#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 4.93 0.19 2.03 1.01 -1.26 0.57 120.40 127.87 2gju s VAL 2 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2gju s VAL 2 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2gju s VAL 2 CO 0.00 0.43 -0.14 -0.31 0.00 0.00 0.00 175.10 175.08 2gju s TYR 3 N 0.58 1.64 -0.17 5.22 2.02 0.29 -1.81 117.35 125.12 2gju s TYR 3 Ca 0.05 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 2gju s TYR 3 Cb -0.13 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2gju s TYR 3 CO 0.01 0.30 -0.07 0.08 -1.57 0.00 0.00 175.55 174.30 2gju s VAL 4 N -2.85 3.39 -0.09 0.71 1.01 -0.17 -1.74 120.40 120.66 2gju s VAL 4 Ca 0.20 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 2gju s VAL 4 Cb -0.01 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2gju s VAL 4 CO 0.06 0.48 0.72 0.00 0.00 0.00 0.00 175.10 176.36 2gju s ALA 5 N 0.81 3.37 -0.20 5.51 0.00 -0.58 -0.98 121.76 129.69 2gju s ALA 5 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2gju s ALA 5 Cb -0.15 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 19.99 2gju s ALA 5 CO 0.01 -0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.46 2gju s VAL 6 N 1.08 2.13 0.21 0.00 1.01 0.26 -0.01 120.40 125.08 2gju s VAL 6 Ca 0.37 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.41 2gju s VAL 6 Cb -0.18 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2gju s VAL 6 CO 0.17 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.76 2gju s LEU 7 N 1.27 2.51 0.12 3.92 1.02 0.57 -1.67 118.68 126.43 2gju s LEU 7 Ca 0.03 -0.95 -0.20 0.00 0.02 0.00 0.00 54.13 53.03 2gju s LEU 7 Cb -0.14 -0.94 0.05 0.00 0.02 0.00 0.00 46.19 45.19 2gju s LEU 7 CO -0.11 -0.02 0.51 0.00 0.02 0.00 0.00 176.35 176.75 2gju s ALA 8 N -2.33 -1.29 -1.10 4.21 0.00 -1.26 0.27 121.76 120.27 2gju s ALA 8 Ca 0.22 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 2gju s ALA 8 Cb -0.05 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2gju s ALA 8 CO 0.10 -0.67 0.80 0.09 0.00 0.00 0.00 175.76 176.08 2gju n ASN 9 N -0.16 -5.58 0.01 0.00 3.02 -0.67 -0.96 115.26 110.93 2gju n ASN 9 Ca -0.17 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.35 2gju n ASN 9 Cb 0.64 -3.57 0.05 0.00 -0.61 0.00 0.00 39.78 36.29 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 -1.64 1.33 -4.82 2.41 2.04 -1.35 0.08 117.51 115.56 2gju h ILE 10 Ca -0.63 -1.84 -0.33 0.00 1.00 0.00 0.00 64.86 63.07 2gju h ILE 10 Cb 1.34 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 2gju h ILE 10 CO 0.46 0.57 -0.47 0.00 0.00 0.00 0.00 178.15 178.71 2gju n ALA 11 N -2.52 -0.96 -0.72 1.87 0.00 0.47 -1.00 120.51 117.65 2gju n ALA 11 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2gju n ALA 11 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.07 0.77 3.46 0.00 0.00 0.69 -1.42 105.19 107.63 2gju n GLY 12 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.58 6.57 0.07 1.61 3.84 -0.17 -1.90 114.94 122.38 2gju s ASN 13 Ca 0.00 -1.88 -0.22 0.00 0.21 0.00 0.00 52.86 50.96 2gju s ASN 13 Cb 0.00 -2.42 -0.14 0.00 -0.55 0.00 0.00 41.25 38.14 2gju s ASN 13 CO 0.00 -1.15 1.62 0.15 -2.79 0.00 0.00 177.10 174.93 2gju h PHE 14 N 9.01 0.10 -0.86 0.43 3.57 -1.86 -2.48 116.94 124.85 2gju h PHE 14 Ca 0.12 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.77 2gju h PHE 14 Cb 1.03 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.64 2gju h PHE 14 CO 1.16 0.21 0.43 -1.35 -2.23 0.00 0.00 178.31 176.53 2gju h PRO 15 N -0.03 0.57 -0.35 6.41 0.11 -1.95 0.14 132.00 136.90 2gju h PRO 15 Ca 0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2gju h PRO 15 Cb 0.14 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2gju h PRO 15 CO -0.00 0.38 -0.05 0.00 -0.21 0.00 0.00 178.00 178.11 2gju h ALA 16 N 1.58 0.48 -0.67 -0.75 0.00 -1.86 -1.69 119.26 116.36 2gju h ALA 16 Ca 0.48 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2gju h ALA 16 Cb 0.72 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2gju h ALA 16 CO -0.39 0.30 0.44 1.25 0.00 0.00 0.00 179.25 180.84 2gju h LEU 17 N 0.45 0.75 -0.64 0.00 5.85 -0.85 -1.74 115.31 119.13 2gju h LEU 17 Ca 0.09 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2gju h LEU 17 Cb 0.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2gju h LEU 17 CO 0.03 0.54 0.38 0.74 -0.34 0.00 0.00 178.44 179.79 2gju h THR 18 N 0.88 1.19 -0.87 1.05 2.02 -0.64 -0.82 112.91 115.72 2gju h THR 18 Ca 0.25 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.05 2gju h THR 18 Cb -0.08 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.59 2gju h THR 18 CO -0.06 0.19 0.56 0.00 0.37 0.00 0.00 175.52 176.57 2gju h ALA 19 N 1.20 1.15 -0.05 6.16 0.00 -0.94 -0.46 119.26 126.31 2gju h ALA 19 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2gju h ALA 19 Cb -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2gju h ALA 19 CO -0.04 0.38 -0.00 0.00 0.00 0.00 0.00 179.25 179.58 2gju h ALA 20 N 1.37 0.07 -0.35 0.00 0.00 -0.89 -1.66 119.26 117.79 2gju h ALA 20 Ca 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2gju h ALA 20 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2gju h ALA 20 CO -0.13 -0.25 0.12 -0.07 0.00 0.00 0.00 179.25 178.93 2gju h LEU 21 N -0.22 0.45 -0.56 0.00 3.38 -0.98 -0.83 115.31 116.56 2gju h LEU 21 Ca 0.01 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2gju h LEU 21 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2gju h LEU 21 CO 0.00 0.43 -0.39 -0.33 0.09 0.00 0.00 178.44 178.25 2gju h GLU 22 N 0.50 0.73 -0.76 1.13 5.08 -1.02 -1.26 114.58 118.98 2gju h GLU 22 Ca 0.12 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2gju h GLU 22 Cb 0.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2gju h GLU 22 CO -0.01 0.99 0.34 -0.22 -1.00 0.00 0.00 179.01 179.11 2gju h LYS 23 N 0.60 1.11 -0.54 2.33 1.63 -0.61 -1.22 116.57 119.88 2gju h LYS 23 Ca 0.05 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.61 2gju h LYS 23 Cb 0.93 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 2gju h LYS 23 CO 0.08 0.88 0.05 0.82 -3.45 0.00 0.00 179.45 177.84 2gju h ILE 24 N 1.10 1.24 -0.27 2.00 2.04 -0.95 0.27 117.51 122.95 2gju h ILE 24 Ca 0.26 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 2gju h ILE 24 Cb 0.16 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2gju h ILE 24 CO -0.03 0.35 -0.02 -0.33 0.00 0.00 0.00 178.15 178.13 2gju h GLU 25 N 0.82 0.40 -0.21 2.37 4.39 -0.74 -1.29 114.58 120.33 2gju h GLU 25 Ca 0.17 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 2gju h GLU 25 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2gju h GLU 25 CO 0.01 0.45 -0.41 1.49 -1.16 0.00 0.00 179.01 179.39 2gju h GLU 26 N 0.39 0.64 0.00 2.33 4.81 -0.34 -3.14 114.58 119.27 2gju h GLU 26 Ca 0.09 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 2gju h GLU 26 Cb 0.29 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2gju h GLU 26 CO 0.01 1.03 -0.17 -0.07 -0.73 0.00 0.00 179.01 179.08 2gju h LEU 27 N 0.33 0.00 -1.61 1.64 3.38 -0.10 -1.48 115.31 117.46 2gju h LEU 27 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2gju h LEU 27 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2gju h LEU 27 CO 0.09 0.17 -0.20 0.11 0.09 0.00 0.00 178.44 178.71 2gju h LYS 28 N 0.00 0.00 -0.14 1.13 1.57 -1.19 -0.10 116.57 117.84 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2gju h LYS 28 CO 0.02 0.20 0.00 -0.85 -0.57 0.00 0.00 179.45 178.25 2gju n GLU 29 N -4.26 1.71 -0.28 3.15 0.28 -0.58 -3.62 120.64 117.05 2gju n GLU 29 Ca -0.02 -1.07 0.08 0.00 -0.16 0.00 0.00 57.16 55.99 2gju n GLU 29 Cb 0.26 -1.41 0.20 0.00 1.43 0.00 0.00 31.44 31.91 2gju n GLU 29 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2gju n GLU 30 N 0.29 2.45 0.00 3.44 1.02 -0.12 -4.97 120.64 122.75 2gju n GLU 30 Ca 0.17 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 2gju n GLU 30 Cb 0.33 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -0.66 0.89 3.37 0.62 0.00 -1.13 -5.04 105.19 103.24 2gju n GLY 31 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 3.17 -0.18 1.61 1.51 -0.78 -2.02 117.35 118.66 2gju s TYR 32 Ca 0.00 -0.91 -0.20 0.00 -1.01 0.00 0.00 57.07 54.95 2gju s TYR 32 Cb 0.00 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2gju s TYR 32 CO 0.00 -0.57 0.60 -2.00 -1.11 0.00 0.00 175.55 172.47 2gju s GLU 33 N 1.53 4.24 -0.59 -0.62 2.12 0.19 -3.93 118.70 121.65 2gju s GLU 33 Ca 0.03 0.59 -0.13 0.00 0.36 0.00 0.00 54.97 55.81 2gju s GLU 33 Cb -0.18 -3.55 0.15 0.00 