#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 4.41 0.13 2.03 1.01 -1.26 -2.13 120.40 124.59 2gju s VAL 2 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2gju s VAL 2 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2gju s VAL 2 CO 0.00 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.28 2gju s TYR 3 N -0.55 1.11 -0.18 5.22 2.02 0.17 -1.23 117.35 123.92 2gju s TYR 3 Ca 0.10 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 55.94 2gju s TYR 3 Cb -0.12 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2gju s TYR 3 CO 0.02 -0.02 -0.08 0.08 -1.57 0.00 0.00 175.55 173.98 2gju s VAL 4 N -3.46 3.29 -0.04 0.71 1.01 0.05 -0.97 120.40 121.00 2gju s VAL 4 Ca 0.15 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2gju s VAL 4 Cb 0.04 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2gju s VAL 4 CO -0.01 0.48 0.73 0.00 0.00 0.00 0.00 175.10 176.29 2gju s ALA 5 N 0.89 3.33 -0.18 5.51 0.00 -0.44 -0.92 121.76 129.95 2gju s ALA 5 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2gju s ALA 5 Cb -0.15 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.01 2gju s ALA 5 CO 0.01 -0.07 -0.18 0.08 0.00 0.00 0.00 175.76 175.60 2gju s VAL 6 N 0.62 1.96 0.18 0.00 1.01 0.19 -0.60 120.40 123.77 2gju s VAL 6 Ca 0.39 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.52 2gju s VAL 6 Cb -0.19 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2gju s VAL 6 CO 0.20 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.76 2gju s LEU 7 N 1.31 2.48 -0.00 3.92 1.02 0.31 -1.79 118.68 125.94 2gju s LEU 7 Ca 0.03 -0.82 -0.22 0.00 0.02 0.00 0.00 54.13 53.15 2gju s LEU 7 Cb -0.14 -1.24 0.05 0.00 0.02 0.00 0.00 46.19 44.88 2gju s LEU 7 CO -0.12 0.13 0.49 0.00 0.02 0.00 0.00 176.35 176.87 2gju s ALA 8 N -1.59 -1.24 -1.09 4.21 0.00 -1.26 0.23 121.76 121.01 2gju s ALA 8 Ca 0.20 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 2gju s ALA 8 Cb -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2gju s ALA 8 CO 0.10 -0.38 0.87 0.09 0.00 0.00 0.00 175.76 176.45 2gju n ASN 9 N 0.86 -6.05 -0.06 0.00 3.02 -0.76 -0.47 115.26 111.79 2gju n ASN 9 Ca -0.20 -0.82 -0.13 0.00 -0.03 0.00 0.00 54.58 53.41 2gju n ASN 9 Cb 0.58 -4.55 -0.00 0.00 -0.61 0.00 0.00 39.78 35.19 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 -1.39 1.29 -3.54 2.41 2.04 -1.36 0.21 117.51 117.16 2gju h ILE 10 Ca -0.63 -1.70 -0.28 0.00 1.00 0.00 0.00 64.86 63.26 2gju h ILE 10 Cb 1.33 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2gju h ILE 10 CO 0.46 0.55 -0.35 0.00 0.00 0.00 0.00 178.15 178.81 2gju n ALA 11 N -2.55 -0.72 -0.68 1.87 0.00 0.26 -1.45 120.51 117.24 2gju n ALA 11 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gju n ALA 11 Cb 0.60 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.80 0.74 3.45 0.00 0.00 -0.18 -1.39 105.19 107.00 2gju n GLY 12 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.43 6.72 0.10 1.61 3.84 -0.53 -1.90 114.94 122.35 2gju s ASN 13 Ca 0.00 -2.25 -0.20 0.00 0.21 0.00 0.00 52.86 50.62 2gju s ASN 13 Cb 0.00 -2.39 -0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2gju s ASN 13 CO 0.00 -0.98 1.68 0.15 -2.79 0.00 0.00 177.10 175.16 2gju h PHE 14 N 8.48 0.30 -0.94 0.43 3.57 -1.87 -2.35 116.94 124.56 2gju h PHE 14 Ca 0.19 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 2gju h PHE 14 Cb 1.00 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 2gju h PHE 14 CO 1.15 0.30 0.60 -1.35 -2.23 0.00 0.00 178.31 176.78 2gju h PRO 15 N 0.21 0.94 -0.22 6.41 0.11 -1.94 0.21 132.00 137.74 2gju h PRO 15 Ca 0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 2gju h PRO 15 Cb 0.11 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 2gju h PRO 15 CO -0.01 0.62 -0.07 0.00 -0.21 0.00 0.00 178.00 178.33 2gju h ALA 16 N 1.53 0.30 -0.41 -0.75 0.00 -1.86 -1.94 119.26 116.13 2gju h ALA 16 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2gju h ALA 16 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2gju h ALA 16 CO -0.19 0.10 0.26 1.25 0.00 0.00 0.00 179.25 180.68 2gju h LEU 17 N 0.15 0.48 -0.61 0.00 5.85 -0.80 -1.59 115.31 118.78 2gju h LEU 17 Ca 0.05 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2gju h LEU 17 Cb 0.54 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2gju h LEU 17 CO 0.02 0.36 0.37 0.74 -0.34 0.00 0.00 178.44 179.60 2gju h THR 18 N 0.55 1.08 -0.74 1.05 2.02 -0.55 -0.36 112.91 115.96 2gju h THR 18 Ca 0.15 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2gju h THR 18 Cb -0.05 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 2gju h THR 18 CO -0.03 0.13 0.41 0.00 0.37 0.00 0.00 175.52 176.40 2gju h ALA 19 N 1.26 0.95 -0.15 6.16 0.00 -1.04 -0.36 119.26 126.08 2gju h ALA 19 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2gju h ALA 19 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2gju h ALA 19 CO -0.10 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.64 2gju h ALA 20 N 1.21 0.20 -0.83 0.00 0.00 -0.77 -1.95 119.26 117.11 2gju h ALA 20 Ca 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2gju h ALA 20 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2gju h ALA 20 CO -0.04 -0.16 0.40 -0.07 0.00 0.00 0.00 179.25 179.38 2gju h LEU 21 N 0.04 1.09 -1.17 0.00 3.38 -0.87 -1.24 115.31 116.55 2gju h LEU 21 Ca 0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2gju h LEU 21 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2gju h LEU 21 CO 0.00 0.92 -0.22 -0.33 0.09 0.00 0.00 178.44 178.90 