#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 3.92 0.20 2.03 1.01 -1.26 -0.30 120.40 126.00 2gju s VAL 2 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2gju s VAL 2 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2gju s VAL 2 CO 0.00 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.24 2gju s TYR 3 N 0.02 1.52 -0.14 5.22 2.02 0.98 -2.18 117.35 124.79 2gju s TYR 3 Ca 0.01 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2gju s TYR 3 Cb -0.13 -0.80 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 2gju s TYR 3 CO 0.03 0.12 -0.12 0.08 -1.57 0.00 0.00 175.55 174.09 2gju s VAL 4 N -3.25 3.14 -0.03 0.71 1.01 0.01 -2.61 120.40 119.39 2gju s VAL 4 Ca 0.23 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 2gju s VAL 4 Cb 0.03 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2gju s VAL 4 CO 0.05 0.52 0.67 0.00 0.00 0.00 0.00 175.10 176.33 2gju s ALA 5 N 0.43 3.40 -0.15 5.51 0.00 -0.83 -1.27 121.76 128.85 2gju s ALA 5 Ca -0.09 0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2gju s ALA 5 Cb -0.16 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2gju s ALA 5 CO 0.05 0.02 -0.15 0.08 0.00 0.00 0.00 175.76 175.76 2gju s VAL 6 N 0.31 1.63 0.19 0.00 1.01 0.07 -0.07 120.40 123.54 2gju s VAL 6 Ca 0.35 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.74 2gju s VAL 6 Cb -0.18 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2gju s VAL 6 CO 0.18 0.47 -0.19 -0.76 0.00 0.00 0.00 175.10 174.80 2gju s LEU 7 N 1.36 2.47 0.07 3.92 1.02 0.83 -1.55 118.68 126.80 2gju s LEU 7 Ca 0.03 -0.90 -0.21 0.00 0.02 0.00 0.00 54.13 53.07 2gju s LEU 7 Cb -0.13 -0.93 0.05 0.00 0.02 0.00 0.00 46.19 45.20 2gju s LEU 7 CO -0.09 -0.00 0.51 0.00 0.02 0.00 0.00 176.35 176.79 2gju s ALA 8 N -2.10 -1.30 -1.08 4.21 0.00 -1.26 0.85 121.76 121.08 2gju s ALA 8 Ca 0.19 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 2gju s ALA 8 Cb -0.06 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2gju s ALA 8 CO 0.08 -0.56 0.81 0.09 0.00 0.00 0.00 175.76 176.18 2gju n ASN 9 N 0.20 -5.76 -0.02 0.00 3.02 -0.91 -0.70 115.26 111.09 2gju n ASN 9 Ca -0.18 -0.89 -0.16 0.00 -0.03 0.00 0.00 54.58 53.32 2gju n ASN 9 Cb 0.61 -3.80 -0.05 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.51 1.29 -5.56 2.41 2.04 -1.10 -0.89 117.51 114.20 2gju h ILE 10 Ca -0.61 -1.97 -0.39 0.00 1.00 0.00 0.00 64.86 62.89 2gju h ILE 10 Cb 1.33 1.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.28 2gju h ILE 10 CO 0.46 0.62 -0.58 0.00 0.00 0.00 0.00 178.15 178.65 2gju n ALA 11 N -2.59 -1.08 -0.83 1.87 0.00 0.12 -1.47 120.51 116.54 2gju n ALA 11 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2gju n ALA 11 Cb 0.73 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.20 0.63 3.41 0.00 0.00 0.09 -1.34 105.19 106.77 2gju n GLY 12 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.13 6.73 0.15 1.61 3.84 -0.54 -1.81 114.94 122.79 2gju s ASN 13 Ca 0.00 -2.38 -0.15 0.00 0.21 0.00 0.00 52.86 50.53 2gju s ASN 13 Cb 0.00 -2.33 0.02 0.00 -0.55 0.00 0.00 41.25 38.39 2gju s ASN 13 CO 0.00 -0.85 1.75 0.15 -2.79 0.00 0.00 177.10 175.36 2gju h PHE 14 N 8.29 0.61 -0.67 0.43 3.57 -1.87 -2.55 116.94 124.75 2gju h PHE 14 Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2gju h PHE 14 Cb 1.01 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 2gju h PHE 14 CO 1.11 0.47 0.38 -1.35 -2.23 0.00 0.00 178.31 176.68 2gju h PRO 15 N 0.58 0.69 -0.49 6.41 0.11 -1.94 0.84 132.00 138.21 2gju h PRO 15 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2gju h PRO 15 Cb 0.06 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2gju h PRO 15 CO -0.02 0.46 0.21 0.00 -0.21 0.00 0.00 178.00 178.44 2gju h ALA 16 N 1.33 0.63 -0.06 -0.75 0.00 -1.87 -1.06 119.26 117.49 2gju h ALA 16 Ca 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2gju h ALA 16 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2gju h ALA 16 CO -0.17 0.22 0.03 1.25 0.00 0.00 0.00 179.25 180.59 2gju h LEU 17 N 0.65 0.07 -0.88 0.00 5.85 -0.99 -1.65 115.31 118.36 2gju h LEU 17 Ca 0.17 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2gju h LEU 17 Cb 0.16 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2gju h LEU 17 CO -0.02 0.13 0.56 0.74 -0.34 0.00 0.00 178.44 179.51 2gju h THR 18 N 0.01 1.09 -0.63 1.05 2.02 -0.69 -0.12 112.91 115.64 2gju h THR 18 Ca 0.02 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2gju h THR 18 Cb 0.07 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 2gju h THR 18 CO -0.00 0.19 0.37 0.00 0.37 0.00 0.00 175.52 176.45 2gju h ALA 19 N 1.39 0.81 -0.15 6.16 0.00 -0.93 -1.14 119.26 125.41 2gju h ALA 19 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2gju h ALA 19 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gju h ALA 19 CO -0.15 0.31 0.04 0.00 0.00 0.00 0.00 179.25 179.45 2gju h ALA 20 N 1.18 0.19 -0.46 0.00 0.00 -0.38 -1.62 119.26 118.18 2gju h ALA 20 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2gju h ALA 20 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gju h ALA 20 CO -0.04 -0.18 0.16 -0.07 0.00 0.00 0.00 179.25 179.12 2gju h LEU 21 N 0.05 0.60 -0.52 0.00 3.38 -0.89 -1.55 115.31 116.37 2gju h LEU 21 Ca 0.05 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2gju h LEU 21 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2gju h LEU 21 CO -0.00 0.57 -0.56 -0.33 0.09 0.00 0.00 178.44 178.21 2gju h GLU 22 N 0.65 0.54 -0.73 1.13 5.08 -1.09 -1.85 114.58 118.31 2gju h GLU 22 Ca 0.16 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2gju h GLU 22 Cb 0.17 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2gju h GLU 22 CO -0.01 0.95 0.24 -0.22 -1.00 0.00 0.00 179.01 178.97 2gju h LYS 23 N 0.41 1.13 -0.63 2.33 1.63 -0.75 -1.95 116.57 118.74 2gju h LYS 23 Ca 0.01 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.50 2gju h LYS 23 Cb 1.10 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 2gju h LYS 23 CO 0.10 0.95 0.10 0.82 -3.45 0.00 0.00 179.45 177.98 2gju h ILE 24 N 1.09 1.26 -0.48 2.00 2.04 -1.08 0.05 117.51 122.38 2gju h ILE 24 Ca 0.24 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2gju h ILE 24 Cb 0.29 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2gju h ILE 24 CO -0.01 0.37 0.17 -0.33 0.00 0.00 0.00 178.15 178.35 2gju h GLU 25 N 0.96 0.69 -0.21 2.37 4.39 -0.90 -2.20 114.58 119.68 2gju h GLU 25 Ca 0.19 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 2gju h GLU 25 Cb 0.41 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2gju h GLU 25 CO 0.01 0.59 -0.47 0.93 -1.16 0.00 0.00 179.01 178.91 2gju h GLU 26 N 0.68 0.69 0.00 2.33 5.08 -0.78 -3.08 114.58 119.50 2gju h GLU 26 Ca 0.16 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2gju h GLU 26 Cb 0.18 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2gju h GLU 26 CO -0.01 1.08 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.92 2gju h LEU 27 N 0.40 0.00 -1.13 1.33 3.38 -0.67 0.20 115.31 118.82 2gju h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gju h LEU 27 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2gju h LEU 27 CO 0.10 0.09 0.00 0.11 0.09 0.00 0.00 178.44 178.84 2gju h LYS 28 N 0.00 0.00 -0.00 1.13 1.57 -1.31 0.13 116.57 118.08 2gju h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gju h LYS 28 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2gju h LYS 28 CO 0.01 0.00 -0.30 0.39 -0.57 0.00 0.00 179.45 178.98 2gju n GLU 29 N -2.77 0.45 -0.78 3.15 1.02 0.05 -3.91 120.64 117.86 2gju n GLU 29 Ca 0.01 -0.24 -0.04 0.00 -0.02 0.00 0.00 57.16 56.88 2gju n GLU 29 Cb 0.29 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.43 2gju n GLU 29 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gju n GLU 30 N -1.07 2.17 -0.05 3.49 1.02 0.38 -4.93 120.64 121.66 2gju n GLU 30 Ca 0.10 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.15 2gju n GLU 30 Cb 0.33 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.97 0.52 3.73 0.62 0.00 -1.20 -5.04 105.19 102.86 2gju n GLY 31 Ca 0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.21 3.54 -0.15 1.61 1.51 -0.84 -1.29 117.35 119.52 2gju s TYR 32 Ca 0.00 0.99 0.02 0.00 -1.01 0.00 0.00 57.07 57.07 2gju s TYR 32 Cb 0.00 -2.60 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 2gju s TYR 32 CO 0.00 0.18 -0.21 -2.00 -1.11 0.00 0.00 175.55 172.41 2gju s GLU 33 N 0.56 2.99 -0.38 -0.62 2.12 0.59 -3.89 118.70 120.08 2gju s GLU 33 Ca 0.29 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 2gju s GLU 33 Cb -0.16 -2.47 0.09 0.00 0.26 0.00 0.00 34.13 31.85 2gju s GLU 33 CO 0.12 -0.09 0.15 0.42 -0.54 0.00 0.00 175.26 175.32 2gju s ILE 34 N 1.01 3.26 0.01 -3.70 -1.09 -1.26 -0.01 121.20 119.42 2gju s ILE 34 Ca -0.02 -1.82 0.16 0.00 -2.23 0.00 0.00 60.65 56.74 2gju s ILE 34 Cb -0.15 -3.12 0.07 0.00 -1.58 0.00 0.00 42.46 37.68 2gju s ILE 34 CO -0.06 -0.51 1.56 1.05 -1.23 0.00 0.00 174.94 175.74 2gju h GLU 35 N 8.05 0.00 -2.89 2.79 4.11 -1.89 -3.48 114.58 121.27 2gju h GLU 35 Ca -0.16 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.33 2gju h GLU 35 Cb 1.