0.26 0.00 0.00 34.13 30.81 2gju s GLU 33 CO 0.04 -0.15 0.51 0.42 -0.54 0.00 0.00 175.26 175.54 2gju s ILE 34 N 1.63 4.94 0.30 -3.70 -1.09 -1.26 0.10 121.20 122.13 2gju s ILE 34 Ca 0.28 -1.86 0.11 0.00 -2.23 0.00 0.00 60.65 56.96 2gju s ILE 34 Cb -0.16 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2gju s ILE 34 CO 0.11 -0.88 1.68 1.05 -1.23 0.00 0.00 174.94 175.67 2gju h GLU 35 N 8.44 0.00 -2.49 2.79 4.11 -1.71 -3.47 114.58 122.25 2gju h GLU 35 Ca -0.18 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.38 2gju h GLU 35 Cb 1.07 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 2gju h GLU 35 CO 0.91 0.53 0.42 -1.59 0.07 0.00 0.00 179.01 179.36 2gju s LYS 36 N -3.79 1.20 -0.03 1.06 -2.85 -1.26 -4.46 119.74 109.61 2gju s LYS 36 Ca -0.02 -0.60 0.06 0.00 -1.00 0.00 0.00 55.97 54.42 2gju s LYS 36 Cb 0.13 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.34 2gju s LYS 36 CO 0.75 -0.54 -0.22 0.71 0.10 0.00 0.00 175.35 176.15 2gju s TYR 37 N -3.38 2.02 -0.21 1.78 1.51 0.50 -1.52 117.35 118.05 2gju s TYR 37 Ca 0.09 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2gju s TYR 37 Cb -0.02 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.51 2gju s TYR 37 CO -0.01 -0.08 -0.08 0.71 -1.11 0.00 0.00 175.55 174.97 2gju s TYR 38 N -0.39 2.91 -0.26 2.71 2.02 0.99 -1.32 117.35 124.01 2gju s TYR 38 Ca 0.05 -1.09 0.01 0.00 -0.37 0.00 0.00 57.07 55.67 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 0.00 -0.60 -0.08 0.42 -1.57 0.00 0.00 175.55 173.72 2gju s ILE 39 N 1.39 2.51 0.01 2.71 1.01 0.17 -0.31 121.20 128.69 2gju s ILE 39 Ca 0.05 -1.37 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 2gju s ILE 39 Cb -0.14 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2gju s ILE 39 CO -0.05 0.06 0.31 -0.76 0.00 0.00 0.00 174.94 174.50 2gju s LEU 40 N 1.21 4.38 1.28 2.97 1.02 0.14 -1.43 118.68 128.24 2gju s LEU 40 Ca -0.05 0.67 -0.17 0.00 0.02 0.00 0.00 54.13 54.60 2gju s LEU 40 Cb -0.18 -2.67 0.32 0.00 0.02 0.00 0.00 46.19 43.67 2gju s LEU 40 CO -0.05 0.26 0.99 -0.83 0.02 0.00 0.00 176.35 176.74 2gju s GLY 41 N -1.55 1.49 0.14 -3.19 0.00 -0.61 -1.67 107.32 101.92 2gju s GLY 41 Ca 0.27 -0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 2gju s GLY 41 CO 0.15 0.36 1.38 -1.31 0.00 0.00 0.00 173.10 173.67 2gju s ASN 42 N -2.91 6.83 -0.05 1.64 0.01 -1.26 -1.94 114.94 117.26 2gju s ASN 42 Ca 0.69 2.37 -0.24 0.00 -0.71 0.00 0.00 52.86 54.96 2gju s ASN 42 Cb -0.19 -2.59 -0.24 0.00 0.41 0.00 0.00 41.25 38.64 2gju s ASN 42 CO 0.61 -0.63 1.02 0.40 -1.51 0.00 0.00 177.10 176.99 2gju h ILE 43 N 4.09 1.54 -4.29 0.60 1.08 -1.87 0.18 117.51 118.84 2gju h ILE 43 Ca -0.43 -2.02 -0.36 0.00 -0.39 0.00 0.00 64.86 61.66 2gju h ILE 43 Cb 1.21 2.80 -0.08 0.00 -3.07 0.00 0.00 36.82 37.68 2gju h ILE 43 CO 0.84 0.56 -0.29 1.33 -0.69 0.00 0.00 178.15 179.89 2gju n VAL 44 N -4.45 0.00 0.00 1.67 0.24 -1.26 -0.22 118.33 114.31 2gju n VAL 44 Ca -0.10 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 2gju n VAL 44 Cb 0.54 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.58 1.38 0.73 7.63 0.00 -1.26 -4.34 105.19 109.91 2gju n GLY 45 Ca -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 1.10 -4.83 0.99 7.94 -1.12 -3.66 117.00 117.43 2gju n LEU 46 Ca 0.00 0.16 -0.33 0.00 -1.11 0.00 0.00 56.01 54.73 2gju n LEU 46 Cb 0.00 -0.41 -0.07 0.00 0.53 0.00 0.00 43.42 43.48 2gju n LEU 46 CO 0.00 -0.58 0.55 -0.36 -1.11 0.00 0.00 177.39 175.89 2gju s PHE 47 N -2.03 3.38 -0.84 1.96 0.08 -0.51 -4.86 117.98 115.16 2gju s PHE 47 Ca -0.07 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.43 2gju s PHE 47 Cb 0.01 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 2gju s PHE 47 CO 0.11 0.02 0.14 -0.35 -0.10 0.00 0.00 175.22 175.03 2gju n PRO 48 N -0.37 0.23 -2.22 0.24 -0.04 -1.26 -4.28 135.00 127.30 2gju n PRO 48 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2gju n PRO 48 Cb 0.53 -1.16 0.02 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 0.46 2.86 -0.15 0.54 4.01 -0.80 -4.89 117.16 119.20 2gju n TYR 49 Ca 0.00 -2.51 -0.04 0.00 -0.16 0.00 0.00 57.90 55.19 2gju n TYR 49 Cb 0.07 -0.25 0.05 0.00 -0.31 0.00 0.00 39.34 38.90 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 2.34 0.30 -0.31 -0.72 0.13 -1.74 -0.96 132.00 131.03 2gju h PRO 50 Ca 0.32 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.42 2gju h PRO 50 Cb 1.32 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2gju h PRO 50 CO 0.76 0.20 0.17 0.00 -0.23 0.00 0.00 178.00 178.89 2gju h ARG 51 N 0.30 0.43 -0.72 0.86 3.08 -1.90 -2.39 114.38 114.05 2gju h ARG 51 Ca 0.23 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2gju h ARG 51 Cb 0.25 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2gju h ARG 51 CO -0.25 0.37 0.21 0.93 -1.07 0.00 0.00 179.97 180.16 2gju h GLU 52 N 0.38 1.12 -0.11 0.04 3.07 -1.88 -1.07 114.58 116.13 2gju h GLU 52 Ca 0.11 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2gju h GLU 52 Cb 0.06 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2gju h GLU 52 CO -0.02 0.96 0.06 0.28 -1.40 0.00 0.00 179.01 178.89 2gju h VAL 53 N 1.07 1.09 -0.79 3.13 2.07 -1.06 -1.14 116.25 120.62 2gju h VAL 53 Ca 0.23 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2gju h VAL 53 Cb 0.31 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2gju h VAL 53 CO -0.01 0.08 0.34 0.40 0.02 0.00 0.00 177.57 178.40 2gju h ILE 54 N 0.09 1.26 -0.41 4.57 2.04 -1.27 -1.69 117.51 122.10 2gju h ILE 54 Ca 0.04 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2gju h ILE 54 Cb 0.08 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2gju h ILE 54 CO -0.01 0.32 0.22 -0.33 0.00 0.00 0.00 178.15 178.36 2gju h GLU 55 N 1.15 0.57 -0.67 2.37 4.39 -1.00 -0.70 114.58 120.69 2gju h GLU 55 Ca 0.27 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.92 2gju h GLU 55 Cb 0.18 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2gju h GLU 55 CO -0.03 0.47 0.42 0.00 -1.16 0.00 0.00 179.01 178.71 2gju h ALA 56 N 1.07 0.86 -0.17 3.43 0.00 -0.87 0.30 119.26 123.89 2gju h ALA 56 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2gju h ALA 56 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gju h ALA 56 CO -0.02 0.20 -0.00 0.82 0.00 0.00 0.00 179.25 180.24 2gju h ILE 57 N 0.83 1.26 -0.59 0.00 2.04 -1.07 -1.41 117.51 118.58 2gju h ILE 57 Ca 0.26 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2gju h ILE 57 Cb -0.01 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2gju h ILE 57 CO -0.09 0.26 0.34 0.11 0.00 0.00 0.00 178.15 178.76 2gju h LYS 58 N 0.05 0.63 -0.41 2.37 1.57 -0.85 0.14 116.57 120.07 2gju h LYS 58 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2gju h LYS 58 Cb 0.39 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2gju h LYS 58 CO 0.01 0.42 0.22 -0.91 -0.57 0.00 0.00 179.45 178.62 2gju h ASN 59 N 0.65 0.52 -0.61 0.86 2.35 -0.89 -2.68 115.58 115.77 2gju h ASN 59 Ca 0.25 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2gju h ASN 59 Cb 0.09 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2gju h ASN 59 CO -0.13 0.47 0.38 0.25 -1.65 0.00 0.00 177.43 176.75 2gju h LEU 60 N 0.53 0.72 -1.51 1.61 5.85 -0.62 -2.40 115.31 119.49 2gju h LEU 60 Ca 0.14 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2gju h LEU 60 Cb 0.