2gju h GLU 22 N 1.19 0.31 -0.37 1.13 5.08 -1.00 -1.24 114.58 119.67 2gju h GLU 22 Ca 0.29 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 2gju h GLU 22 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2gju h GLU 22 CO -0.04 0.52 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.95 2gju h LYS 23 N 0.28 0.83 -0.67 2.33 1.63 -0.74 -1.80 116.57 118.43 2gju h LYS 23 Ca 0.05 -0.40 -0.02 0.00 -0.85 0.00 0.00 60.65 59.43 2gju h LYS 23 Cb 0.55 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2gju h LYS 23 CO 0.04 1.03 0.33 0.82 -3.45 0.00 0.00 179.45 178.22 2gju h ILE 24 N 0.69 1.22 -0.41 2.00 2.04 -0.56 -0.24 117.51 122.24 2gju h ILE 24 Ca 0.07 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2gju h ILE 24 Cb 0.88 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2gju h ILE 24 CO 0.08 0.25 0.08 -0.33 0.00 0.00 0.00 178.15 178.23 2gju h GLU 25 N 0.92 0.62 -0.30 2.37 4.39 -1.00 -1.43 114.58 120.16 2gju h GLU 25 Ca 0.23 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 2gju h GLU 25 Cb 0.10 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2gju h GLU 25 CO -0.03 0.59 -0.30 1.49 -1.16 0.00 0.00 179.01 179.60 2gju h GLU 26 N 0.61 0.73 -0.16 2.33 4.81 -0.69 -2.56 114.58 119.65 2gju h GLU 26 Ca 0.14 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2gju h GLU 26 Cb 0.26 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2gju h GLU 26 CO 0.00 1.00 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.16 2gju h LEU 27 N 0.48 0.22 -0.58 1.64 3.38 -0.64 -1.29 115.31 118.52 2gju h LEU 27 Ca 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2gju h LEU 27 Cb 0.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2gju h LEU 27 CO 0.07 0.31 0.07 0.11 0.09 0.00 0.00 178.44 179.10 2gju h LYS 28 N 0.23 0.98 0.00 1.13 1.57 -1.12 -0.20 116.57 119.16 2gju h LYS 28 Ca 0.05 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2gju h LYS 28 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2gju h LYS 28 CO 0.01 0.94 0.00 0.93 -0.57 0.00 0.00 179.45 180.76 2gju h GLU 29 N 0.87 0.00 -0.66 3.15 5.08 -0.85 -1.04 114.58 121.13 2gju h GLU 29 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2gju h GLU 29 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2gju h GLU 29 CO 0.02 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.42 2gju n GLU 30 N -2.68 3.17 -0.08 2.33 1.02 -0.44 -4.93 120.64 119.04 2gju n GLU 30 Ca -0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 2gju n GLU 30 Cb 0.18 -1.73 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 1.28 0.58 3.65 0.62 0.00 -0.40 -5.05 105.19 105.87 2gju n GLY 31 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.14 3.29 -0.33 1.61 1.51 -0.22 -4.16 117.35 116.92 2gju s TYR 32 Ca 0.00 1.27 -0.20 0.00 -1.01 0.00 0.00 57.07 57.13 2gju s TYR 32 Cb 0.00 -3.26 -0.01 0.00 -0.11 0.00 0.00 41.96 38.58 2gju s TYR 32 CO 0.00 -0.51 0.60 -1.21 -1.11 0.00 0.00 175.55 173.32 2gju s GLU 33 N 3.14 3.79 -0.49 -0.62 2.02 -0.91 -3.99 118.70 121.65 2gju s GLU 33 Ca 0.40 0.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.39 2gju s GLU 33 Cb -0.15 -3.76 0.10 0.00 0.10 0.00 0.00 34.13 30.42 2gju s GLU 33 CO 0.08 -0.62 0.41 0.42 0.02 0.00 0.00 175.26 175.57 2gju s ILE 34 N 2.57 4.97 0.16 -1.63 -1.09 -1.26 0.42 121.20 125.34 2gju s ILE 34 Ca 0.23 -1.34 -0.09 0.00 -2.23 0.00 0.00 60.65 57.22 2gju s ILE 34 Cb -0.15 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2gju s ILE 34 CO 0.13 -0.69 1.52 -0.08 -1.23 0.00 0.00 174.94 174.59 2gju h GLU 35 N 8.72 0.91 -2.61 2.79 4.81 -1.43 -3.48 114.58 124.28 2gju h GLU 35 Ca -0.27 -0.45 0.13 0.00 -0.13 0.00 0.00 59.36 58.64 2gju h GLU 35 Cb 1.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 2gju h GLU 35 CO 0.91 1.10 0.41 -1.59 -0.73 0.00 0.00 179.01 179.11 2gju s LYS 36 N -4.46 1.49 0.02 1.92 -2.85 -1.26 -4.46 119.74 110.15 2gju s LYS 36 Ca -0.11 -0.86 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 2gju s LYS 36 Cb 0.12 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 2gju s LYS 36 CO 0.87 -0.68 -0.20 0.71 0.10 0.00 0.00 175.35 176.14 2gju s TYR 37 N -3.22 1.80 -0.16 1.78 1.51 0.59 -1.33 117.35 118.32 2gju s TYR 37 Ca 0.13 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2gju s TYR 37 Cb -0.03 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 2gju s TYR 37 CO 0.05 0.04 -0.21 0.71 -1.11 0.00 0.00 175.55 175.03 2gju s TYR 38 N -0.67 2.73 -0.31 2.71 2.02 0.23 -1.47 117.35 122.59 2gju s TYR 38 Ca 0.07 -1.52 0.03 0.00 -0.37 0.00 0.00 57.07 55.29 2gju s TYR 38 Cb -0.08 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.69 2gju s TYR 38 CO 0.01 -0.73 -0.01 0.42 -1.57 0.00 0.00 175.55 173.67 2gju s ILE 39 N 1.10 2.19 0.37 2.71 1.01 0.18 -0.53 121.20 128.23 2gju s ILE 39 Ca 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 60.65 58.59 2gju s ILE 39 Cb -0.14 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2gju s ILE 39 CO -0.08 -0.37 0.63 -0.76 0.00 0.00 0.00 174.94 174.35 2gju s LEU 40 N 1.00 3.91 1.03 2.97 1.02 0.13 -1.69 118.68 127.06 2gju s LEU 40 Ca 0.03 0.68 -0.16 0.00 0.02 0.00 0.00 54.13 54.69 2gju s LEU 40 Cb -0.19 -3.56 0.22 0.00 0.02 0.00 0.00 46.19 42.68 2gju s LEU 40 CO -0.07 -0.35 1.23 -0.83 0.02 0.00 0.00 176.35 176.34 2gju s GLY 41 N -3.80 1.69 0.04 -3.19 0.00 -0.86 -2.61 107.32 98.58 2gju s GLY 41 Ca 0.43 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 2gju s GLY 41 CO 0.37 -0.25 1.25 -1.31 0.00 0.00 0.00 173.10 