1.03 0.73 -2.16 0.23 0.00 0.00 176.35 174.23 2gju s PRO 151 N -2.95 3.24 -1.35 1.29 0.04 -1.26 -4.51 135.00 129.50 2gju s PRO 151 Ca 0.67 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 2gju s PRO 151 Cb -0.26 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2gju s PRO 151 CO 0.31 -0.27 0.83 -3.47 0.04 0.00 0.00 177.00 174.44 2gju n ASP 152 N -2.19 -2.42 -4.76 6.66 2.03 -1.26 -5.02 116.55 109.60 2gju n ASP 152 Ca 0.01 -0.77 -0.23 0.00 0.52 0.00 0.00 54.79 54.32 2gju n ASP 152 Cb 0.57 -4.23 -0.06 0.00 -0.72 0.00 0.00 41.12 36.68 2gju n ASP 152 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2gju s GLN 153 N -6.06 2.37 0.74 -0.67 -1.52 -1.26 -5.11 119.66 108.15 2gju s GLN 153 Ca 0.19 -1.61 -0.11 0.00 -1.95 0.00 0.00 55.36 51.88 2gju s GLN 153 Cb -0.09 -2.17 0.04 0.00 -0.22 0.00 0.00 33.01 30.57 2gju s GLN 153 CO 0.80 0.02 1.08 -1.25 -0.25 0.00 0.00 175.29 175.69 2gju s PRO 154 N -3.90 2.48 0.30 2.91 0.04 -1.26 -4.91 135.00 130.66 2gju s PRO 154 Ca 0.40 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.63 2gju s PRO 154 Cb -0.01 -1.93 0.78 0.00 0.04 0.00 0.00 34.50 33.39 2gju s PRO 154 CO 0.23 -1.47 1.74 1.15 0.04 0.00 0.00 177.00 178.69 2gju h THR 155 N -0.93 0.58 -0.54 1.26 2.02 -1.99 -1.00 112.91 112.31 2gju h THR 155 Ca -0.44 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 66.63 2gju h THR 155 Cb 1.23 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2gju h THR 155 CO 0.53 0.11 0.36 0.77 0.37 0.00 0.00 175.52 177.66 2gju h SER 156 N 0.59 0.33 -0.18 4.18 4.64 -1.96 0.87 113.55 122.02 2gju h SER 156 Ca 0.59 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.91 2gju h SER 156 Cb 1.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2gju h SER 156 CO -0.46 0.21 0.08 0.22 -0.87 0.00 0.00 176.83 176.01 2gju h TYR 157 N 0.38 0.27 -0.08 4.77 3.20 -1.53 -2.45 116.97 121.52 2gju h TYR 157 Ca 0.25 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 2gju h TYR 157 Cb 0.48 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2gju h TYR 157 CO -0.00 0.31 -0.62 1.88 -1.64 0.00 0.00 178.16 178.09 2gju h TYR 158 N 0.14 0.36 -0.71 -3.82 0.05 -1.35 -3.04 116.97 108.61 2gju h TYR 158 Ca 0.06 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2gju h TYR 158 Cb 0.16 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 2gju h TYR 158 CO -0.02 0.83 0.45 1.49 -1.05 0.00 0.00 178.16 179.86 2gju h GLU 159 N 0.21 0.88 -0.00 4.88 4.81 -0.71 0.12 114.58 124.76 2gju h GLU 159 Ca -0.01 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2gju h GLU 159 Cb 1.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2gju h GLU 159 CO 0.10 0.58 -0.38 0.00 -0.73 0.00 0.00 179.01 178.58 2gju h ALA 160 N 1.28 1.36 0.03 2.92 0.00 -1.40 -2.04 119.26 121.41 2gju h ALA 160 Ca 0.27 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2gju h ALA 160 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2gju h ALA 160 CO -0.09 0.48 -0.97 0.82 0.00 0.00 0.00 179.25 179.49 2gju h ILE 161 N 0.01 1.54 0.00 0.00 2.04 -1.17 -3.29 117.51 116.63 2gju h ILE 161 Ca -0.00 -2.86 -0.14 0.00 1.00 0.00 0.00 64.86 62.86 2gju h ILE 161 Cb 0.68 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 2gju h ILE 161 CO 0.05 0.83 -0.66 -0.03 0.00 0.00 0.00 178.15 178.34 2gju h MET 162 N 0.08 0.00 -0.64 2.37 4.05 -0.57 -3.37 114.93 116.85 2gju h MET 162 Ca -0.06 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.50 2gju h MET 162 Cb 1.65 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.34 2gju h MET 162 CO 0.15 0.66 0.03 -0.09 0.23 0.00 0.00 176.91 177.89 2gju h ARG 163 N 0.00 0.14 0.00 