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 2gju h GLU 35 CO 0.65 0.49 0.27 -1.59 0.07 0.00 0.00 179.01 178.90 2gju s LYS 36 N -3.22 1.55 0.00 1.06 -2.85 -1.26 -4.30 119.74 110.72 2gju s LYS 36 Ca 0.02 -0.79 0.06 0.00 -1.00 0.00 0.00 55.97 54.26 2gju s LYS 36 Cb 0.09 0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 36.42 2gju s LYS 36 CO 0.73 -0.70 -0.19 0.71 0.10 0.00 0.00 175.35 176.00 2gju s TYR 37 N -3.77 1.65 -0.19 1.78 1.51 0.51 -1.97 117.35 116.88 2gju s TYR 37 Ca 0.08 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2gju s TYR 37 Cb -0.04 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2gju s TYR 37 CO 0.01 0.00 -0.14 0.71 -1.11 0.00 0.00 175.55 175.02 2gju s TYR 38 N -0.55 2.84 -0.28 2.71 2.02 0.90 -1.20 117.35 123.79 2gju s TYR 38 Ca 0.07 -1.26 0.03 0.00 -0.37 0.00 0.00 57.07 55.54 2gju s TYR 38 Cb -0.08 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 2gju s TYR 38 CO 0.00 -0.64 -0.07 0.42 -1.57 0.00 0.00 175.55 173.69 2gju s ILE 39 N 1.23 2.16 0.28 2.71 1.01 -0.05 -0.12 121.20 128.41 2gju s ILE 39 Ca 0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 60.65 58.79 2gju s ILE 39 Cb -0.14 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 2gju s ILE 39 CO -0.07 -0.17 0.61 -0.76 0.00 0.00 0.00 174.94 174.55 2gju s LEU 40 N 1.07 4.09 0.90 2.97 1.02 0.25 -1.58 118.68 127.40 2gju s LEU 40 Ca -0.04 0.97 -0.14 0.00 0.02 0.00 0.00 54.13 54.94 2gju s LEU 40 Cb -0.20 -3.76 0.14 0.00 0.02 0.00 0.00 46.19 42.40 2gju s LEU 40 CO -0.06 -0.16 1.22 -0.83 0.02 0.00 0.00 176.35 176.54 2gju s GLY 41 N -2.59 1.66 0.25 -3.19 0.00 -0.81 -2.14 107.32 100.50 2gju s GLY 41 Ca 0.48 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2gju s GLY 41 CO 0.23 -0.22 1.05 -1.31 0.00 0.00 0.00 173.10 172.86 2gju s ASN 42 N -4.56 7.38 -0.07 1.64 0.01 -1.26 -2.96 114.94 115.12 2gju s ASN 42 Ca 0.67 2.15 -0.17 0.00 -0.71 0.00 0.00 52.86 54.80 2gju s ASN 42 Cb -0.09 -2.62 -0.30 0.00 0.41 0.00 0.00 41.25 38.66 2gju s ASN 42 CO 0.52 -0.07 0.70 0.40 -1.51 0.00 0.00 177.10 177.14 2gju h ILE 43 N 3.20 1.17 -3.87 0.60 1.08 -1.88 0.42 117.51 118.24 2gju h ILE 43 Ca -0.46 -2.48 -0.29 0.00 -0.39 0.00 0.00 64.86 61.25 2gju h ILE 43 Cb 1.21 2.88 -0.07 0.00 -3.07 0.00 0.00 36.82 37.77 2gju h ILE 43 CO 0.68 0.73 -0.25 1.33 -0.69 0.00 0.00 178.15 179.95 2gju n VAL 44 N -3.92 0.00 0.00 1.67 0.24 -1.26 -0.73 118.33 114.32 2gju n VAL 44 Ca -0.21 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 2gju n VAL 44 Cb 0.92 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.34 1.68 0.53 7.63 0.00 -1.26 -4.40 105.19 109.71 2gju n GLY 45 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 1.47 -4.83 0.99 7.94 -1.09 -3.53 117.00 117.96 2gju n LEU 46 Ca 0.00 0.23 -0.33 0.00 -1.11 0.00 0.00 56.01 54.79 2gju n LEU 46 Cb 0.00 -0.54 -0.06 0.00 0.53 0.00 0.00 43.42 43.35 2gju n LEU 46 CO 0.00 -0.50 0.51 -0.36 -1.11 0.00 0.00 177.39 175.94 2gju s PHE 47 N -2.40 3.41 -0.91 1.96 0.08 -0.45 -4.84 117.98 114.82 2gju s PHE 47 Ca -0.15 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.31 2gju s PHE 47 Cb 0.02 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 2gju s PHE 47 CO 0.22 0.07 0.13 -0.35 -0.10 0.00 0.00 175.22 175.19 2gju n PRO 48 N -0.25 0.24 -2.32 0.24 -0.04 -1.26 -4.21 135.00 127.40 2gju n PRO 48 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 2gju n PRO 48 Cb 0.53 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.42 3.12 -0.10 0.54 4.01 -0.75 -4.88 117.16 119.53 2gju n TYR 49 Ca 0.00 -2.79 -0.07 0.00 -0.16 0.00 0.00 57.90 54.88 2gju n TYR 49 Cb 0.07 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 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 2.45 0.27 -0.45 -0.72 0.13 -1.74 -1.70 132.00 130.22 2gju h PRO 50 Ca 0.31 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.39 2gju h PRO 50 Cb 1.15 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2gju h PRO 50 CO 0.81 0.18 0.16 0.00 -0.23 0.00 0.00 178.00 178.91 2gju h ARG 51 N 0.28 0.70 -0.25 0.86 3.08 -1.89 -2.43 114.38 114.72 2gju h ARG 51 Ca 0.15 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2gju h ARG 51 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2gju h ARG 51 CO -0.15 0.66 -0.14 0.93 -1.07 0.00 0.00 179.97 180.20 2gju h GLU 52 N 0.60 0.41 0.02 0.04 3.07 -1.91 -0.99 114.58 115.81 2gju h GLU 52 Ca 0.15 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2gju h GLU 52 Cb 0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2gju h GLU 52 CO -0.01 0.55 -0.01 0.28 -1.40 0.00 0.00 179.01 178.43 2gju h VAL 53 N 0.38 1.23 -0.75 3.13 2.07 -1.15 -1.50 116.25 119.66 2gju h VAL 53 Ca 0.07 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2gju h VAL 53 Cb 0.48 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2gju h VAL 53 CO 0.03 0.20 0.38 0.40 0.02 0.00 0.00 177.57 178.60 2gju h ILE 54 N -0.36 1.23 -0.69 4.57 2.04 -1.29 -1.55 117.51 121.47 2gju h ILE 54 Ca -0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2gju h ILE 54 Cb 0.34 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2gju h ILE 54 CO 0.00 0.27 0.34 -0.08 0.00 0.00 0.00 178.15 178.68 2gju h GLU 55 N 1.04 0.99 -0.63 2.37 4.57 -1.16 0.12 114.58 121.88 2gju h GLU 55 Ca 0.26 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2gju h GLU 55 Cb 0.08 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2gju h GLU 55 CO -0.04 0.77 0.21 0.00 -1.18 0.00 0.00 179.01 178.77 2gju h ALA 56 N 1.16 1.17 -0.13 2.92 0.00 -0.87 -0.51 119.26 123.00 2gju h ALA 56 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2gju h ALA 56 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2gju h ALA 56 CO -0.03 0.58 -0.26 0.82 0.00 0.00 0.00 179.25 180.36 2gju h ILE 57 N 0.93 1.37 -0.99 0.00 2.04 -0.84 -2.20 117.51 117.82 2gju h ILE 57 Ca 0.21 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.60 2gju h ILE 57 Cb 0.25 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 2gju h ILE 57 CO -0.01 0.45 0.64 0.11 0.00 0.00 0.00 178.15 179.34 2gju h LYS 58 N -0.01 1.17 -0.55 2.37 1.57 -0.57 -0.51 116.57 120.05 2gju h LYS 58 Ca 0.00 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2gju h LYS 58 Cb 0.85 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2gju h LYS 58 CO 0.06 0.77 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.71 2gju h ASN 59 N 1.20 1.02 -0.56 0.86 2.35 -1.06 -2.96 115.58 116.44 2gju h ASN 59 Ca 0.41 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2gju h ASN 59 Cb 0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2gju h ASN 59 CO -0.15 1.12 0.11 0.25 -1.65 0.00 0.00 177.43 177.11 2gju h LEU 60 N 0.92 0.87 -2.62 1.61 5.85 -0.74 -2.90 115.31 118.31 2gju h LEU 60 Ca 0.15 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2gju h LEU 60 Cb 0.65 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2gju h LEU 60 CO 0.04 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.04 2gju h ALA 61 N 1.01 1.00 0.00 1.25 0.00 -0.95 -1.14 119.26 120.42 2gju h ALA 61 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2gju h ALA 61 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2gju h ALA 61 CO 0.01 0.00 -0.63 0.87 0.00 0.00 0.00 179.25 179.50 2gju h LYS 62 N 0.00 0.00 -0.00 0.00 1.57 -1.38 -3.34 116.57 113.42 2gju h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gju h LYS 62 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2gju h LYS 62 CO 0.00 0.63 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 2gju n THR 63 N -3.50 0.03 -4.05 -0.16 -2.24 -0.98 -5.04 114.28 98.34 2gju n THR 63 Ca -0.00 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 2gju n THR 63 Cb 0.69 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.10 0.19 -0.55 3.42 0.01 -0.47 -5.11 113.70 111.09 2gju s SER 64 Ca 0.01 -1.03 -0.23 0.00 1.31 0.00 0.00 55.95 56.01 2gju s SER 64 Cb 0.01 0.36 0.05 0.00 0.21 0.00 0.00 66.02 66.64 2gju s SER 64 CO 0.01 -0.80 0.87 0.21 0.41 0.00 0.00 173.24 173.94 2gju s ASN 65 N -3.00 6.29 -0.17 2.44 3.84 -1.26 -4.35 114.94 118.73 2gju s ASN 65 Ca 0.20 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.72 