173.16 2gju s ASN 42 N -4.46 7.02 -0.06 1.64 0.01 -1.26 -1.82 114.94 116.01 2gju s ASN 42 Ca 0.71 2.03 -0.27 0.00 -0.71 0.00 0.00 52.86 54.62 2gju s ASN 42 Cb -0.07 -2.57 -0.22 0.00 0.41 0.00 0.00 41.25 38.79 2gju s ASN 42 CO 0.54 -0.54 1.09 0.40 -1.51 0.00 0.00 177.10 177.08 2gju h ILE 43 N 4.62 1.51 -4.99 0.60 1.08 -1.87 0.78 117.51 119.24 2gju h ILE 43 Ca -0.40 -1.54 -0.57 0.00 -0.39 0.00 0.00 64.86 61.96 2gju h ILE 43 Cb 1.20 2.55 -0.13 0.00 -3.07 0.00 0.00 36.82 37.37 2gju h ILE 43 CO 0.84 0.40 -0.49 1.33 -0.69 0.00 0.00 178.15 179.54 2gju n VAL 44 N -4.78 0.00 0.00 1.67 0.24 -1.26 -1.01 118.33 113.19 2gju n VAL 44 Ca -0.09 -2.49 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 2gju n VAL 44 Cb 0.33 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.90 3.36 0.47 7.63 0.00 -1.26 -4.33 105.19 110.16 2gju n GLY 45 Ca -0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 1.54 -4.84 0.99 7.94 -1.02 -3.76 117.00 117.86 2gju n LEU 46 Ca 0.00 0.25 -0.33 0.00 -1.11 0.00 0.00 56.01 54.81 2gju n LEU 46 Cb 0.00 -0.57 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 2gju n LEU 46 CO 0.00 -0.33 0.45 -0.36 -1.11 0.00 0.00 177.39 176.04 2gju s PHE 47 N -2.51 3.42 -0.90 1.96 0.08 -0.49 -4.86 117.98 114.68 2gju s PHE 47 Ca -0.18 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.17 2gju s PHE 47 Cb 0.04 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 2gju s PHE 47 CO 0.27 0.12 0.10 -0.35 -0.10 0.00 0.00 175.22 175.26 2gju n PRO 48 N -0.18 0.19 -2.24 0.24 -0.04 -1.26 -4.19 135.00 127.52 2gju n PRO 48 Ca 0.03 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 2gju n PRO 48 Cb 0.53 -1.12 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 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 2.97 0.02 0.54 4.01 -0.80 -4.88 117.16 119.48 2gju n TYR 49 Ca 0.00 -2.61 -0.10 0.00 -0.16 0.00 0.00 57.90 55.03 2gju n TYR 49 Cb 0.05 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 38.80 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 2.37 -0.08 -0.79 -0.72 0.13 -1.74 -1.26 132.00 129.90 2gju h PRO 50 Ca 0.32 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.42 2gju h PRO 50 Cb 1.27 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2gju h PRO 50 CO 0.78 -0.05 0.33 0.00 -0.23 0.00 0.00 178.00 178.83 2gju h ARG 51 N -0.08 1.18 -0.10 0.86 3.08 -1.90 -2.30 114.38 115.11 2gju h ARG 51 Ca 0.05 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 2gju h ARG 51 Cb 0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2gju h ARG 51 CO -0.12 0.94 -0.47 0.93 -1.07 0.00 0.00 179.97 180.19 2gju h GLU 52 N 1.15 0.25 -0.07 0.04 3.07 -1.91 -1.66 114.58 115.46 2gju h GLU 52 Ca 0.27 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2gju h GLU 52 Cb 0.19 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2gju h GLU 52 CO -0.02 0.67 0.00 0.28 -1.40 0.00 0.00 179.01 178.54 2gju h VAL 53 N 0.20 1.24 -0.75 3.13 2.07 -0.93 -1.88 116.25 119.33 2gju h VAL 53 Ca 0.01 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2gju h VAL 53 Cb 0.91 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2gju h VAL 53 CO 0.07 0.21 0.38 0.40 0.02 0.00 0.00 177.57 178.65 2gju h ILE 54 N -0.16 1.24 -0.83 4.57 2.04 -1.34 -2.04 117.51 120.99 2gju h ILE 54 Ca 0.02 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 2gju h ILE 54 Cb 0.33 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2gju h ILE 54 CO 0.00 0.27 0.37 -0.33 0.00 0.00 0.00 178.15 178.47 2gju h GLU 55 N 1.05 1.22 -0.67 2.37 4.39 -1.25 -0.13 114.58 121.55 2gju h GLU 55 Ca 0.26 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2gju h GLU 55 Cb 0.09 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2gju h GLU 55 CO -0.04 0.95 0.17 0.00 -1.16 0.00 0.00 179.01 178.94 2gju h ALA 56 N 1.21 0.89 -0.03 3.43 0.00 -0.97 -1.13 119.26 122.65 2gju h ALA 56 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2gju h ALA 56 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2gju h ALA 56 CO -0.03 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.63 2gju h ILE 57 N 1.00 1.28 -0.59 0.00 2.04 -1.01 -1.84 117.51 118.38 2gju h ILE 57 Ca 0.21 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.31 2gju h ILE 57 Cb 0.35 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 38.16 2gju h ILE 57 CO 0.00 0.23 0.19 0.11 0.00 0.00 0.00 178.15 178.68 2gju h LYS 58 N -0.28 0.34 -0.40 2.37 1.57 -0.90 0.29 116.57 119.56 2gju h LYS 58 Ca 0.01 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2gju h LYS 58 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2gju h LYS 58 CO 0.00 0.22 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.10 2gju h ASN 59 N 0.35 0.68 -0.52 0.86 2.35 -1.18 -2.45 115.58 115.67 2gju h ASN 59 Ca 0.30 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2gju h ASN 59 Cb 0.40 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2gju h ASN 59 CO -0.33 0.81 0.17 0.25 -1.65 0.00 0.00 177.43 176.68 2gju h LEU 60 N 0.64 0.76 -2.67 1.61 5.85 -0.17 -2.34 115.31 118.99 2gju h LEU 60 Ca 0.11 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2gju h LEU 60 Cb 0.54 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2gju h LEU 60 CO 0.03 0.76 -0.00 0.00 -0.34 0.00 0.00 178.44 178.89 2gju h ALA 61 N 1.03 1.32 -0.40 1.25 0.00 -0.07 0.14 119.26 122.54 2gju h ALA 61 Ca 0.17 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2gju h ALA 61 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gju h ALA 61 