0.39 2.43 -1.44 0.17 114.38 116.07 2gju h ARG 163 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2gju h ARG 163 Cb 1.44 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2gju h ARG 163 CO 0.09 0.09 0.00 -2.30 -1.51 0.00 0.00 179.97 176.34 2gju n PRO 164 N -5.26 0.09 -1.53 0.20 -0.02 -1.26 -2.11 135.00 125.11 2gju n PRO 164 Ca 0.10 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2gju n PRO 164 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.42 2gju n PRO 164 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2gju n VAL 165 N -1.38 0.89 0.32 -1.45 0.24 -0.10 -4.86 118.33 112.00 2gju n VAL 165 Ca 0.04 -2.05 0.04 0.00 -2.04 0.00 0.00 64.34 60.33 2gju n VAL 165 Cb 0.10 0.61 0.19 0.00 -1.47 0.00 0.00 33.84 33.27 2gju n VAL 165 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2gju n LYS 166 N -0.14 0.02 0.05 7.34 2.85 -0.35 -1.65 118.16 126.28 2gju n LYS 166 Ca 0.12 0.33 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 2gju n LYS 166 Cb 0.97 -1.50 0.47 0.00 -0.65 0.00 0.00 35.03 34.32 2gju n LYS 166 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gju n GLU 167 N -1.46 0.10 -4.04 -1.58 4.71 -1.26 -4.75 120.64 112.35 2gju n GLU 167 Ca 0.02 0.19 -0.33 0.00 -0.01 0.00 0.00 57.16 57.04 2gju n GLU 167 Cb 0.09 -1.64 -0.06 0.00 -1.01 0.00 0.00 31.44 28.82 2gju n GLU 167 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2gju s TYR 168 N -3.08 3.36 0.26 -0.32 1.51 -0.66 -4.91 117.35 113.52 2gju s TYR 168 Ca 0.10 0.26 0.10 0.00 -1.01 0.00 0.00 57.07 56.52 2gju s TYR 168 Cb 0.13 -1.77 0.32 0.00 -0.11 0.00 0.00 41.96 40.54 2gju s TYR 168 CO 0.45 0.58 1.59 0.93 -1.11 0.00 0.00 175.55 178.00 2gju h GLU 169 N 4.06 0.00 -3.35 -0.62 4.39 -1.21 -3.43 114.58 114.42 2gju h GLU 169 Ca -0.49 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.02 2gju h GLU 169 Cb 1.19 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.57 2gju h GLU 169 CO 0.64 0.64 -0.54 1.41 -1.16 0.00 0.00 179.01 180.00 2gju s MET 170 N -3.56 0.18 -0.21 2.33 1.75 -1.23 -1.22 119.30 117.34 2gju s MET 170 Ca -0.01 0.23 -0.03 0.00 -1.25 0.00 0.00 55.69 54.63 2gju s MET 170 Cb 0.13 0.07 -0.00 0.00 2.84 0.00 0.00 34.83 37.87 2gju s MET 170 CO 0.77 -0.03 -0.08 -1.17 -0.65 0.00 0.00 175.02 173.86 2gju s LEU 171 N 0.15 2.75 -0.21 4.11 2.96 0.15 -1.73 118.68 126.86 2gju s LEU 171 Ca -0.01 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2gju s LEU 171 Cb -0.02 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2gju s LEU 171 CO -0.00 -0.00 0.06 -0.76 -1.32 0.00 0.00 176.35 174.32 2gju s LEU 172 N 1.36 3.64 0.07 -0.68 1.43 0.31 -0.04 118.68 124.77 2gju s LEU 172 Ca 0.04 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2gju s LEU 172 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2gju s LEU 172 CO -0.04 0.10 -0.06 0.68 0.23 0.00 0.00 176.35 177.25 2gju s VAL 173 N 0.84 0.53 -0.12 -1.59 -7.23 -0.40 -1.36 120.40 111.07 2gju s VAL 173 Ca 0.03 -1.61 0.15 0.00 -1.81 0.00 0.00 61.98 58.74 2gju s VAL 173 Cb -0.14 -1.26 -0.21 0.00 0.56 0.00 0.00 36.38 35.33 2gju s VAL 173 CO 0.02 -0.74 0.13 0.00 -0.31 0.00 0.00 175.10 174.21 2gju n ALA 174 N 0.51 1.86 -0.26 1.32 0.00 -0.58 -4.24 120.51 119.12 2gju n ALA 174 Ca -0.16 -0.89 0.30 0.00 0.00 0.00 0.00 53.44 52.69 2gju n ALA 174 Cb 0.59 -0.21 0.69 0.00 0.00 0.00 0.00 19.45 20.52 2gju n ALA 174 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gju h SER 175 N 0.00 0.09 0.08 0.00 4.64 -1.54 -1.80 113.55 115.02 2gju h SER 175 Ca -0.32 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2gju h SER 175 Cb 1.