2gju s ASN 65 Cb 0.06 -2.40 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2gju s ASN 65 CO -0.00 -1.17 -0.17 -0.69 -2.79 0.00 0.00 177.10 172.28 2gju s VAL 66 N 3.64 2.41 -0.22 -5.21 1.01 -1.26 -0.37 120.40 120.40 2gju s VAL 66 Ca 0.26 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2gju s VAL 66 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2gju s VAL 66 CO 0.16 0.52 -0.04 -0.54 0.00 0.00 0.00 175.10 175.20 2gju s LYS 67 N 1.08 3.35 -0.02 2.72 1.02 -0.34 -4.98 119.74 122.55 2gju s LYS 67 Ca -0.00 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.39 2gju s LYS 67 Cb -0.14 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2gju s LYS 67 CO -0.06 -0.21 -0.15 0.08 -0.92 0.00 0.00 175.35 174.09 2gju s VAL 68 N 1.47 2.96 0.03 3.17 1.01 -1.26 -0.87 120.40 126.92 2gju s VAL 68 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2gju s VAL 68 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2gju s VAL 68 CO -0.03 0.52 -0.14 0.27 0.00 0.00 0.00 175.10 175.71 2gju s ILE 69 N -0.78 1.14 0.58 2.22 -4.36 -0.62 -3.94 121.20 115.44 2gju s ILE 69 Ca 0.12 -0.95 -0.16 0.00 -0.26 0.00 0.00 60.65 59.41 2gju s ILE 69 Cb -0.11 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 2gju s ILE 69 CO 0.02 0.07 1.04 0.00 0.24 0.00 0.00 174.94 176.31 2gju s ARG 70 N -1.01 3.44 0.34 0.37 1.70 -0.61 -1.92 118.95 121.26 2gju s ARG 70 Ca 0.03 1.15 0.02 0.00 -0.47 0.00 0.00 55.73 56.46 2gju s ARG 70 Cb -0.07 -2.05 0.02 0.00 -0.57 0.00 0.00 34.95 32.27 2gju s ARG 70 CO 0.01 -0.71 0.18 0.41 -1.08 0.00 0.00 175.30 174.11 2gju n GLY 71 N -1.11 3.16 0.21 3.88 0.00 -1.26 -4.49 105.19 105.58 2gju n GLY 71 Ca 0.08 -2.27 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 2gju n GLY 71 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2gju h LYS 72 N 0.00 -0.17 -0.90 1.61 1.63 -1.89 -1.25 116.57 115.60 2gju h LYS 72 Ca -0.24 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 2gju h LYS 72 Cb 0.82 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.44 2gju h LYS 72 CO 0.38 -0.11 0.53 1.88 -3.45 0.00 0.00 179.45 178.68 2gju h TYR 73 N -0.18 1.19 -0.81 1.91 0.05 -1.94 -1.43 116.97 115.75 2gju h TYR 73 Ca 0.11 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2gju h TYR 73 Cb 0.34 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.66 2gju h TYR 73 CO -0.30 0.79 0.38 -0.44 -1.05 0.00 0.00 178.16 177.55 2gju h ASP 74 N 1.24 1.07 -0.23 3.88 3.32 -1.67 -2.68 116.42 121.35 2gju h ASP 74 Ca 0.32 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 2gju h ASP 74 Cb -0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2gju h ASP 74 CO -0.06 0.91 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.54 2gju h GLN 75 N 1.16 0.69 0.00 3.56 5.75 -0.69 -0.01 115.11 125.56 2gju h GLN 75 Ca 0.28 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2gju h GLN 75 Cb 0.13 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 2gju h GLN 75 CO -0.03 0.86 -0.07 -0.07 -2.65 0.00 0.00 178.83 176.86 2gju h LEU 76 N 0.61 0.00 0.03 -2.39 3.38 -0.94 -0.33 115.31 115.68 2gju h LEU 76 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2gju h LEU 76 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2gju h LEU 76 CO 0.05 0.07 -1.48 -0.38 0.09 0.00 0.00 178.44 176.80 2gju n ILE 77 N -3.70 1.60 0.19 1.22 5.41 -1.01 -4.28 119.36 118.79 2gju n ILE 77 Ca -0.02 -0.19 0.07 0.00 1.00 0.00 0.00 62.75 63.61 2gju n ILE 77 Cb 0.18 -1.96 0.59 0.00 -0.71 0.00 0.00 39.64 37.74 2gju n ILE 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gju h ALA 78 N -0.36 1.94 0.00 -1.39 0.00 -0.77 -2.57 119.26 116.11 2gju h ALA 78 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gju h ALA 78 Cb 1.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2gju h ALA 78 CO -0.14 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2gju h MET 79 N 0.13 0.00 -7.06 0.00 -0.00 -1.24 -3.46 114.93 103.30 2gju h MET 79 Ca 0.04 0.00 -0.51 0.00 -0.00 0.00 0.00 59.70 59.23 2gju h MET 79 Cb 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 31.60 31.69 2gju h MET 79 CO -0.01 0.00 0.47 -1.54 -0.00 0.00 0.00 176.91 175.83 2gju s SER 80 N -4.47 5.72 0.08 -0.10 1.04 -0.97 -4.91 113.70 110.08 2gju s SER 80 Ca 0.04 2.31 -0.36 0.00 0.48 0.00 0.00 55.95 58.43 2gju s SER 80 Cb 0.09 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.46 2gju s SER 80 CO 0.43 -1.23 1.45 -0.67 0.98 0.00 0.00 173.24 174.20 2gju n ASP 81 N -1.07 2.14 -0.30 7.02 -0.08 -1.26 -4.85 116.55 118.16 2gju n ASP 81 Ca 0.11 1.10 0.21 0.00 -1.51 0.00 0.00 54.79 54.70 2gju n ASP 81 Cb 0.49 -1.26 0.51 0.00 2.34 0.00 0.00 41.12 43.20 2gju n ASP 81 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2gju h PRO 82 N 5.24 0.40 -1.03 -0.67 0.13 -1.91 -1.99 132.00 132.16 2gju h PRO 82 Ca -0.47 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 2gju h PRO 82 Cb 1.31 -0.09 -0.38 0.00 0.13 0.00 0.00 31.00 31.97 2gju h PRO 82 CO 0.82 0.26 -0.19 0.72 -0.23 0.00 0.00 178.00 179.39 2gju n HIS 83 N -4.58 3.00 -2.25 1.56 8.25 -1.26 -5.01 115.22 114.93 2gju n HIS 83 Ca 0.23 -2.58 -0.36 0.00 -0.26 0.00 0.00 57.72 54.75 2gju n HIS 83 Cb 0.81 -0.68 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 2gju n HIS 83 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gju s ALA 84 N -3.69 2.84 -0.40 -1.41 0.00 -0.75 -4.93 121.76 113.42 2gju s ALA 84 Ca 0.54 0.89 0.23 0.00 0.00 0.00 0.00 51.96 53.63 2gju s ALA 84 Cb 0.44 -3.38 0.19 0.00 0.00 0.00 0.00 23.12 20.37 2gju s ALA 84 CO -0.04 -0.72 1.26 0.78 0.00 0.00 0.00 175.76 177.03 2gju h GLY 85 N 1.64 0.00 -2.10 0.00 0.00 -1.95 -3.48 103.07 97.19 2gju h GLY 85 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2gju h GLY 85 CO 0.59 0.00 0.02 0.51 0.00 0.00 0.00 176.54 177.66 2gju s ASP 86 N -5.21 -0.13 -0.28 0.19 1.47 -1.26 -5.06 116.67 106.39 2gju s ASP 86 Ca 0.03 -0.83 0.05 0.00 1.18 0.00 0.00 52.55 52.98 2gju s ASP 86 Cb 0.10 0.65 0.50 0.00 -0.34 0.00 0.00 42.92 43.83 2gju s ASP 86 CO 0.74 -1.24 1.59 -0.81 0.68 0.00 0.00 175.17 176.13 2gju n PRO 87 N -0.42 2.36 0.18 2.11 -0.05 -1.26 -4.60 135.00 133.33 2gju n PRO 87 Ca -0.03 -2.17 0.07 0.00 -0.05 0.00 0.00 63.50 61.33 2gju n PRO 87 Cb 0.61 -1.89 0.58 0.00 -0.05 0.00 0.00 33.50 32.75 2gju n PRO 87 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 2gju h LYS 88 N 1.24 0.15 -0.90 0.54 1.79 -1.99 -2.04 116.57 115.37 2gju h LYS 88 Ca 0.34 -0.01 0.26 0.00 -2.18 0.00 0.00 60.65 59.06 2gju h LYS 88 Cb 2.15 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 32.73 2gju h LYS 88 CO 0.68 0.10 0.66 0.10 -1.08 0.00 0.00 179.45 179.91 2gju h TYR 89 N 0.15 0.00 0.00 -1.35 -0.00 -2.03 0.57 116.97 114.31 2gju h TYR 89 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.77 2gju h TYR 89 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2gju h TYR 89 CO -0.00 0.00 -0.05 0.82 -0.00 0.00 0.00 178.16 178.93 2gju h ILE 90 N 0.00 1.01 0.00 -0.90 2.04 -1.75 -2.61 117.51 115.29 2gju h ILE 90 Ca 0.43 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2gju h ILE 90 Cb 1.74 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2gju h ILE 90 CO -0.00 0.05 0.00 0.47 0.00 0.00 0.00 178.15 178.67 2gju n ASP 91 N -4.43 0.13 -0.00 1.72 8.00 0.19 -2.23 116.55 119.92 2gju n ASP 91 Ca -0.03 0.54 0.07 0.00 0.71 0.00 0.00 54.79 56.08 2gju n ASP 91 Cb 0.14 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.54 2gju n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2gju n LYS 92 N -1.65 0.65 -1.86 -1.24 5.02 -0.98 -4.97 118.16 113.13 2gju n LYS 92 Ca 0.02 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 2gju n LYS 92 Cb 0.13 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 2gju n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gju s LEU 93 N -4.89 3.76 -1.38 -0.35 1.43 -0.95 -4.89 118.68 111.42 2gju s LEU 93 Ca -0.07 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 55.52 2gju s LEU 93 Cb 0.12 -4.42 0.08 0.00 0.03 0.00 0.00 46.19 42.00 2gju s LEU 93 CO 0.87 -1.62 2.04 -0.62 0.23 0.00 0.00 176.35 177.25 2gju n GLU 94 N -1.30 3.13 -4.07 1.70 -0.58 -1.26 -4.90 120.64 113.35 2gju n GLU 94 Ca 0.12 -2.99 -0.08 0.00 -0.42 0.00 0.00 57.16 53.79 2gju n GLU 94 Cb 0.47 -3.20 -0.10 0.00 -0.57 0.00 0.00 31.44 28.03 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 2.48 0.24 0.62 -3.67 -4.36 -1.26 -5.14 121.20 110.11 2gju s ILE 95 Ca 0.46 -1.63 -0.18 0.00 -0.26 0.00 0.00 60.65 59.04 2gju s ILE 95 Cb 0.11 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.51 2gju s ILE 95 CO -0.04 -0.88 0.82 -2.65 0.24 0.00 0.00 174.94 172.43 2gju n