CO -0.01 0.00 -0.29 0.87 0.00 0.00 0.00 179.25 179.82 2gju h LYS 62 N 0.00 0.90 0.00 0.00 1.57 -0.97 -3.34 116.57 114.73 2gju h LYS 62 Ca -0.00 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2gju h LYS 62 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2gju h LYS 62 CO 0.00 1.09 -1.39 -2.37 -0.57 0.00 0.00 179.45 176.21 2gju n THR 63 N -4.14 0.00 -4.23 -0.16 5.66 -0.86 -5.02 114.28 105.53 2gju n THR 63 Ca -0.02 -0.27 -0.13 0.00 -3.05 0.00 0.00 64.05 60.58 2gju n THR 63 Cb 0.49 0.48 -0.10 0.00 -1.55 0.00 0.00 70.33 69.65 2gju n THR 63 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2gju s SER 64 N -3.46 1.14 -0.54 1.09 0.01 -0.02 -5.10 113.70 106.82 2gju s SER 64 Ca -0.01 -1.16 -0.28 0.00 1.31 0.00 0.00 55.95 55.80 2gju s SER 64 Cb 0.12 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2gju s SER 64 CO 0.73 -0.57 1.24 0.21 0.41 0.00 0.00 173.24 175.26 2gju s ASN 65 N -3.15 6.42 -0.13 2.44 3.84 -1.26 -4.35 114.94 118.74 2gju s ASN 65 Ca 0.23 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.58 2gju s ASN 65 Cb 0.06 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.23 2gju s ASN 65 CO 0.03 -1.47 -0.13 -0.69 -2.79 0.00 0.00 177.10 172.05 2gju s VAL 66 N 5.09 1.44 -0.17 -5.21 1.01 -1.26 -0.30 120.40 121.00 2gju s VAL 66 Ca 0.47 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2gju s VAL 66 Cb -0.08 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2gju s VAL 66 CO 0.27 0.44 -0.08 -0.54 0.00 0.00 0.00 175.10 175.19 2gju s LYS 67 N 1.44 3.46 0.01 2.72 1.02 -0.54 -4.97 119.74 122.88 2gju s LYS 67 Ca 0.03 -0.62 0.08 0.00 0.02 0.00 0.00 55.97 55.48 2gju s LYS 67 Cb -0.13 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2gju s LYS 67 CO -0.09 0.08 -0.24 0.08 -0.92 0.00 0.00 175.35 174.27 2gju s VAL 68 N 0.74 1.90 0.06 3.17 1.01 -1.26 -0.64 120.40 125.37 2gju s VAL 68 Ca -0.03 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.87 2gju s VAL 68 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2gju s VAL 68 CO 0.02 0.43 -0.16 0.27 0.00 0.00 0.00 175.10 175.66 2gju s ILE 69 N -0.66 1.29 0.55 2.22 -4.36 -0.68 -3.99 121.20 115.57 2gju s ILE 69 Ca 0.10 -1.21 -0.16 0.00 -0.26 0.00 0.00 60.65 59.12 2gju s ILE 69 Cb -0.09 -1.18 -0.06 0.00 1.25 0.00 0.00 42.46 42.38 2gju s ILE 69 CO 0.00 -0.05 1.02 0.00 0.24 0.00 0.00 174.94 176.15 2gju s ARG 70 N -1.45 3.68 0.48 0.37 1.70 -0.72 -2.02 118.95 120.98 2gju s ARG 70 Ca 0.02 1.02 0.03 0.00 -0.47 0.00 0.00 55.73 56.33 2gju s ARG 70 Cb -0.09 -2.09 0.03 0.00 -0.57 0.00 0.00 34.95 32.23 2gju s ARG 70 CO 0.02 -0.50 0.24 0.41 -1.08 0.00 0.00 175.30 174.39 2gju n GLY 71 N -1.48 3.08 0.21 3.88 0.00 -1.26 -4.45 105.19 105.17 2gju n GLY 71 Ca 0.07 -2.31 -0.03 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.01 -0.68 1.61 1.63 -1.89 -0.55 116.57 116.67 2gju h LYS 72 Ca -0.33 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.41 2gju h LYS 72 Cb 1.13 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 2gju h LYS 72 CO 0.53 -0.01 0.21 1.88 -3.45 0.00 0.00 179.45 178.61 2gju h TYR 73 N -0.01 1.11 -0.77 1.91 0.05 -1.95 -1.64 116.97 115.66 2gju h TYR 73 Ca 0.24 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 2gju h TYR 73 Cb 0.37 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 2gju h TYR 73 CO -0.43 0.89 0.35 -0.44 -1.05 0.00 0.00 178.16 177.48 2gju h ASP 74 N 1.00 1.03 -0.60 3.88 3.32 -1.59 -2.72 116.42 120.73 2gju h ASP 74 Ca 0.22 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2gju h ASP 74 Cb 0.31 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2gju h ASP 74 CO -0.01 0.89 0.18 -0.61 -1.72 0.00 0.00 179.24 177.97 2gju h GLN 75 N 1.10 0.94 -0.01 3.56 5.75 -0.76 0.31 115.11 126.00 2gju h GLN 75 Ca 0.26 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2gju h GLN 75 Cb 0.15 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 2gju h GLN 75 CO -0.03 0.84 0.03 -0.07 -2.65 0.00 0.00 178.83 176.95 2gju h LEU 76 N 0.86 0.00 0.03 -2.39 3.38 -1.00 0.09 115.31 116.28 2gju h LEU 76 Ca 0.19 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.84 2gju h LEU 76 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2gju h LEU 76 CO -0.00 0.00 -1.79 -0.38 0.09 0.00 0.00 178.44 176.36 2gju n ILE 77 N -3.39 1.58 0.17 1.22 5.41 -0.93 -4.38 119.36 119.05 2gju n ILE 77 Ca -0.03 -0.28 0.06 0.00 1.00 0.00 0.00 62.75 63.51 2gju n ILE 77 Cb 0.10 -1.90 0.54 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.45 1.83 0.00 -1.39 0.00 -0.45 -2.53 119.26 116.27 2gju h ALA 78 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gju h ALA 78 Cb 1.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2gju h ALA 78 CO -0.19 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2gju n MET 79 N -4.47 0.07 -1.65 0.00 0.00 -0.03 -4.83 117.12 106.22 2gju n MET 79 Ca -0.01 0.28 -0.33 0.00 0.00 0.00 0.00 57.70 57.63 2gju n MET 79 Cb 0.12 -1.63 0.06 0.00 0.00 0.00 0.00 33.22 31.77 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 -3.45 4.84 0.11 3.17 1.04 -0.95 -4.93 113.70 113.53 2gju s SER 80 Ca 0.07 2.08 -0.32 0.00 0.48 0.00 0.00 55.95 58.25 2gju s SER 80 Cb 0.10 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.55 2gju s SER 80 CO 0.35 -1.81 1.77 -0.67 0.98 0.00 0.00 173.24 173.85 2gju n ASP 81 N -2.55 3.72 0.09 7.02 -0.08 -1.26 -4.86 116.55 118.62 2gju n ASP 81 Ca 0.11 1.02 0.20 0.00 -1.51 0.00 0.00 54.79 54.61 2gju n ASP 81 Cb 0.52 -1.49 0.74 0.00 2.34 0.00 0.00 41.12 43.23 