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2gju h SER 175 CO 0.02 0.02 -0.05 -0.65 -0.87 0.00 0.00 176.83 175.30 2gju h PRO 176 N 0.08 0.00 0.00 4.77 0.11 -1.77 -3.43 132.00 131.77 2gju h PRO 176 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 2gju h PRO 176 Cb 1.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.98 2gju h PRO 176 CO -0.06 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 178.32 2gju n ARG 177 N -4.24 0.00 -4.42 1.05 5.12 -0.68 -4.43 116.66 109.07 2gju n ARG 177 Ca -0.03 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.65 2gju n ARG 177 Cb 0.14 -1.98 -0.10 0.00 -1.16 0.00 0.00 32.46 29.36 2gju n ARG 177 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2gju s TYR 178 N -0.51 2.38 0.22 -1.55 2.02 -1.26 -2.77 117.35 115.87 2gju s TYR 178 Ca 0.00 -0.31 -0.32 0.00 -0.37 0.00 0.00 57.07 56.07 2gju s TYR 178 Cb 0.00 -1.07 -0.13 0.00 -0.40 0.00 0.00 41.96 40.36 2gju s TYR 178 CO 0.00 0.65 1.61 -2.30 -1.57 0.00 0.00 175.55 173.94 2gju n PRO 179 N -0.44 2.48 -3.86 -1.71 -0.02 -1.26 -4.04 135.00 126.15 2gju n PRO 179 Ca -0.07 0.89 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 2gju n PRO 179 Cb 0.59 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 2gju n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gju s LEU 180 N 0.59 1.43 -0.43 2.45 2.96 -0.39 -4.91 118.68 120.38 2gju s LEU 180 Ca 0.73 0.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.70 2gju s LEU 180 Cb -0.57 -0.10 0.20 0.00 0.50 0.00 0.00 46.19 46.22 2gju s LEU 180 CO 0.40 -0.07 0.50 -0.67 -1.32 0.00 0.00 176.35 175.19 2gju n ASP 181 N 3.77 -0.93 -4.54 3.68 4.64 -1.25 -1.44 116.55 120.47 2gju n ASP 181 Ca -0.22 -2.64 -0.39 0.00 -1.38 0.00 0.00 54.79 50.16 2gju n ASP 181 Cb 0.54 -0.03 -0.11 0.00 -1.04 0.00 0.00 41.12 40.47 2gju n ASP 181 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2gju s ALA 182 N -0.16 3.48 0.17 -1.67 0.00 -0.39 -4.96 121.76 118.23 2gju s ALA 182 Ca 0.33 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 2gju s ALA 182 Cb 0.09 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.59 2gju s ALA 182 CO -0.16 -0.78 0.74 1.41 0.00 0.00 0.00 175.76 176.97 2gju s MET 183 N 1.72 4.44 0.15 0.00 1.75 -1.26 -0.78 119.30 125.33 2gju s MET 183 Ca 0.06 1.03 -0.02 0.00 -1.25 0.00 0.00 55.69 55.52 2gju s MET 183 Cb -0.17 -3.16 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 2gju s MET 183 CO 0.10 0.54 0.10 0.95 -0.65 0.00 0.00 175.02 176.05 2gju s THR 184 N -1.24 0.07 -0.56 10.11 -4.23 -0.07 -4.95 115.64 114.78 2gju s THR 184 Ca 0.37 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 2gju s THR 184 Cb -0.21 -2.14 0.18 0.00 1.34 0.00 0.00 72.50 71.67 2gju s THR 184 CO 0.24 -0.34 1.54 1.15 -0.54 0.00 0.00 174.62 176.68 2gju n MET 185 N -0.15 0.12 -0.20 3.99 0.00 -1.26 -1.47 117.12 118.15 2gju n MET 185 Ca -0.04 0.48 0.07 0.00 0.00 0.00 0.00 57.70 58.21 2gju n MET 185 Cb 0.64 -1.78 0.18 0.00 0.00 0.00 0.00 33.22 32.26 2gju n MET 185 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2gju n TYR 186 N -2.01 0.52 0.00 3.17 4.02 -1.26 -5.09 117.16 116.51 2gju n TYR 186 Ca 0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 2gju n TYR 186 Cb 0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2gju n TYR 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2gju n GLY 187 N 0.79 0.84 3.68 2.72 0.00 -0.54 -4.49 105.19 108.18 2gju n GLY 187 Ca 0.14 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 2gju n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gju s ARG 188 N -0.93 3.98 -0.28 1.61 0.52 -0.36 -0.89 118.95 122.59 2gju s ARG 188 Ca 0.00 -0.30 