PRO 96 N 0.42 0.69 -0.32 0.37 -0.02 -1.26 -4.77 135.00 130.11 2gju n PRO 96 Ca -0.16 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 2gju n PRO 96 Cb 0.60 -2.04 0.27 0.00 -0.02 0.00 0.00 33.50 32.31 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 0.23 0.87 -0.34 2.55 3.45 -2.00 -1.97 116.42 119.21 2gju h ASP 97 Ca -0.47 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 56.95 2gju h ASP 97 Cb 1.37 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.98 2gju h ASP 97 CO 0.49 0.49 -0.03 1.12 -1.57 0.00 0.00 179.24 179.73 2gju h HIS 98 N 0.94 0.77 -0.22 4.55 2.07 -2.00 -2.48 115.15 118.78 2gju h HIS 98 Ca 0.45 -0.11 -0.17 0.00 -2.85 0.00 0.00 60.37 57.69 2gju h HIS 98 Cb 0.45 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 2gju h HIS 98 CO -0.00 0.74 -0.57 1.25 -3.07 0.00 0.00 177.93 176.28 2gju h LEU 99 N 0.67 0.76 -0.82 6.12 5.85 -1.73 -2.26 115.31 123.91 2gju h LEU 99 Ca 0.13 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.51 2gju h LEU 99 Cb 0.46 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2gju h LEU 99 CO 0.02 1.17 0.49 0.11 -0.34 0.00 0.00 178.44 179.89 2gju h LYS 100 N 0.52 0.85 0.23 1.25 1.57 -1.13 0.49 116.57 120.34 2gju h LYS 100 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2gju h LYS 100 Cb 1.14 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2gju h LYS 100 CO 0.11 0.56 -0.11 0.00 -0.57 0.00 0.00 179.45 179.44 2gju h ALA 101 N 1.41 -0.31 -0.46 3.86 0.00 -1.21 -1.72 119.26 120.84 2gju h ALA 101 Ca 0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2gju h ALA 101 Cb 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gju h ALA 101 CO -0.19 -0.56 0.09 1.79 0.00 0.00 0.00 179.25 180.37 2gju h THR 102 N -0.53 1.21 -0.31 0.00 1.35 -1.14 -0.78 112.91 112.72 2gju h THR 102 Ca -0.03 -0.77 -0.11 0.00 -0.55 0.00 0.00 66.41 64.95 2gju h THR 102 Cb 0.39 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2gju h THR 102 CO 0.05 0.28 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.31 2gju h LEU 103 N 0.68 0.73 0.11 3.87 3.38 -0.88 0.26 115.31 123.44 2gju h LEU 103 Ca 0.15 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2gju h LEU 103 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2gju h LEU 103 CO 0.00 1.01 -0.17 0.11 0.09 0.00 0.00 178.44 179.48 2gju h LYS 104 N 0.45 -0.32 -0.67 1.13 1.57 -1.10 0.12 116.57 117.75 2gju h LYS 104 Ca 0.06 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2gju h LYS 104 Cb 0.77 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 2gju h LYS 104 CO 0.06 -0.21 0.28 -0.92 -0.57 0.00 0.00 179.45 178.09 2gju h TYR 105 N -0.33 0.49 -0.31 -1.35 3.20 -1.04 -1.43 116.97 116.21 2gju h TYR 105 Ca 0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2gju h TYR 105 Cb 0.34 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2gju h TYR 105 CO -0.17 0.13 0.18 1.15 -1.64 0.00 0.00 178.16 177.81 2gju h THR 106 N 0.47 1.12 -0.48 1.81 2.02 -0.58 -0.41 112.91 116.87 2gju h THR 106 Ca 0.34 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2gju h THR 106 Cb 0.43 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 2gju h THR 106 CO -0.32 0.12 0.10 -0.25 0.37 0.00 0.00 175.52 175.54 2gju h TRP 107 N 0.38 0.16 0.31 3.16 7.01 -0.11 -0.50 115.95 126.37 2gju h TRP 107 Ca 0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 2gju h TRP 107 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2gju h TRP 107 CO -0.04 0.00 -0.15 0.93 -2.79 0.00 0.00 178.44 176.40 2gju h GLU 108 N 0.24 -0.40 -0.26 2.65 5.08 -1.01 -3.14 114.58 117.73 2gju h GLU 108 Ca 0.24 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2gju h GLU 108 Cb 0.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2gju h GLU 108 CO -0.31 -0.10 0.17 0.87 -1.00 0.00 0.00 179.01 178.65 2gju h LYS 109 N -0.72 0.33 -0.32 2.33 1.79 -0.92 -2.31 116.57 116.76 2gju h LYS 109 Ca -0.04 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2gju h LYS 109 Cb 0.49 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2gju h LYS 109 CO 0.07 0.22 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.45 2gju h LEU 110 N 0.34 0.54 0.00 2.94 3.38 -1.11 -3.46 115.31 117.95 2gju h LEU 110 Ca 0.10 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2gju h LEU 110 Cb -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2gju h LEU 110 CO -0.02 0.71 -0.14 0.61 0.09 0.00 0.00 178.44 179.69 2gju n GLY 111 N -0.55 -1.96 0.25 0.83 0.00 -0.87 -1.57 105.19 101.33 2gju n GLY 111 Ca 0.01 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.35 0.88 -0.70 1.61 2.76 -1.90 -1.86 115.15 115.58 2gju h HIS 112 Ca 0.01 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.01 2gju h HIS 112 Cb 0.35 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 2gju h HIS 112 CO 0.00 0.76 0.17 0.93 -1.30 0.00 0.00 177.93 178.49 2gju h GLU 113 N 0.74 1.11 -0.47 5.26 4.39 -2.00 -0.60 114.58 123.01 2gju h GLU 113 Ca 0.17 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 2gju h GLU 113 Cb 0.31 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2gju h GLU 113 CO -0.00 0.98 -0.21 0.78 -1.16 0.00 0.00 179.01 179.40 2gju h GLY 114 N 1.08 1.04 1.46 -3.84 0.00 -1.17 -1.82 103.07 99.83 2gju h GLY 114 Ca 0.22 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 2gju h GLY 114 CO 0.00 0.83 -0.25 3.21 0.00 0.00 0.00 176.54 180.33 2gju h ARG 115 N 0.83 0.62 -0.25 4.80 3.08 -1.14 -2.63 114.38 119.69 2gju h ARG 115 Ca 0.11 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 2gju h ARG 115 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2gju h ARG 115 CO 0.06 0.82 -0.28 0.93 -1.07 0.00 0.00 179.97 180.43 2gju h GLU 116 N 0.54 0.50 -0.48 0.04 4.39 -0.95 -1.98 114.58 116.64 2gju h GLU 116 Ca 0.07 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2gju h GLU 116 Cb 0.72 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2gju h GLU 116 CO 0.06 0.73 0.30 -0.92 -1.16 0.00 0.00 179.01 178.02 2gju h TYR 117 N 0.43 0.62 -0.60 4.33 5.03 -0.98 -1.67 116.97 124.12 2gju h TYR 117 Ca 0.06 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 2gju h TYR 117 Cb 0.72 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.77 2gju h TYR 117 CO 0.02 0.41 0.16 -0.07 -1.32 0.00 0.00 178.16 177.36 2gju h LEU 118 N 0.64 0.87 -1.95 2.82 3.38 -1.20 -2.28 115.31 117.59 2gju h LEU 118 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2gju h LEU 118 Cb -0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2gju h LEU 118 CO -0.04 0.84 -0.11 0.03 0.09 0.00 0.00 178.44 179.26 2gju h ARG 119 N 0.90 0.00 0.00 1.13 3.08 -0.59 -1.85 114.38 117.04 2gju h ARG 119 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2gju h ARG 119 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2gju h ARG 119 CO -0.00 0.11 -0.32 -0.25 -1.07 0.00 0.00 179.97 178.43 2gju n ASP 120 N -3.63 0.44 -4.73 7.04 8.00 -0.70 -4.90 116.55 118.07 2gju n ASP 120 Ca -0.02 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 2gju n ASP 120 Cb 0.23 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 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 -3.46 4.39 0.91 0.64 1.43 -0.70 -5.00 118.68 116.89 2gju s LEU 121 Ca 0.11 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 2gju s LEU 121 Cb 0.16 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.92 2gju s LEU 121 CO 0.64 -0.65 1.09 -2.84 0.23 0.00 0.00 176.35 174.83 2gju s PRO 122 N 0.43 1.12 -0.23 1.29 0.02 -1.25 -4.64 135.00 131.74 2gju s PRO 122 Ca 0.62 0.78 0.11 0.00 0.02 0.00 0.00 61.00 62.52 2gju s PRO 122 Cb -0.39 -1.80 -0.21 0.00 0.02 0.00 0.00 34.50 32.12 2gju s PRO 122 CO 0.35 -2.32 -0.07 -0.89 -0.33 0.00 0.00 177.00 173.74 2gju n ILE 123 N -3.93 1.44 -4.80 2.83 5.41 -1.26 -1.57 119.36 117.48 2gju n ILE 123 Ca 0.07 -0.73 -0.33 0.00 1.00 0.00 0.00 62.75 62.76 2gju n ILE 123 Cb 0.55 -0.91 -0.13 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.50 2.78 -0.27 1.39 2.02 -1.26 -4.55 117.35 114.96 2gju s TYR 124 Ca -0.22 -0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.29 2gju s TYR 124 Cb 0.07 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 2gju s TYR 124 CO 0.72 0.22 0.08 -1.17 -1.57 0.00 0.00 175.55 173.83 2gju s LEU 125 N -0.71 3.60 -0.20 -1.29 2.96 -0.01 -4.96 118.68 118.08 2gju s LEU 125 Ca 0.11 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2gju s LEU 125 Cb -0.11 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.72 2gju s LEU 125 CO 0.01 -0.09 0.02 -0.69 -1.32 0.00 0.00 176.35 174.28 2gju s VAL 126 N 1.59 0.71 0.00 1.68 1.01 -1.26 0.01 120.40 124.13 2gju s VAL 126 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2gju