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2gju h LEU 60 CO -0.02 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 2gju h ALA 61 N 1.20 1.00 0.03 1.25 0.00 -0.42 -1.27 119.26 121.05 2gju h ALA 61 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2gju h ALA 61 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gju h ALA 61 CO -0.04 0.00 -0.98 0.87 0.00 0.00 0.00 179.25 179.09 2gju h LYS 62 N 0.00 0.29 -0.01 0.00 1.57 -1.14 -3.35 116.57 113.94 2gju h LYS 62 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2gju h LYS 62 Cb 0.12 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2gju h LYS 62 CO 0.00 1.07 -0.14 0.25 -0.57 0.00 0.00 179.45 180.06 2gju n THR 63 N -3.66 0.00 -4.19 -0.16 -2.24 -1.07 -5.03 114.28 97.93 2gju n THR 63 Ca -0.06 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 2gju n THR 63 Cb 0.87 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 70.11 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 -1.10 1.01 -0.61 3.42 0.01 -0.50 -5.10 113.70 110.82 2gju s SER 64 Ca 0.07 -1.11 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 2gju s SER 64 Cb 0.07 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.48 2gju s SER 64 CO 0.19 -0.56 1.06 0.21 0.41 0.00 0.00 173.24 174.55 2gju s ASN 65 N -3.10 6.30 -0.15 2.44 3.84 -1.26 -4.39 114.94 118.63 2gju s ASN 65 Ca 0.19 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.89 2gju s ASN 65 Cb 0.06 -2.48 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 2gju s ASN 65 CO -0.00 -1.43 -0.19 -0.69 -2.79 0.00 0.00 177.10 172.00 2gju s VAL 66 N 4.50 1.89 -0.18 -5.21 1.01 -1.26 -0.37 120.40 120.78 2gju s VAL 66 Ca 0.32 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2gju s VAL 66 Cb -0.11 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2gju s VAL 66 CO 0.18 0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 175.17 2gju s LYS 67 N 1.09 3.37 0.02 2.72 1.02 -0.43 -4.98 119.74 122.54 2gju s LYS 67 Ca -0.02 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.40 2gju s LYS 67 Cb -0.14 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2gju s LYS 67 CO -0.06 -0.01 -0.26 0.08 -0.92 0.00 0.00 175.35 174.17 2gju s VAL 68 N 0.96 2.09 0.03 3.17 1.01 -1.26 -0.65 120.40 125.75 2gju s VAL 68 Ca -0.01 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 60.74 2gju s VAL 68 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2gju s VAL 68 CO -0.00 0.45 -0.15 0.27 0.00 0.00 0.00 175.10 175.66 2gju s ILE 69 N -0.73 1.16 0.57 2.22 -4.36 -0.52 -3.90 121.20 115.65 2gju s ILE 69 Ca 0.11 -0.92 -0.17 0.00 -0.26 0.00 0.00 60.65 59.41 2gju s ILE 69 Cb -0.10 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 2gju s ILE 69 CO 0.01 0.10 1.07 0.00 0.24 0.00 0.00 174.94 176.35 2gju s ARG 70 N -0.95 3.38 0.41 0.37 1.70 -0.61 -1.58 118.95 121.68 2gju s ARG 70 Ca 0.03 1.30 0.03 0.00 -0.47 0.00 0.00 55.73 56.62 2gju s ARG 70 Cb -0.07 -2.04 0.03 0.00 -0.57 0.00 0.00 34.95 32.30 2gju s ARG 70 CO 0.01 -0.77 0.23 0.41 -1.08 0.00 0.00 175.30 174.10 2gju n GLY 71 N -0.65 3.06 0.30 3.88 0.00 -1.26 -4.43 105.19 106.09 2gju n GLY 71 Ca 0.09 -2.29 -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 -0.29 -0.73 1.61 1.63 -1.89 -0.62 116.57 116.28 2gju h LYS 72 Ca -0.28 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.56 2gju h LYS 72 Cb 0.97 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 2gju h LYS 72 CO 0.45 -0.19 0.48 1.88 -3.45 0.00 0.00 179.45 178.62 2gju h TYR 73 N -0.30 0.90 -0.87 1.91 0.05 -1.95 -1.12 116.97 115.60 2gju h TYR 73 Ca 0.13 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2gju h TYR 73 Cb 0.50 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 2gju h TYR 73 CO -0.42 0.54 0.51 -0.44 -1.05 0.00 0.00 178.16 177.31 2gju h ASP 74 N 0.95 1.04 -0.57 3.88 3.32 -1.63 -2.53 116.42 120.88 2gju h ASP 74 Ca 0.28 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 2gju h ASP 74 Cb -0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2gju h ASP 74 CO -0.08 0.81 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.56 2gju h GLN 75 N 1.20 1.06 0.00 3.56 5.75 -0.36 -0.22 115.11 126.09 2gju h GLN 75 Ca 0.31 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2gju h GLN 75 Cb -0.04 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 2gju h GLN 75 CO -0.06 1.07 -0.03 -0.07 -2.65 0.00 0.00 178.83 177.10 2gju h LEU 76 N 0.95 0.00 0.00 -2.39 3.38 -0.80 -0.61 115.31 115.84 2gju h LEU 76 Ca 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2gju h LEU 76 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2gju h LEU 76 CO 0.04 0.03 -1.34 -0.38 0.09 0.00 0.00 178.44 176.88 2gju n ILE 77 N -3.59 1.54 -0.19 1.22 5.41 -1.05 -4.33 119.36 118.38 2gju n ILE 77 Ca -0.03 -0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.74 2gju n ILE 77 Cb 0.13 -2.02 0.37 0.00 -0.71 0.00 0.00 39.64 37.40 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 -0.50 1.76 0.00 -1.39 0.00 -0.81 -2.30 119.26 116.02 2gju h ALA 78 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gju h ALA 78 Cb 1.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gju h ALA 78 CO -0.21 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2gju n MET 79 N -4.49 0.18 -1.62 0.00 0.00 -0.26 -4.82 117.12 106.11 2gju n MET 79 Ca 0.12 0.48 -0.34 0.00 0.00 0.00 0.00 57.70 57.97 2gju n MET 79 Cb 0.29 -1.90 0.07 0.00 0.00 0.00 0.00 33.22 31.68 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 -4.20 4.70 0.16 3.17 1.04 -0.87 -4.93 113.70 112.77 2gju s SER 80 Ca 0.02 2.16 -0.34 0.00 0.48 0.00 0.00 55.95 58.28 2gju s SER 80 Cb 0.08 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.50 2gju s SER 80 CO 0.34 -1.91 1.60 -0.67 0.98 0.00 0.00 173.24 173.57 2gju n ASP 81 N -2.53 3.16 0.01 7.02 -0.08 -1.26 -4.84 116.55 118.03 2gju n ASP 81 Ca 0.12 1.08 0.22 0.00 -1.51 0.00 0.00 54.79 54.70 2gju n ASP 81 Cb 0.51 -1.43 0.73 0.00 2.34 0.00 0.00 41.12 43.26 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 6.08 0.00 -0.57 -0.67 0.11 -1.92 -1.56 132.00 133.47 2gju h PRO 82 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2gju h PRO 82 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2gju h PRO 82 CO 0.89 0.00 0.07 0.72 -0.21 0.00 0.00 178.00 179.48 2gju n HIS 83 N -3.98 1.99 -2.01 0.65 8.25 -1.26 -5.04 115.22 113.82 2gju n HIS 83 Ca 0.10 -0.91 -0.39 0.00 -0.26 0.00 0.00 57.72 56.27 2gju n HIS 83 Cb 0.70 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.86 3.09 -0.34 -1.41 0.00 -0.59 -4.89 121.76 114.76 2gju s ALA 84 Ca 0.53 1.21 0.22 0.00 0.00 0.00 0.00 51.96 53.92 2gju s ALA 84 Cb 0.41 -3.49 0.18 0.00 0.00 0.00 0.00 23.12 20.22 2gju s ALA 84 CO 0.14 -0.95 1.36 0.78 0.00 0.00 0.00 175.76 177.09 2gju h GLY 85 N 2.23 0.00 -2.34 0.00 0.00 -1.96 -3.48 103.07 97.52 2gju h GLY 85 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2gju h GLY 85 CO 0.61 0.00 0.07 0.51 0.00 0.00 0.00 176.54 177.73 2gju s ASP 86 N -5.86 -0.23 -0.22 0.19 1.47 -1.26 -5.05 116.67 105.71 2gju s ASP 86 Ca 0.04 -0.61 0.07 0.00 1.18 0.00 0.00 52.55 53.23 2gju s ASP 86 Cb 0.07 0.63 0.52 0.00 -0.34 0.00 0.00 42.92 43.80 2gju s ASP 86 CO 0.72 -1.17 1.46 -0.81 0.68 0.00 0.00 175.17 176.05 2gju n PRO 87 N -0.39 2.97 0.29 2.11 -0.04 -1.26 -4.56 135.00 134.11 2gju n PRO 87 Ca -0.06 -2.11 0.19 0.00 -0.04 0.00 0.00 63.50 61.48 2gju n PRO 87 Cb 0.61 -1.94 1.04 0.00 -0.04 0.00 0.00 33.50 33.17 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 1.94 0.00 0.00 0.54 1.57 -1.98 -1.49 116.57 117.14 2gju h LYS 88 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2gju h LYS 88 Cb 1.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 2gju h LYS 88 CO 0.50 0.00 -0.07 0.10 -0.57 0.00 0.00 179.45 179.41 2gju h TYR 89 N 0.00 0.00 0.00 -1.35 -0.00 -2.03 -2.17 116.97 111.42 2gju h TYR 89 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2gju h TYR 89 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.75 2gju h TYR 89 CO 0.00 0.07 -0.10 0.82 -0.00 0.00 0.00 178.16 178.95 2gju h ILE 90 N 0.00 0.94 0.00 -0.90 2.04 -1.65 -2.26 117.51 115.68 2gju h ILE 90 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2gju h ILE 90 Cb 0.17 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2gju h ILE 90 CO 0.01 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.73 2gju n ASP 91 N -4.23 0.60 0.07 1.72 8.00 -0.81 -2.05 116.55 119.85 2gju n ASP 91 Ca -0.03 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.25 2gju n ASP 91 Cb 0.18 -0.78 0.11 0.00 -0.02 0.00 0.00 41.12 40.60 2gju n ASP 91 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2gju h LYS 92 N 0.00 0.00 -7.07 -1.24 1.79 -1.57 -3.48 116.57 105.00 2gju h LYS 92 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2gju h LYS 92 Cb 0.32 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.03 2gju h LYS 92 CO 0.00 0.00 0.42 -0.51 -1.08 0.00 0.00 179.45 178.28 2gju s LEU 93 N -4.55 3.82 -1.50 2.94 1.43 -0.87 -4.94 118.68 115.02 2gju s LEU 93 Ca 0.04 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2gju s LEU 93 Cb 0.12 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.82 2gju s LEU 93 CO 0.75 -1.03 2.54 1.21 0.23 0.00 0.00 176.35 180.05 2gju n GLU 94 N -1.08 3.54 -4.22 1.70 4.07 -1.26 -4.91 120.64 118.48 2gju n GLU 94 Ca 0.10 -2.63 -0.14 0.00 -0.06 0.00 0.00 57.16 54.43 2gju n GLU 94 Cb 0.51 -2.95 -0.10 0.00 -0.06 0.00 0.00 31.44 28.84 2gju n GLU 94 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2gju s ILE 95 N 1.88 1.05 0.62 6.31 -4.36 -1.26 -5.13 121.20 120.31 2gju s ILE 95 Ca 0.57 -1.95 -0.18 0.00 -0.26 0.00 0.00 60.65 58.83 2gju s ILE 95 Cb 0.16 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 2gju s