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 2gju s ARG 188 Cb 0.00 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 2gju s ARG 188 CO 0.00 0.32 0.22 0.08 0.02 0.00 0.00 175.30 175.94 2gju s VAL 189 N 0.24 5.29 -0.00 3.52 1.01 0.04 0.34 120.40 130.84 2gju s VAL 189 Ca 0.05 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2gju s VAL 189 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2gju s VAL 189 CO -0.00 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.52 2gju s VAL 190 N 1.75 1.06 -0.07 2.92 1.01 0.95 -1.26 120.40 126.76 2gju s VAL 190 Ca 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2gju s VAL 190 Cb -0.16 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2gju s VAL 190 CO 0.10 0.26 -0.09 0.00 0.00 0.00 0.00 175.10 175.37 2gju n PRO 192 N 4.20 0.00 0.00 0.00 -0.04 -1.26 -1.26 135.00 136.64 2gju n PRO 192 Ca -0.20 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2gju n PRO 192 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2gju n PRO 192 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gju n GLY 193 N 0.68 -1.29 3.24 0.55 0.00 -1.26 -3.19 105.19 103.92 2gju n GLY 193 Ca 0.05 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 2gju n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gju s SER 194 N -4.00 3.46 -0.05 1.61 0.15 -1.12 -4.34 113.70 109.42 2gju s SER 194 Ca 0.00 -0.51 -0.22 0.00 0.70 0.00 0.00 55.95 55.91 2gju s SER 194 Cb 0.00 -1.52 -0.17 0.00 -1.71 0.00 0.00 66.02 62.62 2gju s SER 194 CO 0.00 0.09 0.95 0.40 1.20 0.00 0.00 173.24 175.88 2gju h ILE 195 N 5.70 0.98 0.00 6.45 1.08 -0.79 -2.17 117.51 128.76 2gju h ILE 195 Ca -0.31 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2gju h ILE 195 Cb 1.20 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 2gju h ILE 195 CO 0.55 0.25 0.00 0.61 -0.69 0.00 0.00 178.15 178.87 2gju n GLY 196 N 0.55 -0.04 3.12 5.37 0.00 -0.21 -4.04 105.19 109.94 2gju n GLY 196 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2gju n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gju s PHE 197 N -0.44 3.49 -0.03 1.61 5.99 -1.05 -4.74 117.98 122.81 2gju s PHE 197 Ca 0.00 -2.51 -0.34 0.00 0.00 0.00 0.00 56.93 54.08 2gju s PHE 197 Cb 0.00 -3.26 -0.12 0.00 0.00 0.00 0.00 43.02 39.64 2gju s PHE 197 CO 0.00 -0.91 1.82 -2.30 -0.00 0.00 0.00 175.22 173.83 2gju n PRO 198 N 4.03 2.20 0.12 10.12 -0.02 -1.26 -4.85 135.00 145.34 2gju n PRO 198 Ca 0.03 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 2gju n PRO 198 Cb 0.40 -2.64 0.07 0.00 -0.02 0.00 0.00 33.50 31.30 2gju n PRO 198 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2gju h PRO 199 N 8.51 0.00 0.00 0.52 0.13 -1.90 -0.97 132.00 138.29 2gju h PRO 199 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2gju h PRO 199 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2gju h PRO 199 CO 0.93 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 2gju n ALA 200 N -2.10 0.00 -1.69 -0.56 0.00 -1.26 -4.05 120.51 110.85 2gju n ALA 200 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2gju n ALA 200 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 2gju n ALA 200 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2gju s ARG 201 N -0.19 1.92 -1.65 0.00 1.70 -1.24 -3.07 118.95 116.42 2gju s ARG 201 Ca 0.00 0.38 -0.18 0.00 -0.47 0.00 0.00 55.73 55.47 2gju s ARG 201 Cb 0.00 -1.92 0.15 0.00 -0.57 0.00 0.00 34.95 32.61 2gju s ARG 201 CO 0.00 -1.68 0.79 0.39 -1.08 0.00 0.00 175.30 173.72 2gju n GLU 202 N -3.43 -3.43 -2.10 3.89 1.02 -1.26 -4.89 120.64 110.45 2gju n GLU 202 Ca 0.07 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 