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 7.81 0.00 -0.27 -0.67 0.13 -1.92 -1.73 132.00 135.35 2gju h PRO 82 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2gju h PRO 82 Cb 1.24 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2gju h PRO 82 CO 0.93 0.00 -0.38 0.72 -0.23 0.00 0.00 178.00 179.05 2gju n HIS 83 N -3.73 0.90 -2.32 1.56 8.25 -1.26 -5.03 115.22 113.59 2gju n HIS 83 Ca 0.07 -1.70 -0.35 0.00 -0.26 0.00 0.00 57.72 55.48 2gju n HIS 83 Cb 0.62 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 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 -3.32 2.81 -0.80 -1.41 0.00 -0.65 -4.93 121.76 113.45 2gju s ALA 84 Ca 0.43 0.81 0.25 0.00 0.00 0.00 0.00 51.96 53.45 2gju s ALA 84 Cb 0.39 -3.34 0.46 0.00 0.00 0.00 0.00 23.12 20.63 2gju s ALA 84 CO -0.03 -0.64 1.39 0.41 0.00 0.00 0.00 175.76 176.90 2gju n GLY 85 N 0.17 -1.36 3.72 0.00 0.00 -1.26 -4.96 105.19 101.51 2gju n GLY 85 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2gju n GLY 85 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gju s ASP 86 N -3.67 -0.12 -0.34 1.61 1.47 -1.26 -5.04 116.67 109.32 2gju s ASP 86 Ca 0.09 -0.83 0.04 0.00 1.18 0.00 0.00 52.55 53.03 2gju s ASP 86 Cb 0.15 0.67 0.56 0.00 -0.34 0.00 0.00 42.92 43.96 2gju s ASP 86 CO 0.70 -1.28 1.71 -0.81 0.68 0.00 0.00 175.17 176.17 2gju n PRO 87 N -0.43 2.34 0.24 2.11 -0.04 -1.26 -4.63 135.00 133.34 2gju n PRO 87 Ca -0.03 -2.45 0.15 0.00 -0.04 0.00 0.00 63.50 61.13 2gju n PRO 87 Cb 0.60 -1.98 0.84 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.18 0.00 -0.29 0.54 1.57 -1.98 -2.42 116.57 115.17 2gju h LYS 88 Ca 0.44 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.29 2gju h LYS 88 Cb 2.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.69 2gju h LYS 88 CO 0.82 0.00 0.21 0.10 -0.57 0.00 0.00 179.45 180.01 2gju h TYR 89 N 0.00 0.04 -0.01 -1.35 -0.00 -2.02 -2.13 116.97 111.50 2gju h TYR 89 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.78 2gju h TYR 89 Cb 0.25 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 36.96 2gju h TYR 89 CO 0.00 0.02 0.01 0.82 -0.00 0.00 0.00 178.16 179.01 2gju h ILE 90 N 0.04 0.91 0.00 -0.90 2.04 -1.83 -2.22 117.51 115.55 2gju h ILE 90 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2gju h ILE 90 Cb 0.50 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2gju h ILE 90 CO -0.01 0.00 -0.11 0.44 0.00 0.00 0.00 178.15 178.48 2gju h ASP 91 N 0.00 0.00 -0.21 1.72 3.32 -1.59 -1.81 116.42 117.85 2gju h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gju h ASP 91 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2gju h ASP 91 CO -0.00 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 177.92 2gju n LYS 92 N -3.66 1.98 -3.14 3.56 5.02 -0.84 -4.89 118.16 116.19 2gju n LYS 92 Ca -0.02 -1.47 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 2gju n LYS 92 Cb 0.22 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.60 4.26 -1.48 -0.35 1.43 -0.68 -4.96 118.68 115.29 2gju s LEU 93 Ca 0.34 1.34 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 2gju s LEU 93 Cb 0.19 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2gju s LEU 93 CO 0.28 -0.03 2.51 -0.62 0.23 0.00 0.00 176.35 178.72 2gju n GLU 94 N 0.41 3.58 -4.31 1.70 1.02 -1.26 -4.88 120.64 116.89 2gju n GLU 94 Ca -0.01 -2.70 -0.19 0.00 -0.02 0.00 0.00 57.16 54.25 2gju n GLU 94 Cb 0.52 -2.94 -0.11 0.00 -0.02 0.00 0.00 31.44 28.89 2gju n GLU 94 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2gju s ILE 95 N 1.72 1.63 0.82 -3.67 -4.36 -1.26 -5.14 121.20 110.94 2gju s ILE 95 Ca 0.56 -2.03 -0.14 0.00 -0.26 0.00 0.00 60.65 58.79 2gju s ILE 95 Cb 0.16 -1.88 0.05 0.00 1.25 0.00 0.00 42.46 42.04 2gju s ILE 95 CO -0.07 -0.51 0.94 -2.65 0.24 0.00 0.00 174.94 172.90 2gju n PRO 96 N -0.02 0.11 -0.10 0.37 -0.02 -1.26 -4.80 135.00 129.28 2gju n PRO 96 Ca -0.11 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 2gju n PRO 96 Cb 0.59 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.93 -0.22 -0.55 2.55 5.19 -2.00 -2.32 116.42 118.14 2gju h ASP 97 Ca -0.46 0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.09 2gju h ASP 97 Cb 1.31 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.96 2gju h ASP 97 CO 0.43 -0.07 0.36 1.12 -3.12 0.00 0.00 179.24 177.96 2gju h HIS 98 N 0.05 0.57 -0.12 4.55 2.07 -2.00 -1.52 115.15 118.75 2gju h HIS 98 Ca 0.17 0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.57 2gju h HIS 98 Cb 0.24 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 2gju h HIS 98 CO -0.28 0.32 -0.49 1.25 -3.07 0.00 0.00 177.93 175.67 2gju h LEU 99 N 0.58 0.35 -0.34 6.12 5.85 -1.78 -1.42 115.31 124.68 2gju h LEU 99 Ca 0.23 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2gju h LEU 99 Cb 0.17 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2gju h LEU 99 CO -0.06 0.79 0.19 0.11 -0.34 0.00 0.00 178.44 179.13 2gju h LYS 100 N 0.26 0.47 0.13 1.25 1.57 -0.97 0.73 116.57 120.01 2gju h LYS 100 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2gju h LYS 100 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2gju h LYS 100 CO 0.08 0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 179.28 2gju h ALA 101 N 1.06 -0.18 -0.25 3.86 0.00 -1.18 -0.54 119.26 122.03 2gju h ALA 101 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2gju h ALA 101 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2gju h ALA 101 CO -0.02 -0.59 -0.31 1.79 0.00 0.00 0.00 179.25 180.12 2gju h THR 102 N -0.19 1.28 -0.29 