ILE 95 CO -0.07 -0.72 1.09 -2.65 0.24 0.00 0.00 174.94 172.83 2gju n PRO 96 N -0.01 0.99 -0.23 0.37 -0.02 -1.26 -4.78 135.00 130.06 2gju n PRO 96 Ca -0.12 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2gju n PRO 96 Cb 0.60 -2.31 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.51 0.01 -0.57 2.55 5.19 -2.00 -1.69 116.42 120.42 2gju h ASP 97 Ca -0.49 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 2gju h ASP 97 Cb 1.35 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 41.01 2gju h ASP 97 CO 0.52 -0.01 0.30 1.12 -3.12 0.00 0.00 179.24 178.04 2gju h HIS 98 N 0.27 0.83 -0.22 4.55 2.07 -2.00 -2.02 115.15 118.63 2gju h HIS 98 Ca 0.37 -0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.75 2gju h HIS 98 Cb 0.59 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2gju h HIS 98 CO -0.26 0.60 -0.38 1.25 -3.07 0.00 0.00 177.93 176.07 2gju h LEU 99 N 0.84 0.51 -0.69 6.12 5.85 -1.68 -1.20 115.31 125.07 2gju h LEU 99 Ca 0.21 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2gju h LEU 99 Cb 0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2gju h LEU 99 CO -0.03 0.85 0.41 0.11 -0.34 0.00 0.00 178.44 179.44 2gju h LYS 100 N 0.41 0.93 0.05 1.25 1.57 -0.77 -0.45 116.57 119.57 2gju h LYS 100 Ca 0.04 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2gju h LYS 100 Cb 0.85 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2gju h LYS 100 CO 0.07 0.67 -0.02 0.00 -0.57 0.00 0.00 179.45 179.60 2gju h ALA 101 N 1.21 -0.06 -0.04 3.86 0.00 -0.88 -2.05 119.26 121.30 2gju h ALA 101 Ca 0.25 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2gju h ALA 101 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gju h ALA 101 CO -0.05 -0.42 -0.37 1.79 0.00 0.00 0.00 179.25 180.21 2gju h THR 102 N -0.29 1.28 -0.20 0.00 1.35 -1.11 -1.90 112.91 112.04 2gju h THR 102 Ca -0.01 -1.32 -0.20 0.00 -0.55 0.00 0.00 66.41 64.33 2gju h THR 102 Cb 0.26 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2gju h THR 102 CO 0.01 0.38 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.91 2gju h LEU 103 N 0.08 0.91 -0.89 3.87 3.38 -1.05 -1.21 115.31 120.40 2gju h LEU 103 Ca 0.01 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 2gju h LEU 103 Cb 0.68 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2gju h LEU 103 CO 0.05 1.34 0.26 0.11 0.09 0.00 0.00 178.44 180.29 2gju h LYS 104 N 0.56 1.08 -0.34 1.13 1.57 -1.15 0.13 116.57 119.56 2gju h LYS 104 Ca -0.02 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2gju h LYS 104 Cb 1.30 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2gju h LYS 104 CO 0.14 0.89 0.12 -0.92 -0.57 0.00 0.00 179.45 179.11 2gju h TYR 105 N 1.05 0.53 -0.40 -1.35 3.20 -1.27 -1.94 116.97 116.79 2gju h TYR 105 Ca 0.24 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2gju h TYR 105 Cb 0.24 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2gju h TYR 105 CO 0.02 0.51 0.17 1.15 -1.64 0.00 0.00 178.16 178.37 2gju h THR 106 N 0.39 1.19 -0.35 1.81 2.02 -0.69 0.12 112.91 117.39 2gju h THR 106 Ca 0.11 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.79 2gju h THR 106 Cb 0.22 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 2gju h THR 106 CO -0.01 0.21 0.04 -0.25 0.37 0.00 0.00 175.52 175.88 2gju h TRP 107 N 0.50 0.05 0.29 3.16 7.01 -0.64 0.42 115.95 126.73 2gju h TRP 107 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2gju h TRP 107 Cb 0.16 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2gju h TRP 107 CO -0.01 -0.02 -0.14 1.49 -2.79 0.00 0.00 178.44 176.98 2gju h GLU 108 N 0.15 -0.37 -0.28 2.65 4.57 -1.08 -3.15 114.58 117.07 2gju h GLU 108 Ca 0.17 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2gju h GLU 108 Cb 0.21 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2gju h GLU 108 CO -0.25 -0.08 0.13 0.87 -1.18 0.00 0.00 179.01 178.50 2gju h LYS 109 N -0.66 0.38 -0.37 1.92 6.56 -0.62 -2.32 116.57 121.46 2gju h LYS 109 Ca -0.04 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.46 2gju h LYS 109 Cb 0.46 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 2gju h LYS 109 CO 0.06 0.30 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.67 2gju h LEU 110 N 0.38 0.55 -0.13 2.94 3.38 -0.92 -3.45 115.31 118.06 2gju h LEU 110 Ca 0.10 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.11 2gju h LEU 110 Cb 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2gju h LEU 110 CO -0.01 0.63 -0.26 0.61 0.09 0.00 0.00 178.44 179.50 2gju n GLY 111 N -0.80 -1.74 0.24 0.83 0.00 -0.88 -1.75 105.19 101.08 2gju n GLY 111 Ca 0.02 -1.37 -0.06 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 -0.53 0.72 -0.75 1.61 2.76 -1.90 -1.64 115.15 115.41 2gju h HIS 112 Ca -0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2gju h HIS 112 Cb 0.53 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 2gju h HIS 112 CO -0.93 0.44 0.45 1.49 -1.30 0.00 0.00 177.93 178.08 2gju h GLU 113 N 0.77 1.02 -0.12 5.26 4.81 -2.00 0.11 114.58 124.44 2gju h GLU 113 Ca 0.22 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 2gju h GLU 113 Cb -0.07 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.11 2gju h GLU 113 CO -0.06 0.72 -0.80 0.78 -0.73 0.00 0.00 179.01 178.92 2gju h GLY 114 N 1.06 0.76 1.49 1.92 0.00 -0.99 -2.34 103.07 104.98 2gju h GLY 114 Ca 0.27 -1.10 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 2gju h GLY 114 CO -0.05 0.98 -0.26 3.21 0.00 0.00 0.00 176.54 180.42 2gju h ARG 115 N 0.46 0.59 -0.34 4.80 3.08 -0.98 -2.53 114.38 119.46 2gju h ARG 115 Ca -0.06 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 2gju h ARG 115 Cb 1.42 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 2gju h ARG 115 CO 0.16 0.80 -0.17 0.93 -1.07 0.00 0.00 179.97 180.61 2gju h GLU 116 N 0.51 0.63 -0.62 0.04 4.39 -0.93 -2.02 114.58 116.58 2gju h GLU 116 Ca 0.07 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2gju h GLU 116 Cb 0.72 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2gju h GLU 116 CO 0.06 0.77 0.39 -0.92 -1.16 0.00 0.00 179.01 178.14 2gju h TYR 117 N 0.56 0.81 -0.40 4.33 5.03 -1.01 -1.60 116.97 124.69 2gju h TYR 117 Ca 0.09 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.33 2gju h TYR 117 Cb 0.61 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 2gju h TYR 117 CO 0.03 0.54 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.29 2gju h LEU 118 N 0.84 0.63 -1.69 2.82 3.38 -1.23 -2.61 115.31 117.45 2gju h LEU 118 Ca 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2gju h LEU 118 Cb -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2gju h LEU 118 CO -0.04 0.73 -0.16 0.03 0.09 0.00 0.00 178.44 179.08 2gju h ARG 119 N 0.61 0.00 0.00 1.13 3.08 -0.58 -2.10 114.38 116.52 2gju h ARG 119 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2gju h ARG 119 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2gju h ARG 119 CO 0.02 0.16 -0.26 -0.25 -1.07 0.00 0.00 179.97 178.57 2gju n ASP 120 N -3.63 0.37 -4.72 7.04 8.00 -0.70 -4.90 116.55 118.02 2gju n ASP 120 Ca -0.01 0.19 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 2gju n ASP 120 Cb 0.29 -0.18 -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 -3.35 4.37 0.87 0.64 1.43 -0.79 -5.00 118.68 116.86 2gju s LEU 121 Ca 0.11 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2gju s LEU 121 Cb 0.17 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.92 2gju s LEU 121 CO 0.62 -0.68 1.10 -2.84 0.23 0.00 0.00 176.35 174.79 2gju s PRO 122 N 1.04 1.42 -0.20 1.29 0.02 -1.25 -4.62 135.00 132.70 2gju s PRO 122 Ca 0.65 1.16 0.06 0.00 0.02 0.00 0.00 61.00 62.89 2gju s PRO 122 Cb -0.38 -1.80 -0.21 0.00 0.02 0.00 0.00 34.50 32.13 2gju s PRO 122 CO 0.31 -2.23 0.02 -0.89 -0.33 0.00 0.00 177.00 173.88 2gju n ILE 123 N -3.92 1.52 -4.74 2.83 5.41 -1.26 -1.58 119.36 117.62 2gju n ILE 123 Ca 0.09 -0.68 -0.33 0.00 1.00 0.00 0.00 62.75 62.83 2gju n ILE 123 Cb 0.53 -1.18 -0.12 0.00 -0.71 0.00 0.00 39.64 38.16 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 -2.52 2.83 -0.28 1.39 2.02 -1.26 -4.56 117.35 114.96 2gju s TYR 124 Ca -0.24 -0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 2gju s TYR 124 Cb 0.08 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2gju s TYR 124 CO 0.71 0.22 0.14 -1.17 -1.57 0.00 0.00 175.55 173.88 2gju s LEU 125 N -0.66 3.87 -0.23 -1.29 2.96 0.21 -4.95 118.68 118.60 2gju s LEU 125 Ca 0.10 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2gju s LEU 125 Cb -0.11 -2.03 0.07 0.00 0.50 0.00 0.00 46.19 44.62 2gju