2gju n GLU 202 Cb 0.58 -5.15 -0.02 0.00 -0.02 0.00 0.00 31.44 26.83 2gju n GLU 202 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2gju s HIS 203 N -3.24 3.02 -0.01 -0.32 2.46 -1.26 -5.03 115.29 110.91 2gju s HIS 203 Ca 0.72 1.40 0.06 0.00 0.47 0.00 0.00 55.06 57.71 2gju s HIS 203 Cb -0.39 -3.70 -0.02 0.00 -0.13 0.00 0.00 32.58 28.35 2gju s HIS 203 CO 0.88 -1.92 -0.20 0.15 -2.47 0.00 0.00 174.74 171.18 2gju s LYS 204 N -1.83 1.59 -0.03 2.88 1.02 -1.26 -4.85 119.74 117.26 2gju s LYS 204 Ca 0.49 -0.75 -0.34 0.00 0.02 0.00 0.00 55.97 55.40 2gju s LYS 204 Cb -0.40 -1.56 -0.12 0.00 -0.52 0.00 0.00 37.83 35.23 2gju s LYS 204 CO 0.53 0.42 1.82 0.00 -0.92 0.00 0.00 175.35 177.21 2gju n ALA 205 N 2.48 0.99 -2.81 5.17 0.00 0.12 -4.68 120.51 121.78 2gju n ALA 205 Ca -0.15 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 2gju n ALA 205 Cb 0.53 -2.47 -0.16 0.00 0.00 0.00 0.00 19.45 17.35 2gju n ALA 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gju s THR 206 N 3.43 1.68 0.34 0.00 2.01 -0.82 -0.64 115.64 121.64 2gju s THR 206 Ca 0.90 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2gju s THR 206 Cb -0.68 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.40 2gju s THR 206 CO 0.49 0.48 0.50 0.72 -0.69 0.00 0.00 174.62 176.11 2gju s PHE 207 N -0.07 0.94 0.15 4.92 -0.71 -0.68 -3.47 117.98 119.06 2gju s PHE 207 Ca -0.03 -1.22 0.07 0.00 -1.04 0.00 0.00 56.93 54.71 2gju s PHE 207 Cb -0.12 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2gju s PHE 207 CO 0.03 -1.16 -0.15 0.00 -1.34 0.00 0.00 175.22 172.59 2gju s ALA 208 N -3.05 1.71 -0.16 1.99 0.00 -0.44 -0.83 121.76 120.97 2gju s ALA 208 Ca 0.29 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2gju s ALA 208 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2gju s ALA 208 CO 0.19 0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.40 2gju s LEU 209 N -2.69 1.89 -0.23 0.00 1.43 0.07 -0.40 118.68 118.75 2gju s LEU 209 Ca 0.13 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2gju s LEU 209 Cb -0.04 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2gju s LEU 209 CO 0.04 -0.04 0.09 -0.69 0.23 0.00 0.00 176.35 175.98 2gju s VAL 210 N 1.41 4.71 -0.10 -1.59 1.01 0.11 -1.38 120.40 124.57 2gju s VAL 210 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2gju s VAL 210 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2gju s VAL 210 CO -0.11 0.38 1.76 -0.62 0.00 0.00 0.00 175.10 176.51 2gju s ASP 211 N 1.09 6.41 0.00 3.32 -1.08 0.33 -0.71 116.67 126.03 2gju s ASP 211 Ca 0.05 2.10 0.02 0.00 -0.52 0.00 0.00 52.55 54.20 2gju s ASP 211 Cb -0.14 -2.53 0.10 0.00 -1.46 0.00 0.00 42.92 38.89 2gju s ASP 211 CO 0.04 -1.16 0.98 0.00 0.52 0.00 0.00 175.17 175.55 2gju n ALA 212 N 8.09 1.19 -0.04 3.66 0.00 -0.34 -0.18 120.51 132.89 2gju n ALA 212 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.55 2gju n ALA 212 Cb 0.43 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 2gju n ALA 212 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gju n GLU 213 N -1.40 0.20 0.00 0.00 -0.58 -1.26 -3.96 120.64 113.64 2gju n GLU 213 Ca 0.01 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 56.92 2gju n GLU 213 Cb 0.02 -1.03 0.06 0.00 -0.57 0.00 0.00 31.44 29.92 2gju n GLU 213 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2gju n THR 214 N -3.02 0.00 -1.11 2.62 -2.24 -1.20 -4.93 114.28 104.40 2gju n THR 214 Ca -0.16 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 2gju n THR 214 Cb 0.65 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 2gju n THR 214 