0.00 1.35 -1.15 -0.59 112.91 113.32 2gju h THR 102 Ca -0.02 -1.39 -0.09 0.00 -0.55 0.00 0.00 66.41 64.36 2gju h THR 102 Cb 0.15 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 2gju h THR 102 CO 0.03 0.44 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.49 2gju h LEU 103 N 0.45 0.65 -0.65 3.87 3.38 -0.74 0.25 115.31 122.53 2gju h LEU 103 Ca 0.06 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2gju h LEU 103 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2gju h LEU 103 CO 0.06 0.94 0.30 0.11 0.09 0.00 0.00 178.44 179.94 2gju h LYS 104 N 0.37 0.94 -0.14 1.13 1.57 -1.00 0.59 116.57 120.04 2gju h LYS 104 Ca 0.06 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2gju h LYS 104 Cb 0.71 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2gju h LYS 104 CO 0.05 0.76 0.06 -0.92 -0.57 0.00 0.00 179.45 178.83 2gju h TYR 105 N 0.90 0.11 -0.58 -1.35 3.20 -0.91 -1.88 116.97 116.46 2gju h TYR 105 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2gju h TYR 105 Cb 0.13 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2gju h TYR 105 CO 0.00 0.06 0.35 1.15 -1.64 0.00 0.00 178.16 178.08 2gju h THR 106 N 0.14 1.18 -0.01 1.81 2.02 0.09 -0.19 112.91 117.94 2gju h THR 106 Ca 0.06 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.87 2gju h THR 106 Cb 0.02 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2gju h THR 106 CO -0.05 0.18 -0.19 -0.25 0.37 0.00 0.00 175.52 175.58 2gju h TRP 107 N 0.78 -0.51 -0.25 3.16 7.01 0.53 -0.58 115.95 126.10 2gju h TRP 107 Ca 0.21 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 61.04 2gju h TRP 107 Cb -0.01 0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2gju h TRP 107 CO -0.02 -0.28 -0.57 1.49 -2.79 0.00 0.00 178.44 176.28 2gju h GLU 108 N -0.31 0.77 -0.09 2.65 4.81 -1.22 -3.12 114.58 118.07 2gju h GLU 108 Ca 0.06 -0.50 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2gju h GLU 108 Cb 0.39 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2gju h GLU 108 CO -0.19 1.13 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.79 2gju h LYS 109 N 0.59 0.15 -0.38 1.92 1.63 -0.89 -2.81 116.57 116.78 2gju h LYS 109 Ca 0.01 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.69 2gju h LYS 109 Cb 1.16 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2gju h LYS 109 CO 0.12 0.36 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.34 2gju h LEU 110 N 0.14 0.62 -0.15 5.20 3.38 -1.04 -3.45 115.31 120.01 2gju h LEU 110 Ca 0.03 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.95 2gju h LEU 110 Cb 0.46 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2gju h LEU 110 CO 0.03 0.74 -0.30 0.61 0.09 0.00 0.00 178.44 179.60 2gju n GLY 111 N -0.62 -2.37 0.29 0.83 0.00 -1.06 -1.68 105.19 100.58 2gju n GLY 111 Ca 0.01 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.42 0.74 -0.51 1.61 2.76 -1.90 -0.95 115.15 116.48 2gju h HIS 112 Ca -0.04 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2gju h HIS 112 Cb 0.41 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2gju h HIS 112 CO 0.01 0.27 0.16 1.49 -1.30 0.00 0.00 177.93 178.55 2gju h GLU 113 N 0.68 0.75 -0.15 5.26 4.81 -1.99 -0.03 114.58 123.91 2gju h GLU 113 Ca 0.39 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2gju h GLU 113 Cb 0.42 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2gju h GLU 113 CO -0.28 0.66 -0.32 0.78 -0.73 0.00 0.00 179.01 179.11 2gju h GLY 114 N 0.91 0.53 1.34 1.92 0.00 -0.33 -2.45 103.07 104.99 2gju h GLY 114 Ca 0.17 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2gju h GLY 114 CO -0.01 0.57 -0.09 3.21 0.00 0.00 0.00 176.54 180.23 2gju h ARG 115 N 0.11 0.79 -0.12 4.80 3.08 -1.03 -2.16 114.38 119.84 2gju h ARG 115 Ca 0.00 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 2gju h ARG 115 Cb 0.92 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2gju h ARG 115 CO 0.07 0.85 -0.19 0.93 -1.07 0.00 0.00 179.97 180.56 2gju h GLU 116 N 0.72 0.20 -0.59 0.04 4.39 -1.01 -1.51 114.58 116.82 2gju h GLU 116 Ca 0.13 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2gju h GLU 116 Cb 0.57 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2gju h GLU 116 CO 0.03 0.40 0.17 -0.92 -1.16 0.00 0.00 179.01 177.53 2gju h TYR 117 N 0.19 0.97 -0.43 4.33 5.03 -0.89 -2.13 116.97 124.05 2gju h TYR 117 Ca 0.04 -0.11 -0.09 0.00 2.58 0.00 0.00 58.73 61.15 2gju h TYR 117 Cb 0.46 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2gju h TYR 117 CO 0.01 0.82 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.48 2gju h LEU 118 N 0.85 0.76 -2.10 2.82 3.38 -1.13 -2.61 115.31 117.26 2gju h LEU 118 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2gju h LEU 118 Cb 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2gju h LEU 118 CO -0.00 0.89 -0.06 0.03 0.09 0.00 0.00 178.44 179.39 2gju h ARG 119 N 0.69 0.00 -0.00 1.13 3.08 -0.82 -1.67 114.38 116.79 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2gju h ARG 119 CO 0.04 0.06 -0.37 -0.25 -1.07 0.00 0.00 179.97 178.38 2gju n ASP 120 N -3.43 0.50 -4.71 7.04 8.00 -0.84 -4.90 116.55 118.21 2gju n ASP 120 Ca -0.02 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 2gju n ASP 120 Cb 0.20 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.89 4.36 0.90 0.64 1.43 -0.63 -5.00 118.68 117.48 2gju s LEU 121 Ca 0.15 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2gju s LEU 121 Cb 0.18 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.96 2gju s LEU 121 CO 0.64 -0.64 1.10 -2.84 0.23 0.00 0.00 176.35 174.83 2gju s PRO 122 N 1.42 1.18 -0.20 1.29 0.02 -1.26 -4.62 135.00 132.84 2gju s PRO 122 Ca 0.63 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2gju s PRO 122 Cb -0.34 -1.78 -0.21 0.00 0.02 0.00 0.00 34.50 32.19 2gju s PRO 122 CO 0.29 -2.36 0.03 -0.89 -0.33 0.00 0.00 177.00 173.74 2gju n ILE 123 N -4.00 1.59 -4.39 2.83 5.41 -1.26 -1.76 119.36 117.78 2gju n ILE 123 Ca 0.08 -0.63 -0.32 0.00 1.00 0.00 0.00 62.75 62.88 2gju n ILE 123 Cb 0.54 -1.45 -0.10 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.53 2.97 -0.23 1.39 2.02 -1.26 -4.59 117.35 115.12 2gju s TYR 124 Ca -0.28 0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.38 2gju s TYR 124 Cb 0.08 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 2gju s TYR 124 CO 0.68 0.41 0.03 -1.17 -1.57 0.00 0.00 175.55 173.93 2gju s LEU 125 N -1.44 3.29 -0.15 -1.29 2.96 -0.30 -4.96 118.68 116.80 2gju s LEU 125 Ca 0.18 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2gju s LEU 125 Cb -0.11 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.77 2gju s LEU 125 CO 0.08 0.01 0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 2gju s VAL 126 N 1.35 0.58 0.38 1.68 1.01 -1.26 -0.54 120.40 123.60 2gju s VAL 126 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2gju s VAL 126 Cb -0.15 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2gju s VAL 126 CO 0.02 -0.00 0.71 -0.62 0.00 0.00 0.00 175.10 175.21 2gju s ASP 127 N 1.86 0.26 0.01 3.32 2.15 -0.94 -5.02 116.67 118.31 2gju s ASP 127 Ca 0.01 -1.26 0.08 0.00 0.43 0.00 0.00 52.55 51.82 2gju s ASP 127 Cb -0.15 0.81 -0.02 0.00 -0.30 0.00 0.00 42.92 43.26 2gju s ASP 127 CO -0.07 -1.61 -0.26 -0.54 -0.17 0.00 0.00 175.17 172.53 2gju s LYS 128 N -2.43 1.94 -0.67 4.34 1.02 -1.26 0.10 119.74 122.77 2gju s LYS 128 Ca 0.19 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2gju s LYS 128 Cb -0.04 -1.96 0.17 0.00 -0.52 0.00 0.00 37.83 35.47 2gju s LYS 128 CO 0.14 0.53 0.47 0.42 -0.92 0.00 0.00 175.35 175.98 2gju s ILE 129 N -0.68 3.14 0.00 2.17 1.01 0.11 -4.93 121.20 122.02 2gju s ILE 129 Ca 0.10 -3.80 0.00 0.00 0.00 0.00 0.00 60.65 56.96 2gju s ILE 129 Cb -0.10 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2gju s ILE 129 CO 0.00 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.61 2gju n GLY 130 N 2.52 0.69 0.77 6.18 0.00 -1.26 -3.23 105.19 110.86 2gju n GLY 130 Ca 0.14 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 5.20 2.04 -3.35 1.61 2.85 -1.26 -4.88 118.16 120.37 2gju n LYS 131 Ca 0.00 -1.54 -0.39 0.00 -1.05 0.00 0.00 58.31 55.33 2gju n LYS 131 Cb 0.00 -1.46 -0.09 0.00 -0.65 0.00 0.00 35.03 32.83 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 -1.75 6.29 0.25 -5.58 0.01 -1.20 -5.06 114.94 107.90 2gju s ASN 132 Ca 0.34 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 2gju s ASN 132 Cb 0.20 -2.23 -0.09 0.00 0.41 0.00 0.00 41.25 39.54 2gju s ASN 132 CO 0.30 -0.22 1.11 -1.61 -1.51 0.00 0.00 177.10 175.17 2gju s GLU 133 N 2.14 4.62 0.09 -0.60 0.41 -1.26 0.08 118.70 124.17 2gju s GLU 133 Ca 0.16 1.79 0.04 0.00 -0.41 0.00 0.00 54.97 56.56 2gju s GLU 133 Cb -0.16 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 2gju s GLU 133 CO 0.10 0.15 -0.11 0.96 -0.49 0.00 0.00 175.26 175.87 2gju s ILE 134 N -0.83 0.98 -0.00 -1.63 -5.25 0.12 -0.77 121.20 113.81 2gju s ILE 134 Ca 0.46 -1.48 0.04 0.00 -0.99 0.00 0.00 60.65 58.68 2gju s ILE 134 Cb -0.31 -1.20 -0.01 0.00 2.95 0.00 0.00 42.46 43.88 2gju s ILE 134 CO 0.39 -0.43 -0.12 0.12 -1.79 0.00 0.00 174.94 173.11 2gju s PHE 135 N -1.95 1.10 0.01 1.37 2.19 -0.77 -2.22 117.98 117.72 2gju s PHE 135 Ca 0.02 -0.23 0.01 0.00 0.33 0.00 0.00 56.93 57.06 2gju s PHE 135 Cb -0.06 -0.70 -0.01 0.00 -1.31 0.00 0.00 43.02 40.94 2gju s PHE 135 CO 0.01 -0.01 -0.03 0.20 1.83 0.00 0.00 175.22 177.22 2gju s GLY 136 N -0.41 0.17 0.01 13.12 0.00 0.30 -0.48 107.32 120.02 2gju s GLY 136 Ca 0.04 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 2gju s GLY 136 CO -0.00 -0.31 0.54 0.54 0.00 0.00 0.00 173.10 173.86 2gju s VAL 137 N -0.58 0.02 0.05 1.40 0.11 -0.52 -1.15 120.40 119.74 2gju s VAL 137 Ca -0.05 -0.20 -0.34 0.00 -2.93 0.00 0.00 61.98 58.46 2gju s VAL 137 Cb -0.04 -0.92 -0.19 0.00 -1.53 0.00 0.00 36.38 33.70 2gju s VAL 137 CO -0.00 -0.11 1.44 0.22 -3.33 0.00 0.00 175.10 173.31 2gju h TYR 138 N 3.03 -1.09 0.00 1.54 5.03 -1.81 -3.29 116.97 120.39 2gju h TYR 138 Ca -0.29 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.99 2gju h TYR 138 Cb 1.18 0.36 0.00 0.00 1.55 0.00 0.00 36.73 39.82 2gju h TYR 138 CO 0.40 -0.67 0.00 0.41 -1.32 0.00 0.00 178.16 176.97 2gju n GLY 139 N -1.33 0.57 3.38 1.82 0.00 0.28 -1.57 105.19 108.34 2gju n GLY 139 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.40 1.61 1.04 -0.95 -4.19 113.70 109.70 2gju s SER 140 Ca 0.00 0.02 0.12 0.00 0.48 0.00 0.00 55.95 56.56 2gju s SER 140 Cb 0.00 0.51 0.94 0.00 0.10 0.00 0.00 66.02 67.57 2gju s SER 140 CO 0.00 -0.81 1.95 -0.65 0.98 0.00 0.00 173.24 174.70 2gju h PRO 141 N 2.48 0.51 -0.07 4.02 0.11 -1.94 -1.65 132.00 135.47 2gju h PRO 141 Ca -0.32 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.58 2gju h PRO 141 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2gju h PRO 141 CO 0.42 0.34 -0.72 0.28 -0.21 0.00 0.00 178.00 178.11 2gju h VAL 142 N 0.53 1.39 -2.11 3.15 2.07 -1.96 -3.40 116.25 115.92 2gju h VAL 142 Ca 0.33 -2.16 -0.37 0.00 0.82 0.00 0.00 66.70 65.31 2gju h VAL 142 Cb 0.56 