s VAL 126 Cb -0.16 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2gju s VAL 126 CO 0.04 -0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.28 2gju n ASP 127 N 4.98 0.00 -3.89 3.32 2.03 -1.00 -5.02 116.55 116.98 2gju n ASP 127 Ca -0.09 -0.54 -0.11 0.00 0.52 0.00 0.00 54.79 54.57 2gju n ASP 127 Cb 0.47 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.74 2gju n ASP 127 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2gju s LYS 128 N -0.61 0.17 -0.26 -0.67 -2.85 -1.26 -0.37 119.74 113.89 2gju s LYS 128 Ca 0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 55.97 54.77 2gju s LYS 128 Cb 0.00 0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 2gju s LYS 128 CO 0.00 -0.03 -0.00 0.42 0.10 0.00 0.00 175.35 175.84 2gju s ILE 129 N -0.50 3.46 0.00 3.79 1.01 0.01 -4.91 121.20 124.06 2gju s ILE 129 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2gju s ILE 129 Cb -0.04 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2gju s ILE 129 CO -0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2gju n GLY 130 N 4.78 1.57 1.15 6.18 0.00 -1.19 -1.69 105.19 115.99 2gju n GLY 130 Ca -0.16 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 12.84 2.50 -3.29 1.61 -0.00 -1.26 -4.94 118.16 125.62 2gju n LYS 131 Ca 0.00 -2.30 -0.38 0.00 -0.00 0.00 0.00 58.31 55.63 2gju n LYS 131 Cb 0.00 -1.51 -0.06 0.00 -0.00 0.00 0.00 35.03 33.46 2gju n LYS 131 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2gju s ASN 132 N -1.41 6.67 0.15 -5.58 0.01 -0.68 -5.06 114.94 109.04 2gju s ASN 132 Ca 0.39 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 53.03 2gju s ASN 132 Cb 0.22 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 2gju s ASN 132 CO 0.31 -0.04 1.18 -1.61 -1.51 0.00 0.00 177.10 175.43 2gju s GLU 133 N 0.85 4.50 0.10 -0.60 0.41 -1.26 -0.81 118.70 121.88 2gju s GLU 133 Ca 0.26 1.82 0.04 0.00 -0.41 0.00 0.00 54.97 56.67 2gju s GLU 133 Cb -0.15 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 2gju s GLU 133 CO 0.10 -0.10 -0.10 0.96 -0.49 0.00 0.00 175.26 175.64 2gju s ILE 134 N 0.20 0.93 0.03 -1.63 -5.25 0.50 -0.26 121.20 115.71 2gju s ILE 134 Ca 0.54 -1.69 0.04 0.00 -0.99 0.00 0.00 60.65 58.55 2gju s ILE 134 Cb -0.31 -1.42 -0.02 0.00 2.95 0.00 0.00 42.46 43.67 2gju s ILE 134 CO 0.34 -0.60 -0.13 0.12 -1.79 0.00 0.00 174.94 172.88 2gju s PHE 135 N -2.60 1.15 -0.03 1.37 2.19 -0.57 -2.37 117.98 117.13 2gju s PHE 135 Ca 0.07 -0.32 -0.05 0.00 0.33 0.00 0.00 56.93 56.96 2gju s PHE 135 Cb -0.02 -0.70 0.01 0.00 -1.31 0.00 0.00 43.02 41.00 2gju s PHE 135 CO -0.00 0.02 0.12 0.20 1.83 0.00 0.00 175.22 177.38 2gju s GLY 136 N -0.93 -0.02 0.02 13.12 0.00 0.10 -0.30 107.32 119.32 2gju s GLY 136 Ca 0.02 0.12 -0.23 0.00 0.00 0.00 0.00 44.72 44.63 2gju s GLY 136 CO 0.01 0.04 0.52 0.54 0.00 0.00 0.00 173.10 174.21 2gju s VAL 137 N -0.52 0.03 0.04 1.40 0.11 -0.55 -0.83 120.40 120.09 2gju s VAL 137 Ca -0.06 -0.23 -0.33 0.00 -2.93 0.00 0.00 61.98 58.43 2gju s VAL 137 Cb -0.04 -0.94 -0.18 0.00 -1.53 0.00 0.00 36.38 33.69 2gju s VAL 137 CO 0.00 -0.13 1.40 0.22 -3.33 0.00 0.00 175.10 173.27 2gju h TYR 138 N 2.94 -1.04 0.00 1.54 5.03 -1.80 -3.29 116.97 120.34 2gju h TYR 138 Ca -0.30 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.99 2gju h TYR 138 Cb 1.20 0.35 0.00 0.00 1.55 0.00 0.00 36.73 39.82 2gju h TYR 138 CO 0.38 -0.64 0.00 0.41 -1.32 0.00 0.00 178.16 176.99 2gju n GLY 139 N -1.24 0.74 3.40 1.82 0.00 0.26 -1.55 105.19 108.63 2gju n GLY 139 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.39 -0.38 0.42 1.61 1.04 -0.99 -4.09 113.70 109.93 2gju s SER 140 Ca 0.00 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.30 2gju s SER 140 Cb 0.00 0.55 0.91 0.00 0.10 0.00 0.00 66.02 67.58 2gju s SER 140 CO 0.00 -0.94 2.04 -0.65 0.98 0.00 0.00 173.24 174.67 2gju h PRO 141 N 2.18 0.49 -0.05 4.02 0.11 -1.94 -2.05 132.00 134.76 2gju h PRO 141 Ca -0.33 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.58 2gju h PRO 141 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2gju h PRO 141 CO 0.41 0.33 -0.73 0.28 -0.21 0.00 0.00 178.00 178.08 2gju h VAL 142 N 0.51 1.41 -2.04 3.15 2.07 -1.96 -3.41 116.25 115.97 2gju h VAL 142 Ca 0.18 -2.21 -0.34 0.00 0.82 0.00 0.00 66.70 65.15 2gju h VAL 142 Cb 0.08 2.17 -0.32 0.00 -1.52 0.00 0.00 31.29 31.70 2gju h VAL 142 CO -0.04 0.66 -0.65 0.21 0.02 0.00 0.00 177.57 177.76 2gju s ASN 143 N -6.94 1.41 0.27 0.57 3.84 -0.82 -5.01 114.94 108.26 2gju s ASN 143 Ca -0.04 -1.07 -0.03 0.00 0.21 0.00 0.00 52.86 51.93 2gju s ASN 143 Cb 0.11 0.56 0.58 0.00 -0.55 0.00 0.00 41.25 41.95 2gju s ASN 143 CO 0.82 -0.34 1.62 -0.65 -2.79 0.00 0.00 177.10 175.77 2gju h PRO 144 N 7.77 0.10 0.00 0.43 0.11 -1.68 0.12 132.00 138.86 2gju h PRO 144 Ca -0.06 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.80 2gju h PRO 144 Cb 1.07 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2gju h PRO 144 CO 0.28 0.07 -2.08 1.19 -0.21 0.00 0.00 178.00 177.24 2gju n PHE 145 N -5.35 0.00 0.70 0.65 3.72 -1.26 0.90 117.46 116.82 2gju n PHE 145 Ca 0.18 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.65 2gju n PHE 145 Cb 0.59 -0.74 -0.08 0.00 -0.94 0.00 0.00 39.48 38.31 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 -2.52 0.72 -4.77 4.37 10.43 -1.22 -4.60 116.55 118.95 2gju n ASP 146 Ca -0.23 -0.86 -0.37 0.00 2.57 0.00 0.00 54.79 55.90 2gju n ASP 146 Cb 0.93 0.99 -0.03 0.00 1.84 0.00 0.00 41.12 44.86 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 -2.40 2.81 -0.16 0.44 0.00 0.39 -4.99 107.32 103.41 2gju s GLY 147 Ca 0.06 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.61 2gju s GLY 147 CO 0.61 1.32 -0.01 1.85 0.00 0.00 0.00 173.10 176.86 2gju s GLU 148 N -2.39 1.03 -0.35 2.90 2.12 -1.26 -3.83 118.70 116.91 2gju s GLU 148 Ca 0.58 -0.38 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2gju s GLU 148 Cb -0.27 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 2gju s GLU 148 CO 0.33 -0.48 0.46 0.42 -0.54 0.00 0.00 175.26 175.45 2gju s ILE 149 N 1.77 5.07 0.42 -3.70 1.01 -1.26 -5.02 121.20 119.49 2gju s ILE 149 Ca 0.01 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 2gju s ILE 149 Cb -0.15 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.31 2gju s ILE 149 CO -0.07 -0.18 1.03 -0.76 0.00 0.00 0.00 174.94 174.95 2gju s LEU 150 N 2.25 4.06 0.64 2.97 1.43 -1.26 -2.59 118.68 126.18 2gju s LEU 150 Ca 0.16 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2gju s LEU 150 Cb -0.16 -4.31 0.05 0.00 0.03 0.00 0.00 46.19 41.80 2gju s LEU 150 CO 0.13 -0.51 0.93 -2.16 0.23 0.00 0.00 176.35 174.96 2gju s PRO 151 N -2.73 2.36 -1.17 1.29 0.04 -1.26 -4.49 135.00 129.04 2gju s PRO 151 Ca 0.60 -0.42 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 2gju s PRO 151 Cb -0.19 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.08 2gju s PRO 151 CO 0.24 -1.03 1.02 -0.25 0.04 0.00 0.00 177.00 177.02 2gju n ASP 152 N -2.70 -5.53 -4.66 6.66 8.00 -1.26 -5.04 116.55 112.03 2gju n ASP 152 Ca 0.08 -0.47 -0.24 0.00 0.71 0.00 0.00 54.79 54.87 2gju n ASP 152 Cb 0.60 -4.45 -0.08 0.00 -0.02 0.00 0.00 41.12 37.18 2gju n ASP 152 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2gju s GLN 153 N -6.07 2.19 0.86 -1.24 -1.52 -1.26 -5.11 119.66 107.50 2gju s GLN 153 Ca 0.47 -1.63 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 2gju s GLN 153 Cb -0.21 -2.04 0.11 0.00 -0.22 0.00 0.00 33.01 30.65 2gju s GLN 153 CO 0.63 0.18 1.09 -1.25 -0.25 0.00 0.00 175.29 175.70 2gju s PRO 154 N -3.73 1.52 0.30 2.91 0.04 -1.26 -4.90 135.00 129.88 2gju s PRO 154 Ca 0.35 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2gju s PRO 154 Cb -0.02 -1.83 0.70 0.00 0.04 0.00 0.00 34.50 33.39 2gju s PRO 154 CO 0.20 -2.09 1.80 1.15 0.04 0.00 0.00 177.00 178.10 2gju h THR 155 N -1.45 0.78 -0.92 1.26 2.02 -1.99 -1.26 112.91 111.35 2gju h THR 155 Ca -0.48 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 66.55 2gju h THR 155 Cb 1.27 -0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 2gju h THR 155 CO 0.53 0.15 0.59 0.77 0.37 0.00 0.00 175.52 177.93 2gju h SER 156 N 0.83 0.74 0.09 4.18 4.64 -1.97 0.14 113.55 122.20 2gju h SER 156 Ca 0.54 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2gju h SER 156 Cb 0.77 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2gju h SER 156 CO -0.32 0.39 -0.04 0.22 -0.87 0.00 0.00 176.83 176.20 2gju h TYR 157 N 0.79 -0.11 -0.09 4.77 3.20 -1.57 -2.36 116.97 121.60 2gju h TYR 157 Ca 0.45 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.20 2gju h TYR 157 Cb 0.62 