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gju n LEU 215 N -0.89 0.50 -4.76 3.22 4.77 0.75 -4.93 117.00 115.66 2gju n LEU 215 Ca 0.07 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 2gju n LEU 215 Cb 0.38 -2.45 -0.03 0.00 -2.33 0.00 0.00 43.42 38.99 2gju n LEU 215 CO 0.34 -0.96 0.95 -0.75 -1.33 0.00 0.00 177.39 175.64 2gju s LYS 216 N -2.22 4.41 -0.12 3.23 2.20 -1.25 -4.62 119.74 121.37 2gju s LYS 216 Ca 0.00 2.12 -0.05 0.00 -0.36 0.00 0.00 55.97 57.68 2gju s LYS 216 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2gju s LYS 216 CO 0.00 -0.13 0.06 0.08 -0.36 0.00 0.00 175.35 175.01 2gju s VAL 217 N -0.93 4.84 -0.10 4.02 1.01 -1.26 -0.51 120.40 127.46 2gju s VAL 217 Ca 0.49 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2gju s VAL 217 Cb -0.38 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2gju s VAL 217 CO 0.48 0.58 -0.10 -0.75 0.00 0.00 0.00 175.10 175.31 2gju s LYS 218 N -0.64 1.71 -0.06 2.72 2.20 -0.48 -4.99 119.74 120.19 2gju s LYS 218 Ca 0.11 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.25 2gju s LYS 218 Cb -0.12 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.55 2gju s LYS 218 CO 0.02 -0.16 0.31 -0.06 -0.36 0.00 0.00 175.35 175.10 2gju s PHE 219 N 1.32 3.65 -0.03 4.03 0.40 -1.26 -0.75 117.98 125.34 2gju s PHE 219 Ca -0.02 0.79 0.07 0.00 -0.60 0.00 0.00 56.93 57.18 2gju s PHE 219 Cb -0.14 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 2gju s PHE 219 CO -0.04 0.61 -0.25 0.42 0.70 0.00 0.00 175.22 176.65 2gju s ILE 220 N -0.81 1.99 -0.06 0.64 -1.09 -0.01 -5.00 121.20 116.85 2gju s ILE 220 Ca 0.20 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 2gju s ILE 220 Cb -0.15 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2gju s ILE 220 CO 0.09 0.56 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.60 2gju s GLU 221 N -0.48 1.94 0.01 2.79 2.02 -1.26 -1.69 118.70 122.03 2gju s GLU 221 Ca 0.06 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.53 2gju s GLU 221 Cb -0.11 -1.59 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 2gju s GLU 221 CO 0.00 0.11 -0.06 0.54 0.02 0.00 0.00 175.26 175.87 2gju s VAL 222 N 0.43 0.47 0.53 2.63 0.11 0.18 -4.96 120.40 119.79 2gju s VAL 222 Ca -0.12 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 2gju s VAL 222 Cb -0.15 -0.44 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2gju s VAL 222 CO 0.04 -0.03 1.00 -1.61 -3.33 0.00 0.00 175.10 171.17 2gju s GLU 223 N -0.58 3.80 0.09 1.54 2.02 -1.26 -0.70 118.70 123.61 2gju s GLU 223 Ca -0.02 1.01 -0.10 0.00 0.02 0.00 0.00 54.97 55.88 2gju s GLU 223 Cb -0.05 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.08 2gju s GLU 223 CO 0.00 -0.40 0.24 1.52 0.02 0.00 0.00 175.26 176.64 2gju s TYR 224 N -2.59 0.06 -0.41 1.61 -0.85 -1.26 -4.88 117.35 109.02 2gju s TYR 224 Ca 0.60 -0.44 -0.27 0.00 -0.52 0.00 0.00 57.07 56.44 2gju s TYR 224 Cb -0.11 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.26 2gju s TYR 224 CO 0.33 -0.57 1.03 0.34 -1.52 0.00 0.00 175.55 175.16 2gju s ASP 225 N -2.75 6.68 0.22 -0.18 2.15 -1.26 -4.91 116.67 116.62 2gju s ASP 225 Ca 0.03 0.55 0.15 0.00 0.43 0.00 0.00 52.55 53.71 2gju s ASP 225 Cb 0.04 -2.51 -0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2gju s ASP 225 CO -0.10 -1.04 1.29 0.11 -0.17 0.00 0.00 175.17 175.26 2gju h LYS 226 N 8.77 0.00 -0.12 4.34 1.57 -1.99 -3.36 116.57 125.78 2gju h LYS 226 Ca -0.23 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2gju h LYS 226 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2gju h LYS 226 CO 1.05 0.48 -0.02 -0.22 -0.57 0.00 0.00 179.45 180.17 