s LEU 125 CO 0.01 -0.09 0.01 -0.69 -1.32 0.00 0.00 176.35 174.28 2gju s VAL 126 N 1.67 0.98 0.00 1.68 1.01 -1.26 -0.02 120.40 124.46 2gju s VAL 126 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2gju s VAL 126 Cb -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2gju s VAL 126 CO 0.07 -0.25 0.00 -0.67 0.00 0.00 0.00 175.10 174.25 2gju n ASP 127 N 4.86 0.00 -4.15 3.32 2.03 -0.95 -5.02 116.55 116.64 2gju n ASP 127 Ca -0.09 -0.89 -0.19 0.00 0.52 0.00 0.00 54.79 54.14 2gju n ASP 127 Cb 0.45 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.66 0.88 -0.66 -0.67 1.02 -1.26 -0.47 119.74 116.91 2gju s LYS 128 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.21 2gju s LYS 128 Cb 0.00 -0.88 0.20 0.00 -0.52 0.00 0.00 37.83 36.63 2gju s LYS 128 CO 0.00 0.21 0.59 -0.89 -0.92 0.00 0.00 175.35 174.34 2gju n ILE 129 N 1.65 1.75 0.00 2.17 5.41 0.68 -4.94 119.36 126.08 2gju n ILE 129 Ca -0.19 -4.93 0.00 0.00 1.00 0.00 0.00 62.75 58.63 2gju n ILE 129 Cb 0.54 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 2gju n ILE 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gju n GLY 130 N 1.55 1.08 0.55 7.39 0.00 -1.26 -3.38 105.19 111.13 2gju n GLY 130 Ca 0.24 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 0.45 1.01 -3.44 1.61 2.85 -1.26 -4.94 118.16 114.44 2gju n LYS 131 Ca 0.00 -1.36 -0.38 0.00 -1.05 0.00 0.00 58.31 55.51 2gju n LYS 131 Cb 0.00 -1.26 -0.09 0.00 -0.65 0.00 0.00 35.03 33.03 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 -1.09 6.28 0.24 -5.58 0.01 -1.22 -5.06 114.94 108.51 2gju s ASN 132 Ca 0.16 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.33 2gju s ASN 132 Cb 0.11 -2.20 -0.09 0.00 0.41 0.00 0.00 41.25 39.49 2gju s ASN 132 CO 0.17 -0.10 0.96 -1.61 -1.51 0.00 0.00 177.10 175.01 2gju s GLU 133 N 1.65 4.82 0.06 -0.60 0.41 -1.26 -0.23 118.70 123.54 2gju s GLU 133 Ca 0.15 1.53 0.02 0.00 -0.41 0.00 0.00 54.97 56.26 2gju s GLU 133 Cb -0.15 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 28.89 2gju s GLU 133 CO 0.08 0.45 -0.07 0.96 -0.49 0.00 0.00 175.26 176.20 2gju s ILE 134 N -1.09 0.55 0.03 -1.63 -5.25 0.38 -0.74 121.20 113.45 2gju s ILE 134 Ca 0.42 -1.44 0.06 0.00 -0.99 0.00 0.00 60.65 58.69 2gju s ILE 134 Cb -0.27 -1.06 -0.02 0.00 2.95 0.00 0.00 42.46 44.06 2gju s ILE 134 CO 0.33 -0.62 -0.17 0.12 -1.79 0.00 0.00 174.94 172.82 2gju s PHE 135 N -2.41 1.48 -0.01 1.37 2.19 -0.36 -2.23 117.98 118.01 2gju s PHE 135 Ca -0.01 -0.34 -0.03 0.00 0.33 0.00 0.00 56.93 56.89 2gju s PHE 135 Cb -0.03 -0.90 0.00 0.00 -1.31 0.00 0.00 43.02 40.78 2gju s PHE 135 CO -0.02 0.04 0.06 0.20 1.83 0.00 0.00 175.22 177.33 2gju s GLY 136 N -0.94 0.02 0.05 13.12 0.00 0.97 -0.23 107.32 120.31 2gju s GLY 136 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.53 2gju s GLY 136 CO 0.01 -0.08 0.51 0.54 0.00 0.00 0.00 173.10 174.08 2gju s VAL 137 N -0.52 0.03 0.04 1.40 0.11 -0.68 -0.62 120.40 120.16 2gju s VAL 137 Ca -0.06 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 2gju s VAL 137 Cb -0.04 -0.98 -0.18 0.00 -1.53 0.00 0.00 36.38 33.66 2gju s VAL 137 CO 0.00 -0.15 1.40 0.22 -3.33 0.00 0.00 175.10 173.25 2gju h TYR 138 N 2.78 -0.79 0.00 1.54 5.03 -1.80 -3.28 116.97 120.46 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 1.21 0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.75 2gju h TYR 138 CO 0.36 -0.45 0.00 0.41 -1.32 0.00 0.00 178.16 177.17 2gju n GLY 139 N -1.03 0.37 3.38 1.82 0.00 0.14 -1.40 105.19 108.46 2gju n GLY 139 Ca -0.13 0.00 -0.13 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 -1.50 -0.42 0.43 1.61 1.04 -1.00 -4.06 113.70 109.80 2gju s SER 140 Ca 0.00 0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.63 2gju s SER 140 Cb 0.00 0.50 1.04 0.00 0.10 0.00 0.00 66.02 67.66 2gju s SER 140 CO 0.00 -0.78 1.96 -0.65 0.98 0.00 0.00 173.24 174.75 2gju h PRO 141 N 2.60 0.40 -0.06 4.02 0.11 -1.94 -1.60 132.00 135.53 2gju h PRO 141 Ca -0.32 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 2gju h PRO 141 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gju h PRO 141 CO 0.42 0.27 -0.76 0.28 -0.21 0.00 0.00 178.00 177.99 2gju h VAL 142 N 0.41 1.39 -2.18 3.15 2.07 -1.96 -3.41 116.25 115.73 2gju h VAL 142 Ca 0.31 -2.21 -0.37 0.00 0.82 0.00 0.00 66.70 65.25 2gju h VAL 142 Cb 0.65 2.17 -0.34 0.00 -1.52 0.00 0.00 31.29 32.26 2gju h VAL 142 CO -0.09 0.66 -0.68 0.21 0.02 0.00 0.00 177.57 177.69 2gju s ASN 143 N -6.98 1.78 0.29 0.57 3.84 -0.65 -5.00 114.94 108.80 2gju s ASN 143 Ca -0.05 -1.14 0.03 0.00 0.21 0.00 0.00 52.86 51.91 2gju s ASN 143 Cb 0.10 0.39 0.74 0.00 -0.55 0.00 0.00 41.25 41.93 2gju s ASN 143 CO 0.84 -0.35 1.65 -0.65 -2.79 0.00 0.00 177.10 175.80 2gju h PRO 144 N 7.85 0.23 0.00 0.43 0.11 -1.69 0.11 132.00 139.04 2gju h PRO 144 Ca -0.07 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.75 2gju h PRO 144 Cb 1.06 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 2gju h PRO 144 CO 0.30 0.15 -2.03 1.19 -0.21 0.00 0.00 178.00 177.40 2gju n PHE 145 N -5.20 0.00 0.76 0.65 3.72 -1.26 0.24 117.46 116.36 2gju n PHE 145 Ca 0.22 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.70 2gju n PHE 145 Cb 0.70 -0.74 -0.09 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.55 0.78 -4.77 4.37 10.43 -1.22 -4.61 116.55 118.97 2gju n ASP 146 Ca -0.24 -0.89 -0.38 0.00 2.57 0.00 0.00 54.79 55.85 2gju n ASP 146 Cb 0.98 0.99 -0.02 0.00 1.84 0.00 0.00 41.12 44.91 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 -2.50 2.86 -0.14 0.44 0.00 0.34 -4.99 107.32 103.33 2gju s GLY 147 Ca 0.06 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 45.76 2gju s GLY 147 CO 0.65 1.51 -0.00 1.85 0.00 0.00 0.00 173.10 177.11 2gju s GLU 148 N -2.33 0.84 -0.26 2.90 2.12 -1.26 -3.84 118.70 116.87 2gju s GLU 148 Ca 0.58 -0.24 -0.15 0.00 0.36 0.00 0.00 54.97 55.51 2gju s GLU 148 Cb -0.31 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 2gju s GLU 148 CO 0.39 -0.46 0.39 0.42 -0.54 0.00 0.00 175.26 175.47 2gju s ILE 149 N 1.85 5.17 0.31 -3.70 1.01 -1.26 -5.01 121.20 119.57 2gju s ILE 149 Ca 0.02 0.62 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 2gju s ILE 149 Cb -0.15 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 2gju s ILE 149 CO -0.07 0.16 0.81 -0.76 0.00 0.00 0.00 174.94 175.09 2gju s LEU 150 N 1.99 4.18 0.60 2.97 1.43 -1.26 -2.73 118.68 125.85 2gju s LEU 150 Ca 0.16 1.51 -0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2gju s LEU 150 Cb -0.16 -4.01 0.03 0.00 0.03 0.00 0.00 46.19 42.09 2gju s LEU 150 CO 0.09 -0.14 0.87 -2.16 0.23 0.00 0.00 176.35 175.25 2gju s PRO 151 N -2.54 2.54 -1.72 1.29 0.04 -1.26 -4.45 135.00 128.90 2gju s PRO 151 Ca 0.52 -0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.11 2gju s PRO 151 Cb -0.13 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2gju s PRO 151 CO 0.19 -0.85 0.16 -0.25 0.04 0.00 0.00 177.00 176.29 2gju n ASP 152 N -2.56 -5.97 -4.99 6.66 8.00 -1.26 -5.02 116.55 111.41 2gju n ASP 152 Ca 0.07 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 2gju n ASP 152 Cb 0.59 -4.93 0.01 0.00 -0.02 0.00 0.00 41.12 36.78 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 -5.22 2.67 0.64 -1.24 -1.52 -1.26 -5.09 119.66 108.63 2gju s GLN 153 Ca 0.08 -1.39 -0.15 0.00 -1.95 0.00 0.00 55.36 51.95 2gju s GLN 153 Cb -0.04 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 30.10 2gju s GLN 153 CO 0.10 -0.37 1.09 -2.14 -0.25 0.00 0.00 175.29 173.73 2gju s PRO 154 N -4.36 2.97 0.36 2.91 0.02 -1.26 -4.91 135.00 130.74 2gju s PRO 154 Ca 0.54 1.31 0.11 0.00 0.02 0.00 0.00 61.00 62.98 2gju s PRO 154 Cb -0.08 -1.98 0.88 0.00 0.02 0.00 0.00 34.50 33.34 2gju s PRO 154 CO 0.33 -1.10 1.85 1.15 -0.33 0.00 0.00 177.00 178.90 2gju h THR 155 N 0.14 0.77 -0.26 0.99 2.02 -1.98 0.11 112.91 114.69 2gju h THR 155 Ca -0.47 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.55 2gju h THR 155 Cb 1.24 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2gju h THR 155 CO 0.55 0.11 0.18 0.77 0.37 0.00 0.00 175.52 177.51 2gju h SER 156 N 0.62 0.10 -0.00 4.18 4.64 -1.97 0.11 113.55 121.24 2gju h SER 156 Ca 0.47 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2gju h SER 156 Cb 0.87 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2gju h SER 156 CO -0.22 0.07 0.00 0.22 -0.87 0.00 0.00 176.83 176.03 2gju h TYR 157 N 0.12 0.01 0.00 4.77 3.20 -1.13 -2.53 116.97 121.41 2gju h TYR 157 Ca 0.12 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 2gju h TYR 157 Cb 0.32 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2gju h TYR 157 CO -0.00 0.31 -0.55 1.88 -1.64 0.00 0.00 178.16 178.16 2gju h TYR 158 N -0.29 0.00 -0.43 -3.82 0.05 -1.35 -3.00 116.97 108.13 2gju h TYR 158 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 2gju h TYR 158 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2gju h TYR 158 CO 0.03 0.55 -0.08 1.49 -1.05 0.00 0.00 178.16 179.09 2gju h GLU 159 N 0.00 0.75 0.00 4.88 4.81 -0.75 0.20 114.58 124.47 2gju h GLU 159 Ca -0.01 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 2gju h GLU 159 Cb 1.