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2gju h TYR 157 CO -0.00 -0.07 -0.48 1.88 -1.64 0.00 0.00 178.16 177.85 2gju h TYR 158 N -0.12 0.26 -0.72 -3.82 0.05 -1.32 -3.01 116.97 108.29 2gju h TYR 158 Ca -0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2gju h TYR 158 Cb 0.09 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 2gju h TYR 158 CO -0.07 0.65 0.37 1.49 -1.05 0.00 0.00 178.16 179.55 2gju h GLU 159 N 0.17 1.02 -0.13 4.88 4.81 -0.57 -0.83 114.58 123.94 2gju h GLU 159 Ca 0.01 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2gju h GLU 159 Cb 0.91 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2gju h GLU 159 CO 0.07 0.79 -0.33 0.00 -0.73 0.00 0.00 179.01 178.80 2gju h ALA 160 N 1.18 1.20 -0.00 2.92 0.00 -1.32 -1.95 119.26 121.30 2gju h ALA 160 Ca 0.25 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2gju h ALA 160 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2gju h ALA 160 CO -0.04 0.53 -0.82 0.82 0.00 0.00 0.00 179.25 179.75 2gju h ILE 161 N 0.22 1.54 0.00 0.00 2.04 -1.33 -3.24 117.51 116.73 2gju h ILE 161 Ca 0.03 -2.67 -0.15 0.00 1.00 0.00 0.00 64.86 63.07 2gju h ILE 161 Cb 0.70 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2gju h ILE 161 CO 0.05 0.77 -0.73 -0.03 0.00 0.00 0.00 178.15 178.21 2gju h MET 162 N 0.04 0.00 -0.50 2.37 4.05 -0.91 -3.37 114.93 116.61 2gju h MET 162 Ca -0.02 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 2gju h MET 162 Cb 1.43 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.13 2gju h MET 162 CO 0.11 0.73 -0.21 -0.09 0.23 0.00 0.00 176.91 177.68 2gju h ARG 163 N 0.00 -0.10 0.00 0.39 2.43 -1.38 0.57 114.38 116.29 2gju h ARG 163 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gju h ARG 163 Cb 1.55 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2gju h ARG 163 CO 0.10 -0.06 0.00 -2.30 -1.51 0.00 0.00 179.97 176.19 2gju n PRO 164 N -5.41 0.05 -1.39 0.20 -0.02 -1.26 -1.59 135.00 125.59 2gju n PRO 164 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2gju n PRO 164 Cb 0.31 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.78 1.39 0.46 -1.45 0.24 0.07 -4.84 118.33 112.42 2gju n VAL 165 Ca 0.00 -2.58 0.05 0.00 -2.04 0.00 0.00 64.34 59.77 2gju n VAL 165 Cb 0.05 0.25 0.25 0.00 -1.47 0.00 0.00 33.84 32.92 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 -0.45 0.11 0.11 7.34 2.85 -0.46 -1.72 118.16 125.95 2gju n LYS 166 Ca 0.17 0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.78 2gju n LYS 166 Cb 0.90 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 34.20 2gju n LYS 166 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2gju n GLU 167 N -1.34 0.25 -3.68 -1.58 0.28 -1.26 -4.78 120.64 108.54 2gju n GLU 167 Ca 0.04 0.26 -0.34 0.00 -0.16 0.00 0.00 57.16 56.97 2gju n GLU 167 Cb 0.09 -1.83 -0.05 0.00 1.43 0.00 0.00 31.44 31.09 2gju n GLU 167 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2gju s TYR 168 N -3.15 3.56 0.18 -1.84 1.51 -0.70 -4.90 117.35 112.02 2gju s TYR 168 Ca 0.09 0.65 0.14 0.00 -1.01 0.00 0.00 57.07 56.94 2gju s TYR 168 Cb 0.12 -2.05 0.40 0.00 -0.11 0.00 0.00 41.96 40.31 2gju s TYR 168 CO 0.55 0.55 1.61 0.93 -1.11 0.00 0.00 175.55 178.08 2gju h GLU 169 N 3.68 0.00 -3.25 -0.62 4.39 -0.93 -3.43 114.58 114.42 2gju h GLU 169 Ca -0.49 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.04 2gju h GLU 169 Cb 1.19 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.58 2gju h GLU 169 CO 0.67 0.55 -0.47 1.41 -1.16 0.00 0.00 179.01 180.01 2gju s MET 170 N -3.47 0.26 -0.21 2.33 1.75 -1.22 -1.31 119.30 117.43 2gju s MET 170 Ca -0.00 0.24 -0.03 0.00 -1.25 0.00 0.00 55.69 54.65 2gju s MET 170 Cb 0.11 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.90 2gju s MET 170 CO 0.74 -0.04 -0.06 -1.17 -0.65 0.00 0.00 175.02 173.84 2gju s LEU 171 N 0.01 2.84 -0.22 4.11 2.96 0.73 -1.51 118.68 127.60 2gju s LEU 171 Ca -0.01 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2gju s LEU 171 Cb -0.02 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 2gju s LEU 171 CO 0.00 0.00 0.06 -0.76 -1.32 0.00 0.00 176.35 174.33 2gju s LEU 172 N 1.35 3.54 0.08 -0.68 1.43 0.60 -0.23 118.68 124.76 2gju s LEU 172 Ca 0.04 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2gju s LEU 172 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2gju s LEU 172 CO -0.03 0.05 -0.07 0.68 0.23 0.00 0.00 176.35 177.21 2gju s VAL 173 N 1.09 0.66 -0.13 -1.59 -7.23 -0.42 -1.48 120.40 111.30 2gju s VAL 173 Ca 0.04 -1.59 0.18 0.00 -1.81 0.00 0.00 61.98 58.80 2gju s VAL 173 Cb -0.14 -1.25 -0.26 0.00 0.56 0.00 0.00 36.38 35.28 2gju s VAL 173 CO 0.03 -0.66 0.20 0.00 -0.31 0.00 0.00 175.10 174.36 2gju n ALA 174 N 0.58 1.94 -0.14 1.32 0.00 -0.59 -4.28 120.51 119.34 2gju n ALA 174 Ca -0.16 -1.00 0.25 0.00 0.00 0.00 0.00 53.44 52.52 2gju n ALA 174 Cb 0.58 -0.34 0.68 0.00 0.00 0.00 0.00 19.45 20.37 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 0.06 0.28 0.00 4.64 -1.51 -1.87 113.55 115.15 2gju h SER 175 Ca -0.34 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2gju h SER 175 Cb 1.76 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2gju h SER 175 CO 0.02 0.03 -0.04 -0.65 -0.87 0.00 0.00 176.83 175.32 2gju h PRO 176 N 0.06 0.00 0.00 4.77 0.11 -1.76 -3.43 132.00 131.76 2gju h PRO 176 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2gju h PRO 176 Cb 1.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.56 2gju h PRO 176 CO -0.03 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.34 2gju n ARG 177 N -3.38 0.00 -4.43 1.05 5.12 -0.71 -4.47 116.66 109.85 2gju n ARG 177 Ca -0.02 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.68 2gju n ARG 177 Cb 0.16 -2.67 -0.10 0.00 -1.16 0.00 0.00 32.46 28.69 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 -0.61 2.10 0.20 -1.55 2.02 -1.26 -3.06 117.35 115.19 2gju s TYR 178 Ca 0.00 -0.41 -0.32 0.00 -0.37 0.00 0.00 57.07 55.97 2gju s TYR 178 Cb 0.00 -0.94 -0.13 0.00 -0.40 0.00 0.00 41.96 40.50 2gju s TYR 178 CO 0.00 0.59 1.64 -2.30 -1.57 0.00 0.00 175.55 173.90 2gju n PRO 179 N -0.46 2.50 -3.84 -1.71 -0.02 -1.26 -3.97 135.00 126.25 2gju n PRO 179 Ca -0.07 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.17 2gju n PRO 179 Cb 0.60 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.81 1.47 -0.43 2.45 2.96 -0.22 -4.92 118.68 120.80 2gju s LEU 180 Ca 0.75 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 2gju s LEU 180 Cb -0.57 -0.06 0.17 0.00 0.50 0.00 0.00 46.19 46.22 2gju s LEU 180 CO 0.37 -0.07 0.43 -0.62 -1.32 0.00 0.00 176.35 175.14 2gju s ASP 181 N 0.61 0.77 -0.36 3.68 3.68 -1.25 -1.10 116.67 122.70 2gju s ASP 181 Ca -0.05 -2.51 -0.11 0.00 2.13 0.00 0.00 52.55 52.01 2gju s ASP 181 Cb -0.08 0.26 0.02 0.00 -1.45 0.00 0.00 42.92 41.67 2gju s ASP 181 CO -0.02 -0.16 0.21 0.00 0.13 0.00 0.00 175.17 175.33 2gju s ALA 182 N 0.49 3.30 0.10 3.66 0.00 -0.04 -4.95 121.76 124.32 2gju s ALA 182 Ca 0.29 -1.64 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 2gju s ALA 182 Cb -0.01 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 2gju s ALA 182 CO -0.13 -1.28 0.83 1.41 0.00 0.00 0.00 175.76 176.59 2gju s MET 183 N 1.58 4.58 0.28 0.00 1.75 -1.26 -0.72 119.30 125.51 2gju s MET 183 Ca 0.03 1.21 0.02 0.00 -1.25 0.00 0.00 55.69 55.69 2gju s MET 183 Cb -0.19 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 2gju s MET 183 CO 0.07 0.35 0.12 0.95 -0.65 0.00 0.00 175.02 175.86 2gju s THR 184 N -0.37 0.44 -0.30 10.11 -4.23 -0.35 -4.97 115.64 115.97 2gju s THR 184 Ca 0.40 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.16 2gju s THR 184 Cb -0.22 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.31 2gju s THR 184 CO 0.26 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.11 2gju h MET 185 N 2.32 0.00 -0.40 3.99 -0.00 -1.96 -2.12 114.93 116.76 2gju h MET 185 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.34 2gju h MET 185 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2gju h MET 185 CO 0.57 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 178.14 2gju n TYR 186 N -2.39 0.53 0.00 -0.10 4.02 -1.26 -5.08 117.16 112.87 2gju n TYR 186 Ca 0.01 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 2gju n TYR 186 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 1.14 0.88 3.69 2.72 0.00 -0.80 -4.53 105.19 108.29 2gju n GLY 187 Ca 0.17 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.96 3.81 -0.26 1.61 0.52 -0.43 -1.21 118.95 122.04 2gju s ARG 188 Ca 0.00 -0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 2gju s ARG 188 Cb 0.00 