2gju h LYS 227 N 0.00 0.01 -0.31 3.15 1.63 -1.99 0.55 116.57 119.61 2gju h LYS 227 Ca -0.04 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2gju h LYS 227 Cb 1.45 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 2gju h LYS 227 CO 0.06 0.01 0.18 -0.84 -3.45 0.00 0.00 179.45 175.41 2gju h ILE 228 N 0.01 1.09 -0.32 2.00 3.07 -2.00 0.72 117.51 122.09 2gju h ILE 228 Ca 0.06 -0.22 -0.08 0.00 1.55 0.00 0.00 64.86 66.17 2gju h ILE 228 Cb 0.08 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.29 2gju h ILE 228 CO -0.12 0.10 -0.10 0.40 -1.05 0.00 0.00 178.15 177.38 2gju h ILE 229 N 0.43 1.28 -0.42 0.16 2.04 -1.51 -1.10 117.51 118.38 2gju h ILE 229 Ca 0.11 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.82 2gju h ILE 229 Cb -0.00 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2gju h ILE 229 CO -0.02 0.38 0.25 -0.08 0.00 0.00 0.00 178.15 178.68 2gju h GLU 230 N 0.40 0.49 -0.84 2.37 4.81 0.26 -0.53 114.58 121.53 2gju h GLU 230 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2gju h GLU 230 Cb 0.61 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2gju h GLU 230 CO 0.04 0.32 0.51 -0.44 -0.73 0.00 0.00 179.01 178.71 2gju h ASP 231 N 0.50 1.01 -0.40 1.04 3.45 -0.73 -2.02 116.42 119.27 2gju h ASP 231 Ca 0.17 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.44 2gju h ASP 231 Cb 0.01 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 2gju h ASP 231 CO -0.08 0.78 -0.23 -0.09 -1.57 0.00 0.00 179.24 178.04 2gju h ARG 232 N 1.16 0.91 -0.50 3.56 9.65 -0.83 0.11 114.38 128.43 2gju h ARG 232 Ca 0.30 -0.39 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2gju h ARG 232 Cb -0.05 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 2gju h ARG 232 CO -0.06 1.04 0.32 0.82 2.80 0.00 0.00 179.97 184.89 2gju h ILE 233 N 0.78 1.10 -0.45 1.20 2.04 -0.68 -0.53 117.51 120.97 2gju h ILE 233 Ca 0.10 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 2gju h ILE 233 Cb 0.79 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2gju h ILE 233 CO 0.07 0.12 -0.20 0.11 0.00 0.00 0.00 178.15 178.25 2gju h LYS 234 N 0.65 0.93 -0.87 2.37 1.57 -1.20 -1.55 116.57 118.46 2gju h LYS 234 Ca 0.19 -0.40 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2gju h LYS 234 Cb -0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2gju h LYS 234 CO -0.06 1.06 0.54 1.25 -0.57 0.00 0.00 179.45 181.67 2gju h LEU 235 N 0.77 0.86 -0.26 2.94 5.85 -0.52 -1.05 115.31 123.90 2gju h LEU 235 Ca 0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2gju h LEU 235 Cb 0.77 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2gju h LEU 235 CO 0.06 0.56 -0.05 -0.62 -0.34 0.00 0.00 178.44 178.04 2gju n GLU 236 N -4.60 0.89 -2.32 1.25 -0.58 -0.25 -4.94 120.64 110.09 2gju n GLU 236 Ca 0.12 -0.26 -0.15 0.00 -0.42 0.00 0.00 57.16 56.46 2gju n GLU 236 Cb 0.17 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 2gju n GLU 236 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gju n LYS 237 N -0.83 -1.34 -1.89 3.49 4.01 -0.40 -5.01 118.16 116.18 2gju n LYS 237 Ca 0.18 0.73 -0.31 0.00 -0.51 0.00 0.00 58.31 58.39 2gju n LYS 237 Cb 0.24 -5.07 0.01 0.00 -0.51 0.00 0.00 35.03 29.71 2gju n LYS 237 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2gju s LEU 238 N -4.37 3.24 0.38 -0.35 1.43 -0.64 -4.99 118.68 113.37 2gju s LEU 238 Ca 0.01 1.41 -0.25 0.00 -1.03 0.00 0.00 54.13 54.28 2gju s LEU 238 Cb -0.01 -4.46 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 2gju s LEU 238 CO 0.02 -0.86 0.89 -2.65 0.23 0.00 0.00 176.35 173.98 2gju n PRO 239 N -2.73 1.14 0.27 1.29 -0.02 -1.26 -4.76 135.00 