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2gju h GLU 159 CO 0.07 0.82 -0.54 0.00 -0.73 0.00 0.00 179.01 178.63 2gju h ALA 160 N 1.22 1.01 0.02 2.92 0.00 -1.37 -1.89 119.26 121.17 2gju h ALA 160 Ca 0.12 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 2gju h ALA 160 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2gju h ALA 160 CO 0.03 0.67 -1.03 0.82 0.00 0.00 0.00 179.25 179.74 2gju h ILE 161 N 0.00 1.69 0.00 0.00 2.04 -1.33 -3.30 117.51 116.61 2gju h ILE 161 Ca -0.01 -3.38 -0.16 0.00 1.00 0.00 0.00 64.86 62.31 2gju h ILE 161 Cb 1.01 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 2gju h ILE 161 CO 0.07 0.97 -0.77 -0.03 0.00 0.00 0.00 178.15 178.39 2gju h MET 162 N 0.01 0.00 -0.58 2.37 4.05 -0.81 -3.37 114.93 116.60 2gju h MET 162 Ca -0.03 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.51 2gju h MET 162 Cb 1.80 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 32.49 2gju h MET 162 CO 0.14 0.76 -0.11 -0.09 0.23 0.00 0.00 176.91 177.84 2gju h ARG 163 N 0.00 0.02 0.00 0.39 2.43 -1.42 0.08 114.38 115.88 2gju h ARG 163 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2gju h ARG 163 Cb 1.59 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 2gju h ARG 163 CO 0.10 0.02 0.00 -2.30 -1.51 0.00 0.00 179.97 176.27 2gju n PRO 164 N -5.37 0.01 -1.59 0.20 -0.02 -1.26 -1.93 135.00 125.04 2gju n PRO 164 Ca 0.07 0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.89 2gju n PRO 164 Cb 0.31 -1.53 0.09 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.55 1.48 0.31 -1.45 0.24 -0.10 -4.84 118.33 112.42 2gju n VAL 165 Ca 0.02 -2.76 0.06 0.00 -2.04 0.00 0.00 64.34 59.62 2gju n VAL 165 Cb 0.10 0.21 0.27 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.48 0.04 0.27 7.34 2.85 -0.51 -1.79 118.16 125.88 2gju n LYS 166 Ca 0.18 0.38 0.16 0.00 -1.05 0.00 0.00 58.31 57.98 2gju n LYS 166 Cb 0.90 -1.59 0.71 0.00 -0.65 0.00 0.00 35.03 34.40 2gju n LYS 166 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2gju h GLU 167 N 0.00 0.00 -5.81 -1.58 4.81 -1.85 -3.44 114.58 106.71 2gju h GLU 167 Ca 0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 2gju h GLU 167 Cb 0.17 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2gju h GLU 167 CO 0.00 0.07 -0.46 0.71 -0.73 0.00 0.00 179.01 178.60 2gju s TYR 168 N -3.83 3.56 0.18 0.92 1.51 -0.74 -4.90 117.35 114.05 2gju s TYR 168 Ca -0.01 0.44 0.13 0.00 -1.01 0.00 0.00 57.07 56.62 2gju s TYR 168 Cb 0.11 -1.89 0.34 0.00 -0.11 0.00 0.00 41.96 40.41 2gju s TYR 168 CO 0.55 0.65 1.58 0.93 -1.11 0.00 0.00 175.55 178.15 2gju h GLU 169 N 4.00 0.00 -3.25 -0.62 4.39 -1.22 -3.43 114.58 114.45 2gju h GLU 169 Ca -0.50 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.00 2gju h GLU 169 Cb 1.19 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.56 2gju h GLU 169 CO 0.67 0.60 -0.53 1.41 -1.16 0.00 0.00 179.01 180.00 2gju s MET 170 N -3.41 0.18 -0.24 2.33 1.75 -1.22 -1.60 119.30 117.09 2gju s MET 170 Ca -0.00 0.32 -0.05 0.00 -1.25 0.00 0.00 55.69 54.71 2gju s MET 170 Cb 0.11 -0.00 -0.01 0.00 2.84 0.00 0.00 34.83 37.77 2gju s MET 170 CO 0.75 -0.08 0.00 -1.17 -0.65 0.00 0.00 175.02 173.87 2gju s LEU 171 N 0.53 3.15 -0.21 4.11 2.96 0.09 -1.22 118.68 128.08 2gju s LEU 171 Ca -0.04 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2gju s LEU 171 Cb -0.05 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2gju s LEU 171 CO -0.03 -0.04 0.08 -0.76 -1.32 0.00 0.00 176.35 174.28 2gju s LEU 172 N 1.53 3.77 0.07 -0.68 1.43 0.68 -0.69 118.68 124.79 2gju s LEU 172 Ca 0.06 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2gju s LEU 172 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2gju s LEU 172 CO -0.01 0.11 -0.08 0.68 0.23 0.00 0.00 176.35 177.29 2gju s VAL 173 N 0.78 0.66 -0.22 -1.59 -7.23 -0.29 -1.68 120.40 110.84 2gju s VAL 173 Ca 0.04 -1.54 0.13 0.00 -1.81 0.00 0.00 61.98 58.80 2gju s VAL 173 Cb -0.13 -1.20 -0.23 0.00 0.56 0.00 0.00 36.38 35.38 2gju s VAL 173 CO 0.02 -0.63 -0.02 0.00 -0.31 0.00 0.00 175.10 174.17 2gju n ALA 174 N 0.66 1.48 0.02 1.32 0.00 -0.67 -4.23 120.51 119.09 2gju n ALA 174 Ca -0.17 -1.27 0.22 0.00 0.00 0.00 0.00 53.44 52.22 2gju n ALA 174 Cb 0.58 -0.16 0.66 0.00 0.00 0.00 0.00 19.45 20.54 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 0.00 0.64 0.00 4.64 -1.44 -1.75 113.55 115.64 2gju h SER 175 Ca -0.56 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.72 2gju h SER 175 Cb 2.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.23 2gju h SER 175 CO -0.00 0.00 -0.22 -0.65 -0.87 0.00 0.00 176.83 175.09 2gju h PRO 176 N 0.00 0.00 0.00 4.77 0.11 -1.78 -3.42 132.00 131.69 2gju h PRO 176 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2gju h PRO 176 Cb 1.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.67 2gju h PRO 176 CO -0.00 0.22 0.00 0.54 -0.21 0.00 0.00 178.00 178.54 2gju n ARG 177 N -3.56 0.00 -4.39 1.05 5.12 -0.66 -4.59 116.66 109.63 2gju n ARG 177 Ca -0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.66 2gju n ARG 177 Cb 0.36 -2.69 -0.12 0.00 -1.16 0.00 0.00 32.46 28.85 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 -1.14 2.14 0.21 -1.55 2.02 -1.26 -2.83 117.35 114.94 2gju s TYR 178 Ca 0.00 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 55.99 2gju s TYR 178 Cb 0.00 -1.08 -0.13 0.00 -0.40 0.00 0.00 41.96 40.35 2gju s TYR 178 CO 0.00 0.42 1.53 -2.30 -1.57 0.00 0.00 175.55 173.63 2gju n PRO 179 N 0.38 2.23 -3.83 -1.71 -0.02 -1.26 -4.13 135.00 126.66 2gju n PRO 179 Ca -0.14 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2gju n PRO 179 Cb 0.56 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.45 1.60 -0.47 2.45 2.96 -0.56 -4.93 118.68 120.18 2gju s LEU 180 Ca 0.73 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.87 2gju s LEU 180 Cb -0.63 0.28 0.18 0.00 0.50 0.00 0.00 46.19 46.52 2gju s LEU 180 CO 0.43 -0.04 0.57 -0.62 -1.32 0.00 0.00 176.35 175.37 2gju s ASP 181 N 0.15 -0.33 -0.36 3.68 3.68 -1.24 -1.40 116.67 120.85 2gju s ASP 181 Ca -0.01 -2.20 -0.12 0.00 2.13 0.00 0.00 52.55 52.36 2gju s ASP 181 Cb -0.02 1.01 0.01 0.00 -1.45 0.00 0.00 42.92 42.47 2gju s ASP 181 CO -0.00 -0.10 0.21 0.00 0.13 0.00 0.00 175.17 175.41 2gju s ALA 182 N 0.61 3.34 0.23 3.66 0.00 -0.14 -4.93 121.76 124.54 2gju s ALA 182 Ca 0.30 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2gju s ALA 182 Cb 0.01 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 2gju s ALA 182 CO -0.10 -1.21 1.01 1.41 0.00 0.00 0.00 175.76 176.87 2gju s MET 183 N 1.61 4.75 0.18 0.00 1.75 -1.26 -0.91 119.30 125.42 2gju s MET 183 Ca 0.04 1.61 -0.01 0.00 -1.25 0.00 0.00 55.69 56.08 2gju s MET 183 Cb -0.18 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.19 2gju s MET 183 CO 0.08 0.34 0.12 0.95 -0.65 0.00 0.00 175.02 175.86 2gju s THR 184 N -0.96 0.03 -0.42 10.11 -4.23 -0.38 -4.95 115.64 114.83 2gju s THR 184 Ca 0.44 -1.