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2gju s ARG 188 CO 0.00 0.40 0.32 0.08 0.02 0.00 0.00 175.30 176.12 2gju s VAL 189 N 0.02 5.23 0.01 3.52 1.01 0.10 -0.19 120.40 130.09 2gju s VAL 189 Ca 0.06 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2gju s VAL 189 Cb -0.12 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2gju s VAL 189 CO 0.01 0.22 -0.16 -0.69 0.00 0.00 0.00 175.10 174.47 2gju s VAL 190 N 1.75 1.25 -0.07 2.92 1.01 0.68 -0.86 120.40 127.07 2gju s VAL 190 Ca 0.13 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2gju s VAL 190 Cb -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 2gju s VAL 190 CO 0.09 0.26 -0.08 0.00 0.00 0.00 0.00 175.10 175.36 2gju n PRO 192 N 4.23 0.10 0.00 0.00 -0.04 -1.26 -1.06 135.00 136.97 2gju n PRO 192 Ca -0.20 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 0.80 -1.49 3.18 0.55 0.00 -1.25 -3.07 105.19 103.90 2gju n GLY 193 Ca 0.07 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 2.91 -0.03 1.61 0.15 -1.17 -4.42 113.70 108.74 2gju s SER 194 Ca 0.00 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 55.98 2gju s SER 194 Cb 0.00 -1.33 -0.08 0.00 -1.71 0.00 0.00 66.02 62.90 2gju s SER 194 CO 0.00 0.12 0.61 0.40 1.20 0.00 0.00 173.24 175.57 2gju h ILE 195 N 5.78 0.00 0.00 6.45 1.08 -0.90 -1.75 117.51 128.17 2gju h ILE 195 Ca -0.24 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 2gju h ILE 195 Cb 1.22 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2gju h ILE 195 CO 0.49 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.56 2gju n GLY 196 N 0.42 1.00 3.12 5.37 0.00 -0.36 -4.02 105.19 110.72 2gju n GLY 196 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.66 3.47 0.13 1.61 5.99 -1.11 -4.73 117.98 122.68 2gju s PHE 197 Ca 0.00 -2.57 -0.33 0.00 0.00 0.00 0.00 56.93 54.03 2gju s PHE 197 Cb 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 43.02 39.64 2gju s PHE 197 CO 0.00 -0.89 1.69 -2.30 -0.00 0.00 0.00 175.22 173.72 2gju n PRO 198 N 3.85 2.37 0.09 10.12 -0.02 -1.26 -4.85 135.00 145.30 2gju n PRO 198 Ca 0.05 0.86 0.09 0.00 -2.02 0.00 0.00 63.50 62.47 2gju n PRO 198 Cb 0.39 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 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 6.94 0.00 0.00 0.52 0.13 -1.89 -2.25 132.00 135.45 2gju h PRO 199 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gju h PRO 199 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2gju h PRO 199 CO 0.92 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 2gju n ALA 200 N -2.23 0.00 -1.59 -0.56 0.00 -1.26 -3.89 120.51 110.97 2gju n ALA 200 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2gju n ALA 200 Cb 0.62 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.16 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 0.66 2.13 -1.51 0.00 1.70 -1.24 -3.09 118.95 117.59 2gju s ARG 201 Ca 0.00 0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 55.82 2gju s ARG 201 Cb 0.00 -1.93 0.04 0.00 -0.57 0.00 0.00 34.95 32.49 2gju s ARG 201 CO 0.00 -1.58 0.41 0.39 -1.08 0.00 0.00 175.30 173.43 2gju n GLU 202 N -3.40 -2.70 -2.28 3.89 -0.58 -1.26 -4.89 120.64 109.42 2gju n GLU 202 Ca 0.07 0.32 -0.39 0.00 -0.42 0.00 0.00 57.16 56.74 2gju n GLU 202 Cb 0.57 -4.44 -0.02 0.00 -0.57 0.00 0.00 31.44 26.97 2gju n GLU 202 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2gju s HIS 203 N -3.90 3.15 -0.02 -0.32 2.46 -1.26 -5.04 115.29 110.36 2gju s HIS 203 Ca 0.17 1.55 0.06 0.00 0.47 0.00 0.00 55.06 57.30 2gju s HIS 203 Cb -0.09 -3.44 -0.01 0.00 -0.13 0.00 0.00 32.58 28.90 2gju s HIS 203 CO 0.92 -1.31 -0.19 0.15 -2.47 0.00 0.00 174.74 171.84 2gju s LYS 204 N -2.04 1.69 -0.01 2.88 1.02 -1.26 -4.83 119.74 117.19 2gju s LYS 204 Ca 0.53 -0.69 -0.33 0.00 0.02 0.00 0.00 55.97 55.50 2gju s LYS 204 Cb -0.33 -1.58 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 2gju s LYS 204 CO 0.42 0.38 1.87 0.00 -0.92 0.00 0.00 175.35 177.10 2gju n ALA 205 N 2.74 1.24 -2.41 5.17 0.00 -0.10 -4.68 120.51 122.46 2gju n ALA 205 Ca -0.16 0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2gju n ALA 205 Cb 0.53 -2.54 -0.16 0.00 0.00 0.00 0.00 19.45 17.28 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 3.72 1.86 0.34 0.00 2.01 -0.66 -0.80 115.64 122.11 2gju s THR 206 Ca 0.89 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 2gju s THR 206 Cb -0.61 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.37 2gju s THR 206 CO 0.46 0.53 0.58 0.72 -0.69 0.00 0.00 174.62 176.22 2gju s PHE 207 N -0.50 0.62 0.12 4.92 -0.71 -0.68 -3.38 117.98 118.38 2gju s PHE 207 Ca 0.07 -1.02 0.07 0.00 -1.04 0.00 0.00 56.93 55.02 2gju s PHE 207 Cb -0.10 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2gju s PHE 207 CO -0.00 -1.24 -0.17 0.00 -1.34 0.00 0.00 175.22 172.47 2gju s ALA 208 N -3.03 1.66 -0.17 1.99 0.00 -0.59 -0.71 121.76 120.91 2gju s ALA 208 Ca 0.24 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2gju s ALA 208 Cb -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2gju s ALA 208 CO 0.15 0.21 -0.16 -0.51 0.00 0.00 0.00 175.76 175.44 2gju s LEU 209 N -2.29 1.96 -0.15 0.00 1.43 0.19 -0.75 118.68 119.07 2gju s LEU 209 Ca 0.09 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2gju s LEU 209 Cb -0.07 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 2gju s LEU 209 CO 0.04 -0.04 -0.07 0.54 0.23 0.00 0.00 176.35 177.06 2gju s VAL 210 N 1.38 3.64 -0.12 -1.59 0.11 -0.40 -1.16 120.40 122.27 2gju s VAL 210 Ca 0.04 -0.45 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 2gju s VAL 210 Cb -0.13 -2.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.09 2gju s VAL 210 CO -0.11 0.51 1.86 -0.62 -3.33 0.00 0.00 175.10 173.40 2gju s ASP 211 N 0.32 6.24 0.63 3.54 -1.08 -0.42 -0.81 116.67 125.08 2gju s ASP 211 Ca -0.06 2.08 0.39 0.00 -0.52 0.00 0.00 52.55 54.44 2gju s ASP 211 Cb -0.15 -2.53 2.09 0.00 -1.46 0.00 0.00 42.92 40.88 2gju s ASP 211 CO 0.04 -1.30 2.27 0.00 0.52 0.00 0.00 175.17 176.70 2gju h ALA 212 N 11.46 1.12 0.02 3.66 0.00 -1.77 0.81 119.26 134.55 2gju h ALA 212 Ca -0.41 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2gju h ALA 212 Cb 1.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2gju h ALA 212 CO 0.97 0.02 -1.72 -1.91 0.00 0.00 0.00 179.25 176.61 2gju n GLU 213 N -3.27 0.60 0.00 0.00 0.00 -1.26 -3.17 120.64 113.54 2gju n GLU 213 Ca -0.02 0.44 0.09 0.00 0.00 0.00 0.00 57.16 57.67 2gju n GLU 213 Cb 0.12 -1.67 -0.07 0.00 0.00 0.00 0.00 31.44 29.82 2gju n GLU 213 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2gju n THR 214 N -4.22 0.00 -0.90 6.31 -2.24 -1.19 -4.96 114.28 107.09 2gju n THR 214 Ca -0.38 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2gju n THR 214 Cb 0.79 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.99 0.81 -4.77 3.22 4.77 0.28 -4.96 117.00 115.36 2gju n LEU 215 Ca 0.05 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 2gju n LEU 215 Cb 0.33 -1.89 -0.01 0.00 -2.33 0.00 0.00 43.42 39.52 2gju n LEU 215 CO 0.33 -0.70 0.81 -1.59 -1.33 0.00 0.00 177.39 174.91 2gju s LYS 216 N -1.41 3.78 -0.16 3.23 -2.85 -1.26 -4.61 119.74 116.47 2gju s LYS 216 Ca 0.00 1.71 -0.05 0.00 -1.00 0.00 0.00 55.97 56.64 2gju s LYS 216 Cb 0.00 -2.38 -0.03 0.00 -2.06 0.00 0.00 37.83 33.35 2gju s LYS 216 CO 0.00 -0.52 0.00 0.08 0.10 0.00 0.00 175.35 175.01 2gju s VAL 217 N -1.59 4.24 -0.08 1.79 1.01 -1.26 -1.31 120.40 123.20 2gju s VAL 217 Ca 0.64 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2gju s VAL 217 Cb -0.27 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2gju s VAL 217 CO 0.33 0.49 -0.16 -0.75 0.00 0.00 0.00 175.10 175.01 2gju s LYS 218 N 0.23 2.88 -0.11 2.72 2.20 -0.31 -4.98 119.74 122.37 2gju s LYS 218 Ca -0.00 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 2gju s LYS 218 Cb -0.13 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2gju s LYS 218 CO 0.02 0.40 0.03 -0.06 -0.36 0.00 0.00 175.35 175.38 2gju s PHE 219 N -0.17 3.23 -0.04 4.03 0.40 -1.26 -0.64 117.98 123.53 2gju s PHE 219 Ca -0.01 0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 2gju s PHE 219 Cb -0.13 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2gju s PHE 219 CO 0.03 0.42 -0.24 0.42 0.70 0.00 0.00 175.22 176.56 2gju s ILE 220 N -0.62 2.23 -0.07 0.64 -1.09 0.11 -5.00 121.20 117.40 2gju s ILE 220 Ca 0.11 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.52 2gju s ILE 220 Cb -0.12 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2gju s ILE 220 CO 0.02 0.58 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.54 2gju s GLU 221 N -0.51 2.10 -0.03 2.79 2.02 -1.26 -1.69 118.70 122.13 2gju s GLU 221 Ca 0.07 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2gju s GLU 221 Cb -0.11 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.45 2gju s GLU 221 CO 0.00 0.10 -0.04 0.54 0.02 0.00 0.00 175.26 175.88 2gju s VAL 222 N 0.48 0.46 0.69 2.63 0.11 0.02 -4.96 120.40 119.82 2gju s VAL 222 Ca -0.14 -0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 2gju s VAL 222 Cb -0.16 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2gju s VAL 222 CO 0.05 0.18 1.08 -1.61 -3.33 0.00 0.00 175.10 171.47 2gju s GLU 223 N 0.54 2.79 0.11 1.54 2.02 -1.26 -0.92 118.70 123.52 2gju s GLU 223 Ca -0.07 1.16 -0.14 0.00 0.02 0.00 0.00 54.97 55.95 2gju s GLU 223 Cb -0.10 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.19 2gju s GLU 223 CO -0.00 -1.23 0.34 1.52 0.02 0.00 0.00 175.26 175.92 2gju s TYR 224 N -2.73 -0.11 -0.37 1.61 -0.85 -1.26 -4.86 117.35 108.78 2gju s TYR 224 Ca 0.62 -0.24 -0.28 0.00 -0.52 0.00 0.00 57.07 56.66 2gju s TYR 224 Cb -0.17 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.37 2gju s TYR 224 CO 0.48 -0.66 1.02 0.34 -1.52 0.00 0.00 175.55 175.22 2gju s ASP 225 N -2.81 6.77 0.21 -0.18 2.15 -1.26 -4.91 116.67 116.64 2gju s ASP 225 Ca 0.03 0.74 0.16 0.00 0.43 0.00 0.00 52.55 53.91 2gju s ASP 225 Cb 0.03 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2gju s ASP 225 CO -0.12 -0.94 1.24 0.11 -0.17 0.00 0.00 175.17 175.30 2gju h LYS 226 N 8.46 0.00 -0.62 4.34 1.57 -1.99 -3.36 116.57 124.97 2gju h LYS 226 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2gju h LYS 226 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 2gju h LYS 226 CO 1.03 0.41 0.23 -0.22 -0.57 0.00 0.00 179.45 180.32 2gju h LYS 227 N 0.00 0.94 0.00 3.15 1.63 -1.99 0.25 116.57 120.55 2gju h LYS 227 Ca -0.05 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 2gju h LYS 227 Cb 1.42 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2gju h LYS 227 CO 0.06 0.81 -0.27 -0.84 -3.45 0.00 0.00 179.45 175.76 2gju h ILE 228 N 0.87 1.13 -0.16 2.00 -0.00 -2.00 0.56 117.51 119.91 2gju h ILE 228 Ca 0.20 -0.93 -0.22 0.00 -0.00 0.00 0.00 64.86 63.91 2gju h ILE 228 Cb 0.24 1.51 0.01 0.00 -0.00 0.00 0.00 36.82 38.58 2gju h ILE 228 CO -0.01 0.26 -0.75 0.40 -0.00 0.00 0.00 178.15 178.05 2gju h ILE 229 N 0.00 1.28 -0.35 0.16 2.04 -1.56 -1.82 117.51 117.26 2gju h ILE 229 Ca -0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2gju h ILE 229 Cb 0.49 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2gju h ILE 229 CO 0.03 0.62 0.23 -0.08 0.00 0.00 0.00 178.15 178.95 2gju h GLU 230 N 0.52 0.46 -0.76 2.37 4.81 -0.23 -1.08 114.58 120.67 2gju h GLU 230 Ca -0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2gju h GLU 230 Cb 1.38 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 2gju h GLU 230 CO 0.16 0.31 0.46 -0.44 -0.73 0.00 0.00 179.01 178.77 2gju h ASP 231 N 0.47 0.92 -0.62 1.04 3.45 -0.86 -1.85 116.42 118.96 2gju h ASP 231 Ca 0.13 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 2gju h ASP 231 Cb -0.05 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.47 2gju h ASP 231 CO -0.03 0.71 0.11 -0.09 -1.57 0.00 0.00 179.24 178.38 2gju h ARG 232 N 1.05 1.01 -0.52 3.56 9.65 -1.01 0.51 114.38 128.62 2gju h ARG 232 Ca 0.27 -0.27 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2gju h ARG 232 Cb -0.04 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 2gju h ARG 232 CO -0.05 0.94 0.33 0.82 2.80 0.00 0.00 179.97 184.81 2gju h ILE 233 N 0.92 1.10 0.01 1.20 2.04 -0.87 -0.11 117.51 121.81 2gju h ILE 233 Ca 0.19 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2gju h ILE 233 Cb 0.41 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2gju h ILE 233 CO 0.01 0.12 -0.01 0.11 0.00 0.00 0.00 178.15 178.38 2gju h LYS 234 N 0.67 -0.02 -0.64 2.37 1.57 -1.02 -1.67 116.57 117.83 2gju h LYS 234 Ca 0.20 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2gju h LYS 234 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2gju h LYS 234 CO -0.06 0.16 0.42 1.25 -0.57 0.00 0.00 179.45 180.65 2gju h LEU 235 N -0.20 0.65 -0.29 2.94 5.85 -0.69 -1.60 115.31 121.97 2gju h LEU 235 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2gju h LEU 235 Cb 0.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2gju h LEU 235 CO 0.00 0.44 -0.05 -0.62 -0.34 0.00 0.00 178.44 177.88 2gju n GLU 236 N -4.46 0.95 -1.37 1.25 -0.58 -0.07 -4.93 120.64 111.42 2gju n GLU 236 Ca 0.08 -0.29 -0.09 0.00 -0.42 0.00 0.00 57.16 56.43 2gju n GLU 236 Cb 0.14 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 2gju n GLU 236 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2gju n LYS 237 N -0.77 -0.63 -1.90 3.49 3.00 -0.60 -5.02 118.16 115.73 2gju n LYS 237 Ca 0.18 0.77 -0.32 0.00 -0.00 0.00 0.00 58.31 58.94 2gju n LYS 237 Cb 0.24 -4.66 0.02 0.00 0.00 0.00 0.00 35.03 30.63 2gju n LYS 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2gju s LEU 238 N -2.09 3.33 0.36 3.14 1.43 -0.69 -4.99 118.68 119.18 2gju s LEU 238 Ca 0.00 1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 54.46 2gju s LEU 238 Cb 0.00 -4.50 -0.12 0.00 0.03 0.00 0.00 46.19 41.60 2gju s LEU 238 CO 0.00 -1.10 1.03 -2.65 0.23 0.00 0.00 176.35 173.86 2gju n PRO 239 N -2.50 1.44 0.26 1.29 -0.02 -1.26 -4.76 135.00 129.45 2gju n PRO 239 Ca 0.07 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2gju n PRO 239 Cb 0.54 -1.99 0.79 0.00 -0.02 0.00 0.00 33.50 32.81 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 1.82 0.00 -0.39 -0.52 4.57 -1.97 -0.34 114.58 117.74 2gju h GLU 240 Ca -0.43 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.80 2gju h GLU 240 Cb 1.33 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 2gju h GLU 240 CO 0.59 0.00 0.26 1.49 -1.18 0.00 0.00 179.01 180.17 2gju h GLU 241 N 0.00 0.32 -0.19 1.92 4.57 -1.99 0.21 114.58 119.42 2gju h GLU 241 Ca 0.02 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2gju h GLU 241 Cb 0.08 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2gju h GLU 241 CO -0.00 0.21 -0.22 0.28 -1.18 0.00 0.00 179.01 178.10 2gju h VAL 242 N 0.33 1.24 -0.13 0.32 2.07 -1.41 0.41 116.25 119.09 2gju h VAL 242 Ca 0.17 -1.11 -0.22 0.00 0.82 0.00 0.00 66.70 66.36 2gju h VAL 242 Cb 0.24 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2gju h VAL 242 CO -0.04 0.35 -0.80 0.40 0.02 0.00 0.00 177.57 177.50 2gju h ILE 243 N 0.31 1.29 -0.78 4.57 2.04 -1.10 -2.08 117.51 121.76 2gju h ILE 243 Ca 0.05 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.85 2gju h ILE 243 Cb 0.56 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2gju h ILE 243 CO 0.04 0.64 0.36 0.50 0.00 0.00 0.00 178.15 179.69 2gju h LYS 244 N 0.48 1.13 -0.55 2.37 3.64 -0.74 -2.09 116.57 120.82 2gju h LYS 244 Ca -0.06 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 2gju h LYS 244 Cb 1.42 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2gju h LYS 244 CO 0.16 0.88 0.05 0.82 -2.27 0.00 0.00 179.45 179.08 2gju h ILE 245 N 1.12 1.26 -0.59 2.00 2.04 -0.86 0.28 117.51 122.75 2gju h ILE 245 Ca 0.27 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.19 2gju h ILE 245 Cb 0.13 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 2gju h ILE 245 CO -0.03 0.37 0.17 0.25 0.00 0.00 0.00 178.15 178.91 2gju h LEU 246 N 0.82 0.11 0.00 1.44 5.85 -0.72 0.26 115.31 123.07 2gju h LEU 246 Ca 0.16 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2gju h LEU 246 Cb 0.47 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 2gju h LEU 246 CO 0.02 0.07 -1.66 -1.22 -0.34 0.00 0.00 178.44 175.31 2gju n TYR 247 N -5.06 0.36 -0.16 1.25 4.01 -0.91 -4.57 117.16 112.07 2gju n TYR 247 Ca 0.08 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2gju n TYR 247 Cb 0.29 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 -2.44 0.00 0.00 -0.72 8.25 0.96 -4.08 115.22 117.19 2gju n HIS 248 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2gju n HIS 248 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 0.11 -1.17 3.67 -1.41 0.00 0.90 -3.70 105.19 103.59 2gju n GLY 249 Ca 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.46 -0.32 0.22 -0.02 0.00 -0.85 -4.43 107.32 98.46 2gju s GLY 250 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 44.72 45.30 2gju s GLY 250 CO 0.00 0.12 0.22 -1.59 0.00 0.00 0.00 173.10 171.85 2gju s LYS 251 N -2.93 3.06 0.00 2.90 -2.85 -1.26 -4.55 119.74 114.11 2gju s LYS 251 Ca 0.12 -0.91 0.19 0.00 -1.00 0.00 0.00 55.97 54.37 2gju s LYS 251 Cb 0.01 -2.68 1.14 0.00 -2.06 0.00 0.00 37.83 34.23 2gju s LYS 251 CO -0.02 0.44 1.53 0.00 0.10 0.00 0.00 175.35 177.41