128.93 2gju n PRO 239 Ca 0.06 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2gju n PRO 239 Cb 0.54 -1.85 0.78 0.00 -0.02 0.00 0.00 33.50 32.95 2gju n PRO 239 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gju h GLU 240 N 1.46 0.00 -0.67 -0.52 4.81 -1.97 -1.83 114.58 115.87 2gju h GLU 240 Ca -0.42 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.92 2gju h GLU 240 Cb 1.35 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 2gju h GLU 240 CO 0.57 0.08 0.44 1.49 -0.73 0.00 0.00 179.01 180.86 2gju h GLU 241 N 0.00 0.46 -0.49 1.92 4.57 -2.00 0.14 114.58 119.19 2gju h GLU 241 Ca -0.00 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2gju h GLU 241 Cb 0.23 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2gju h GLU 241 CO 0.01 0.31 0.09 0.28 -1.18 0.00 0.00 179.01 178.51 2gju h VAL 242 N 0.48 1.22 -0.55 0.32 2.07 -1.68 -1.36 116.25 116.74 2gju h VAL 242 Ca 0.31 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 2gju h VAL 242 Cb 0.57 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2gju h VAL 242 CO -0.10 0.30 -0.07 0.40 0.02 0.00 0.00 177.57 178.12 2gju h ILE 243 N 0.73 1.27 -0.69 4.57 2.04 -1.11 -1.61 117.51 122.70 2gju h ILE 243 Ca 0.16 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2gju h ILE 243 Cb 0.32 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2gju h ILE 243 CO 0.00 0.43 0.20 0.11 0.00 0.00 0.00 178.15 178.90 2gju h LYS 244 N 0.91 1.08 -0.54 2.37 1.79 -0.79 -2.27 116.57 119.12 2gju h LYS 244 Ca 0.15 -0.23 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 2gju h LYS 244 Cb 0.63 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2gju h LYS 244 CO 0.04 0.93 0.08 0.82 -1.08 0.00 0.00 179.45 180.24 2gju h ILE 245 N 1.04 1.25 -0.55 1.86 2.04 -1.07 0.47 117.51 122.55 2gju h ILE 245 Ca 0.22 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 65.22 2gju h ILE 245 Cb 0.31 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 2gju h ILE 245 CO -0.00 0.35 0.10 0.25 0.00 0.00 0.00 178.15 178.84 2gju h LEU 246 N 0.78 -0.03 0.00 1.44 5.85 -0.76 0.38 115.31 122.97 2gju h LEU 246 Ca 0.16 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2gju h LEU 246 Cb 0.41 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2gju h LEU 246 CO 0.01 0.01 -1.46 -1.22 -0.34 0.00 0.00 178.44 175.44 2gju n TYR 247 N -5.14 0.28 -0.12 1.25 4.01 -0.91 -4.57 117.16 111.96 2gju n TYR 247 Ca 0.07 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2gju n TYR 247 Cb 0.29 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 2gju n TYR 247 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2gju n HIS 248 N -2.21 0.00 0.00 -0.72 8.25 0.16 -4.04 115.22 116.66 2gju n HIS 248 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2gju n HIS 248 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2gju n HIS 248 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gju n GLY 249 N 0.39 -1.21 3.47 -1.41 0.00 0.13 -3.71 105.19 102.85 2gju n GLY 249 Ca 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2gju n GLY 249 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gju s GLY 250 N -3.19 -0.54 0.16 -0.02 0.00 -0.37 -4.37 107.32 98.98 2gju s GLY 250 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 44.72 45.28 2gju s GLY 250 CO 0.00 0.22 0.51 0.54 0.00 0.00 0.00 173.10 174.37 2gju s LYS 251 N -3.50 3.87 0.00 2.90 1.02 -1.26 -4.57 119.74 118.20 2gju s LYS 251 Ca 0.03 0.34 0.06 0.00 0.02 0.00 0.00 55.97 56.42 2gju s LYS 251 Cb -0.01 -2.86 0.38 0.00 -0.52 0.00 0.00 37.83 34.82 2gju s LYS 251 CO -0.11 0.45 0.84 0.00 -0.92 0.00 0.00 175.35 175.61