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.20 2gju s THR 184 Cb -0.28 -2.38 0.23 0.00 1.34 0.00 0.00 72.50 71.42 2gju s THR 184 CO 0.35 -0.12 1.68 1.15 -0.54 0.00 0.00 174.62 177.14 2gju n MET 185 N -0.23 0.17 -0.09 3.99 0.00 -1.26 -1.87 117.12 117.84 2gju n MET 185 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 57.70 58.26 2gju n MET 185 Cb 0.65 -1.89 0.12 0.00 0.00 0.00 0.00 33.22 32.11 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 -2.22 0.24 0.00 3.17 4.02 -1.26 -5.08 117.16 116.03 2gju n TYR 186 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2gju n TYR 186 Cb 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.93 1.21 3.84 2.72 0.00 -0.78 -4.50 105.19 108.61 2gju n GLY 187 Ca 0.12 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.13 3.65 -0.27 1.61 0.52 -0.63 -1.25 118.95 121.44 2gju s ARG 188 Ca 0.00 -0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.02 2gju s ARG 188 Cb 0.00 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 2gju s ARG 188 CO 0.00 0.66 0.12 0.08 0.02 0.00 0.00 175.30 176.18 2gju s VAL 189 N -0.71 4.65 -0.01 3.52 1.01 -0.09 -0.73 120.40 128.04 2gju s VAL 189 Ca 0.14 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2gju s VAL 189 Cb -0.12 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 2gju s VAL 189 CO 0.03 0.24 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 2gju s VAL 190 N 1.65 1.30 -0.09 2.92 1.01 0.14 -0.96 120.40 126.37 2gju s VAL 190 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2gju s VAL 190 Cb -0.16 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2gju s VAL 190 CO 0.06 0.33 -0.12 0.00 0.00 0.00 0.00 175.10 175.37 2gju n PRO 192 N 4.14 0.13 0.00 0.00 -0.04 -1.26 -1.49 135.00 136.48 2gju n PRO 192 Ca -0.20 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2gju n PRO 192 Cb 0.51 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.33 -1.09 3.31 0.55 0.00 -1.26 -3.12 105.19 103.90 2gju n GLY 193 Ca 0.03 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 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 3.74 -0.09 1.61 0.15 -1.13 -4.36 113.70 109.61 2gju s SER 194 Ca 0.00 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 2gju s SER 194 Cb 0.00 -1.56 -0.14 0.00 -1.71 0.00 0.00 66.02 62.61 2gju s SER 194 CO 0.00 0.14 0.58 0.40 1.20 0.00 0.00 173.24 175.56 2gju h ILE 195 N 5.54 0.88 0.00 6.45 1.08 -1.03 -0.93 117.51 129.50 2gju h ILE 195 Ca -0.27 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 2gju h ILE 195 Cb 1.21 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 2gju h ILE 195 CO 0.54 0.27 -0.03 0.61 -0.69 0.00 0.00 178.15 178.85 2gju n GLY 196 N 1.25 0.22 3.04 5.37 0.00 -0.00 -4.08 105.19 110.99 2gju n GLY 196 Ca -0.06 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.60 3.35 -0.00 1.61 5.99 -1.10 -4.69 117.98 122.54 2gju s PHE 197 Ca 0.02 -2.89 -0.35 0.00 0.00 0.00 0.00 56.93 53.72 2gju s PHE 197 Cb 0.02 -3.05 -0.13 0.00 0.00 0.00 0.00 43.02 39.86 2gju s PHE 197 CO 0.00 -0.82 1.73 -2.30 -0.00 0.00 0.00 175.22 173.84 2gju n PRO 198 N 3.43 2.05 0.11 10.12 -0.02 -1.26 -4.87 135.00 144.55 2gju n PRO 198 Ca 0.06 0.75 0.08 0.00 -2.02 0.00 0.00 63.50 62.37 2gju n PRO 198 Cb 0.36 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 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 7.64 0.00 0.00 0.52 0.13 -1.89 -2.27 132.00 136.13 2gju h PRO 199 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.92 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 2gju n ALA 200 N -2.22 0.00 -1.90 -0.56 0.00 -1.26 -4.01 120.51 110.56 2gju n ALA 200 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2gju n ALA 200 Cb 0.63 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.17 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 1.05 2.07 -1.60 0.00 1.70 -1.25 -3.17 118.95 117.75 2gju s ARG 201 Ca 0.00 0.13 -0.10 0.00 -0.47 0.00 0.00 55.73 55.29 2gju s ARG 201 Cb 0.00 -1.97 0.09 0.00 -0.57 0.00 0.00 34.95 32.50 2gju s ARG 201 CO 0.00 -1.52 0.52 0.39 -1.08 0.00 0.00 175.30 173.61 2gju n GLU 202 N -3.27 -2.59 -2.30 3.89 1.02 -1.26 -4.87 120.64 111.27 2gju n GLU 202 Ca 0.08 0.31 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 2gju n GLU 202 Cb 0.61 -4.63 -0.03 0.00 -0.02 0.00 0.00 31.44 27.36 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 -3.68 3.33 -0.02 -0.32 2.46 -1.26 -5.04 115.29 110.76 2gju s HIS 203 Ca 0.40 1.41 0.08 0.00 0.47 0.00 0.00 55.06 57.41 2gju s HIS 203 Cb -0.22 -3.50 -0.02 0.00 -0.13 0.00 0.00 32.58 28.71 2gju s HIS 203 CO 0.94 -1.42 -0.26 0.15 -2.47 0.00 0.00 174.74 171.68 2gju s LYS 204 N -0.69 2.15 0.01 2.88 1.02 -1.26 -4.81 119.74 119.03 2gju s LYS 204 Ca 0.52 -0.92 -0.33 0.00 0.02 0.00 0.00 55.97 55.26 2gju s LYS 204 Cb -0.35 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 2gju s LYS 204 CO 0.41 0.55 1.83 0.00 -0.92 0.00 0.00 175.35 177.22 2gju n ALA 205 N 2.47 1.26 -2.43 5.17 0.00 0.70 -4.67 120.51 123.02 2gju n ALA 205 Ca -0.16 0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 2gju n ALA 205 Cb 0.51 -2.51 -0.16 0.00 0.00 0.00 0.00 19.45 17.29 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 3.36 1.73 0.36 0.00 2.01 -0.36 -0.47 115.64 122.28 2gju s THR 206 Ca 0.88 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2gju s THR 206 Cb -0.62 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 70.48 2gju s THR 206 CO 0.46 0.49 0.63 0.72 -0.69 0.00 0.00 174.62 176.23 2gju s PHE 207 N -0.49 0.60 0.11 4.92 -0.71 -0.70 -3.33 117.98 118.39 2gju s PHE 207 Ca 0.08 -1.05 0.05 0.00 -1.04 0.00 0.00 56.93 54.97 2gju s PHE 207 Cb -0.09 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2gju s PHE 207 CO -0.01 -1.35 -0.13 0.00 -1.34 0.00 0.00 175.22 172.39 2gju s ALA 208 N -2.69 1.36 -0.16 1.99 0.00 -0.67 -0.90 121.76 120.69 2gju s ALA 208 Ca 0.23 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2gju s ALA 208 Cb -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.06 2gju s ALA 208 CO 0.16 0.07 -0.17 -0.51 0.00 0.00 0.00 175.76 175.31 2gju s LEU 209 N -2.40 1.88 -0.22 0.00 1.43 -0.01 -0.58 118.68 118.79 2gju s LEU 209 Ca 0.07 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2gju s LEU 209 Cb -0.05 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2gju s LEU 209 CO 0.02 -0.02 0.06 -0.69 0.23 0.00 0.00 176.35 175.95 2gju s VAL 210 N 1.33 4.41 -0.11 -1.59 1.01 -0.15 -0.03 120.40 125.27 2gju s VAL 210 Ca 0.03 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2gju s VAL 210 Cb -0.13 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2gju s VAL 210 CO -0.10 0.39 1.86 -0.62 0.00 0.00 0.00 175.10 176.62 2gju s ASP 211 N 1.13 6.25 0.47 3.32 -1.08 0.94 -1.00 116.67 126.71 2gju s ASP 211 Ca 0.04 2.10 0.32 0.00 -0.52 0.00 0.00 52.55 54.49 2gju s ASP 211 Cb -0.14 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.40 2gju s ASP 211 CO 0.03 -1.29 1.97 0.00 0.52 0.00 0.00 175.17 176.40 2gju h ALA 212 N 11.40 1.00 0.00 3.66 0.00 -1.68 0.43 119.26 134.07 2gju h ALA 212 Ca -0.41 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 2gju h ALA 212 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2gju h ALA 212 CO 0.97 0.00 -2.03 0.39 0.00 0.00 0.00 179.25 178.57 2gju n GLU 213 N -2.68 1.15 0.00 0.00 -0.58 -1.26 -4.07 120.64 113.19 2gju n GLU 213 Ca -0.01 0.04 0.06 0.00 -0.42 0.00 0.00 57.16 56.83 2gju n GLU 213 Cb 0.13 -1.38 -0.04 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.75 0.00 -0.97 2.62 -2.24 -1.19 -4.98 114.28 104.77 2gju n THR 214 Ca -0.28 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2gju n THR 214 Cb 0.93 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.72 -4.75 3.22 4.77 0.15 -4.96 117.00 115.26 2gju n LEU 215 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 2gju n LEU 215 Cb 0.22 -1.88 -0.02 0.00 -2.33 0.00 0.00 43.42 39.41 2gju n LEU 215 CO 0.22 -0.70 1.09 -0.75 -1.33 0.00 0.00 177.39 175.92 2gju s LYS 216 N -1.39 4.27 -0.16 3.23 2.47 -1.26 -4.62 119.74 122.27 2gju s LYS 216 Ca 0.00 2.31 -0.05 0.00 -1.56 0.00 0.00 55.97 56.67 2gju s LYS 216 Cb 0.00 -3.09 -0.03 0.00 -1.46 0.00 0.00 37.83 33.25 2gju s LYS 216 CO 0.00 -0.39 0.01 0.08 0.16 0.00 0.00 175.35 175.21 2gju s VAL 217 N -0.30 4.28 -0.10 4.02 1.01 -1.26 -0.04 120.40 128.01 2gju s VAL 217 Ca 0.57 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2gju s VAL 217 Cb -0.42 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2gju s VAL 217 CO 0.47 0.49 -0.17 -0.75 0.00 0.00 0.00 175.10 175.13 2gju s LYS 218 N 0.30 3.03 -0.12 2.72 2.20 0.96 -4.96 119.74 123.87 2gju s LYS 218 Ca -0.00 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.76 2gju s LYS 218 Cb -0.13 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 2gju s LYS 218 CO 0.02 0.31 0.18 -0.06 -0.36 0.00 0.00 175.35 175.43 2gju s PHE 219 N 0.07 3.58 -0.03 4.03 0.40 -1.26 -0.83 117.98 123.93 2gju s PHE 219 Ca -0.07 0.55 0.05 0.00 -0.60 0.00 0.00 56.93 56.86 2gju s PHE 219 Cb -0.15 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 2gju s PHE 219 CO 0.05 0.63 -0.19 0.42 0.70 0.00 0.00 175.22 176.83 2gju s ILE 220 N -0.74 1.56 -0.08 0.64 -1.09 -0.08 -5.00 121.20 116.41 2gju s ILE 220 Ca 0.15 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2gju s ILE 220 Cb -0.12 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 2gju s ILE 220 CO 0.04 0.44 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.38 2gju s GLU 221 N -0.21 2.53 -0.02 2.79 2.02 -1.26 -1.72 118.70 122.83 2gju s GLU 221 Ca 0.01 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.27 2gju s GLU 221 Cb -0.10 -2.00 -0.00 0.00 0.10 0.00 0.00 34.13 32.13 2gju s GLU 221 CO 0.01 0.19 -0.09 0.08 0.02 0.00 0.00 175.26 175.47 2gju s VAL 222 N 0.28 0.77 0.48 2.63 1.01 0.38 -4.95 120.40 121.00 2gju s VAL 222 Ca -0.14 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2gju s VAL 222 Cb -0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2gju s VAL 222 CO 0.06 0.23 0.98 -1.61 0.00 0.00 0.00 175.10 174.77 2gju s GLU 223 N 0.02 4.01 0.05 2.72 2.02 -1.26 -0.22 118.70 126.03 2gju s GLU 223 Ca -0.00 1.10 -0.08 0.00 0.02 0.00 0.00 54.97 56.01 2gju s GLU 223 Cb -0.06 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 2gju s GLU 223 CO 0.00 -0.23 0.16 1.52 0.02 0.00 0.00 175.26 176.73 2gju s TYR 224 N -2.33 0.12 -0.39 1.61 -0.85 -1.26 -4.88 117.35 109.37 2gju s TYR 224 Ca 0.62 -0.41 -0.29 0.00 -0.52 0.00 0.00 57.07 56.47 2gju s TYR 224 Cb -0.11 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.18 2gju s TYR 224 CO 0.22 -0.43 1.14 0.34 -1.52 0.00 0.00 175.55 175.30 2gju s ASP 225 N -2.23 6.75 0.23 -0.18 2.15 -1.26 -4.90 116.67 117.23 2gju s ASP 225 Ca -0.03 0.80 0.14 0.00 0.43 0.00 0.00 52.55 53.89 2gju s ASP 225 Cb 0.00 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2gju s ASP 225 CO -0.05 -1.09 1.34 0.11 -0.17 0.00 0.00 175.17 175.32 2gju h LYS 226 N 8.81 0.00 -0.75 4.34 1.57 -1.99 -3.34 116.57 125.21 2gju h LYS 226 Ca -0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2gju h LYS 226 Cb 1.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2gju h LYS 226 CO 1.08 0.55 0.45 -0.22 -0.57 0.00 0.00 179.45 180.74 2gju h LYS 227 N 0.00 1.02 -0.14 3.15 1.63 -1.99 0.45 116.57 120.69 2gju h LYS 227 Ca -0.03 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2gju h LYS 227 Cb 1.47 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2gju h LYS 227 CO 0.07 0.73 -0.27 -0.84 -3.45 0.00 0.00 179.45 175.69 2gju h ILE 228 N 1.03 1.25 -0.42 2.00 3.07 -2.00 0.76 117.51 123.20 2gju h ILE 228 Ca 0.27 -1.18 -0.12 0.00 1.55 0.00 0.00 64.86 65.38 2gju h ILE 228 Cb -0.03 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 37.95 2gju h ILE 228 CO -0.05 0.36 -0.20 0.40 -1.05 0.00 0.00 178.15 177.61 2gju h ILE 229 N 0.24 1.28 0.04 0.16 2.04 -1.51 -0.63 117.51 119.13 2gju h ILE 229 Ca 0.04 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.56 2gju h ILE 229 Cb 0.61 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2gju h ILE 229 CO 0.04 0.45 -0.09 -0.08 0.00 0.00 0.00 178.15 178.48 2gju h GLU 230 N 0.70 -0.17 -0.75 2.37 4.81 -0.19 0.14 114.58 121.48 2gju h GLU 230 Ca 0.09 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2gju h GLU 230 Cb 0.76 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2gju h GLU 230 CO 0.06 -0.11 0.49 -0.44 -0.73 0.00 0.00 179.01 178.28 2gju h ASP 231 N -0.17 0.68 0.23 1.04 3.45 -0.71 -1.58 116.42 119.36 2gju h ASP 231 Ca 0.02 0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.31 2gju h ASP 231 Cb 0.19 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 2gju h ASP 231 CO -0.06 0.44 -0.70 -0.09 -1.57 0.00 0.00 179.24 177.26 2gju h ARG 232 N 0.77 0.42 -0.42 3.56 9.65 -0.48 -1.45 114.38 126.43 2gju h ARG 232 Ca 0.33 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2gju h ARG 232 Cb 0.29 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2gju h ARG 232 CO -0.11 0.96 0.21 0.82 2.80 0.00 0.00 179.97 184.65 2gju h ILE 233 N 0.29 1.17 -0.22 1.20 2.04 -0.07 -1.74 117.51 120.17 2gju h ILE 233 Ca -0.03 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2gju h ILE 233 Cb 1.27 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2gju h ILE 233 CO 0.12 0.18 0.03 0.11 0.00 0.00 0.00 178.15 178.59 2gju h LYS 234 N 0.54 0.38 -0.81 2.37 1.57 -1.28 -1.73 116.57 117.60 2gju h LYS 234 Ca 0.15 -0.11 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2gju h LYS 234 Cb 0.09 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 2gju h LYS 234 CO -0.02 0.53 0.53 1.25 -0.57 0.00 0.00 179.45 181.17 2gju h LEU 235 N 0.17 0.60 -0.84 2.94 5.85 -1.11 0.18 115.31 123.11 2gju h LEU 235 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2gju h LEU 235 Cb 0.34 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2gju h LEU 235 CO 0.01 0.33 0.00 -0.62 -0.34 0.00 0.00 178.44 177.82 2gju n GLU 236 N -4.52 1.55 -3.11 1.25 -0.58 -0.67 -4.93 120.64 109.63 2gju n GLU 236 Ca 0.15 -0.83 -0.23 0.00 -0.42 0.00 0.00 57.16 55.83 2gju n GLU 236 Cb 0.41 -1.38 0.03 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.04 -4.59 -2.24 3.49 5.02 0.63 -4.98 118.16 115.53 2gju n LYS 237 Ca 0.16 0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 56.96 2gju n LYS 237 Cb 0.27 -5.63 0.01 0.00 -0.02 0.00 0.00 35.03 29.65 2gju n LYS 237 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gju s LEU 238 N -6.65 3.42 0.42 -0.35 1.43 -0.70 -5.01 118.68 111.24 2gju s LEU 238 Ca 0.33 1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 54.37 2gju s LEU 238 Cb -0.16 -4.18 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 2gju s LEU 238 CO 0.41 -0.74 0.93 -2.65 0.23 0.00 0.00 176.35 174.53 2gju n PRO 239 N -2.52 1.19 0.19 1.29 -0.02 -1.26 -4.77 135.00 129.10 2gju n PRO 239 Ca 0.03 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 2gju n PRO 239 Cb 0.55 -1.94 0.62 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.39 0.07 -0.62 -0.52 4.57 -1.97 -1.58 114.58 115.91 2gju h GLU 240 Ca -0.44 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.88 2gju h GLU 240 Cb 1.35 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 2gju h GLU 240 CO 0.56 0.05 0.43 1.49 -1.18 0.00 0.00 179.01 180.35 2gju h GLU 241 N 0.07 0.22 -0.04 1.92 4.57 -2.00 0.15 114.58 119.47 2gju h GLU 241 Ca 0.06 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2gju h GLU 241 Cb 0.15 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2gju h GLU 241 CO -0.01 0.14 -0.34 0.28 -1.18 0.00 0.00 179.01 177.90 2gju h VAL 242 N 0.22 1.26 -0.08 0.32 2.07 -1.64 -1.16 116.25 117.24 2gju h VAL 242 Ca 0.30 -1.24 -0.21 0.00 0.82 0.00 0.00 66.70 66.36 2gju h VAL 242 Cb 0.86 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2gju h VAL 242 CO -0.06 0.36 -0.81 0.40 0.02 0.00 0.00 177.57 177.48 2gju h ILE 243 N 0.07 1.34 -0.50 4.57 2.04 -0.84 -2.03 117.51 122.15 2gju h ILE 243 Ca 0.01 -2.14 -0.09 0.00 1.00 0.00 0.00 64.86 63.63 2gju h ILE 243 Cb 0.64 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2gju h ILE 243 CO 0.05 0.66 -0.06 0.11 0.00 0.00 0.00 178.15 178.90 2gju h LYS 244 N 0.37 0.90 -0.54 2.37 1.79 -0.94 -2.41 116.57 118.10 2gju h LYS 244 Ca -0.05 -0.29 -0.05 0.00 -2.18 0.00 0.00 60.65 58.08 2gju h LYS 244 Cb 1.42 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.97 2gju h LYS 244 CO 0.15 0.93 0.14 0.82 -1.08 0.00 0.00 179.45 180.41 2gju h ILE 245 N 0.81 1.24 -0.72 1.86 2.04 -1.18 0.64 117.51 122.20 2gju h ILE 245 Ca 0.14 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.28 2gju h ILE 245 Cb 0.57 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 2gju h ILE 245 CO 0.03 0.31 0.30 0.25 0.00 0.00 0.00 178.15 179.05 2gju h LEU 246 N 0.75 0.31 0.00 1.44 5.85 -0.91 0.33 115.31 123.09 2gju h LEU 246 Ca 0.17 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 2gju h LEU 246 Cb 0.32 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2gju h LEU 246 CO -0.00 0.15 -1.92 -1.22 -0.34 0.00 0.00 178.44 175.10 2gju n TYR 247 N -4.97 0.24 -0.02 1.25 4.01 -0.95 -4.59 117.16 112.13 2gju n TYR 247 Ca 0.13 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2gju n TYR 247 Cb 0.36 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.52 0.00 0.00 -0.72 8.25 0.22 -4.10 115.22 116.35 2gju n HIS 248 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2gju n HIS 248 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 0.27 -1.57 3.82 -1.41 0.00 0.12 -3.85 105.19 102.57 2gju n GLY 249 Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.91 -0.14 0.05 -0.02 0.00 -0.86 -4.34 107.32 98.11 2gju s GLY 250 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2gju s GLY 250 CO 0.00 -0.06 0.17 -1.59 0.00 0.00 0.00 173.10 171.62 2gju s LYS 251 N -3.83 3.31 0.00 2.90 -2.85 -1.26 -4.56 119.74 113.46 2gju s LYS 251 Ca 0.11 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 2gju s LYS 251 Cb -0.05 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 2gju s LYS 251 CO 0.05 0.61 0.48 0.00 0.10 0.00 0.00 175.35 176.60