2.13 -0.33 0.00 -1.52 0.00 0.00 31.29 32.13 2gju h VAL 142 CO -0.11 0.65 -0.68 0.21 0.02 0.00 0.00 177.57 177.66 2gju s ASN 143 N -6.95 1.60 0.28 0.57 3.84 -0.69 -5.00 114.94 108.59 2gju s ASN 143 Ca -0.05 -1.27 0.00 0.00 0.21 0.00 0.00 52.86 51.75 2gju s ASN 143 Cb 0.11 0.43 0.66 0.00 -0.55 0.00 0.00 41.25 41.90 2gju s ASN 143 CO 0.83 -0.32 1.64 -0.65 -2.79 0.00 0.00 177.10 175.81 2gju h PRO 144 N 7.61 0.17 0.00 0.43 0.11 -1.62 0.23 132.00 138.92 2gju h PRO 144 Ca -0.03 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.70 2gju h PRO 144 Cb 1.06 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 2gju h PRO 144 CO 0.27 0.11 -2.37 1.19 -0.21 0.00 0.00 178.00 176.99 2gju n PHE 145 N -5.26 0.00 0.67 0.65 3.72 -1.26 1.00 117.46 116.97 2gju n PHE 145 Ca 0.20 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.70 2gju n PHE 145 Cb 0.64 -0.96 -0.13 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.98 0.67 -4.77 4.37 10.43 -1.23 -4.62 116.55 118.42 2gju n ASP 146 Ca -0.38 -0.65 -0.41 0.00 2.57 0.00 0.00 54.79 55.92 2gju n ASP 146 Cb 1.05 1.30 -0.02 0.00 1.84 0.00 0.00 41.12 45.28 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 -3.50 2.95 -0.09 0.44 0.00 0.75 -4.98 107.32 102.88 2gju s GLY 147 Ca 0.03 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2gju s GLY 147 CO 0.88 1.91 -0.08 1.85 0.00 0.00 0.00 173.10 177.66 2gju s GLU 148 N -1.65 1.50 -0.25 2.90 2.12 -1.26 -3.67 118.70 118.40 2gju s GLU 148 Ca 0.49 -0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.46 2gju s GLU 148 Cb -0.39 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.48 2gju s GLU 148 CO 0.51 -0.18 0.11 0.42 -0.54 0.00 0.00 175.26 175.59 2gju s ILE 149 N 1.39 4.80 0.41 -3.70 1.01 -1.26 -5.01 121.20 118.85 2gju s ILE 149 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2gju s ILE 149 Cb -0.13 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 2gju s ILE 149 CO -0.04 0.33 0.90 -0.76 0.00 0.00 0.00 174.94 175.37 2gju s LEU 150 N 1.41 3.93 0.55 2.97 1.43 -1.26 -2.80 118.68 124.90 2gju s LEU 150 Ca 0.06 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 2gju s LEU 150 Cb -0.15 -4.42 0.04 0.00 0.03 0.00 0.00 46.19 41.70 2gju s LEU 150 CO 0.06 -0.35 0.76 -2.16 0.23 0.00 0.00 176.35 174.89 2gju s PRO 151 N -3.25 2.47 -1.65 1.29 0.04 -1.26 -4.49 135.00 128.16 2gju s PRO 151 Ca 0.60 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.65 2gju s PRO 151 Cb -0.09 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2gju s PRO 151 CO 0.16 -0.73 0.00 -0.25 0.04 0.00 0.00 177.00 176.23 2gju n ASP 152 N -2.29 -5.07 -4.98 6.66 8.00 -1.26 -5.01 116.55 112.60 2gju n ASP 152 Ca 0.09 0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 2gju n ASP 152 Cb 0.60 -4.12 -0.01 0.00 -0.02 0.00 0.00 41.12 37.57 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 -4.17 3.25 0.79 -1.24 -1.52 -1.26 -5.09 119.66 110.41 2gju s GLN 153 Ca 0.00 -0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 52.46 2gju s GLN 153 Cb 0.00 -2.81 0.07 0.00 -0.22 0.00 0.00 33.01 30.05 2gju s GLN 153 CO 0.00 0.16 1.14 -2.14 -0.25 0.00 0.00 175.29 174.20 2gju s PRO 154 N -4.16 1.94 0.40 2.91 0.02 -1.26 -4.90 135.00 129.95 2gju s PRO 154 Ca 0.41 1.46 0.12 0.00 0.02 0.00 0.00 61.00 63.02 2gju s PRO 154 Cb -0.09 -1.84 0.94 0.00 0.02 0.00 0.00 34.50 33.53 2gju s PRO 154 CO 0.31 -1.93 1.90 1.15 -0.33 0.00 0.00 177.00 178.11 2gju h THR 155 N -0.97 0.83 -0.24 0.99 2.02 -1.98 -1.14 112.91 112.42 2gju h THR 155 Ca -0.45 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2gju h THR 155 Cb 1.26 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2gju h THR 155 CO 0.48 0.10 0.16 0.77 0.37 0.00 0.00 175.52 177.40 2gju h SER 156 N 0.54 0.17 -0.25 4.18 4.64 -1.97 0.43 113.55 121.30 2gju h SER 156 Ca 0.39 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 2gju h SER 156 Cb 0.75 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2gju h SER 156 CO -0.15 0.12 0.02 0.22 -0.87 0.00 0.00 176.83 176.17 2gju h TYR 157 N 0.20 0.46 0.00 4.77 3.20 -1.55 -2.61 116.97 121.43 2gju h TYR 157 Ca 0.10 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 2gju h TYR 157 Cb 0.15 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2gju h TYR 157 CO -0.00 0.57 -0.72 1.88 -1.64 0.00 0.00 178.16 178.25 2gju h TYR 158 N 0.21 0.00 -0.38 -3.82 0.05 -1.41 -3.11 116.97 108.51 2gju h TYR 158 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2gju h TYR 158 Cb 0.38 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 2gju h TYR 158 CO 0.03 0.72 0.19 1.49 -1.05 0.00 0.00 178.16 179.54 2gju h GLU 159 N 0.00 0.54 -0.05 4.88 4.81 -0.86 -0.05 114.58 123.85 2gju h GLU 159 Ca -0.01 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2gju h GLU 159 Cb 1.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2gju h GLU 159 CO 0.09 0.47 -0.18 0.00 -0.73 0.00 0.00 179.01 178.67 2gju h ALA 160 N 1.04 1.62 0.02 2.92 0.00 -1.47 -1.72 119.26 121.68 2gju h ALA 160 Ca 0.13 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2gju h ALA 160 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2gju h ALA 160 CO -0.02 0.28 -0.99 0.82 0.00 0.00 0.00 179.25 179.35 2gju h ILE 161 N 0.07 1.63 0.01 0.00 2.04 -1.36 -3.31 117.51 116.59 2gju h ILE 161 Ca 0.01 -3.14 -0.21 0.00 1.00 0.00 0.00 64.86 62.52 2gju h ILE 161 Cb 0.36 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 2gju h ILE 161 CO 0.02 0.90 -1.01 -0.03 0.00 0.00 0.00 178.15 178.04 2gju h MET 162 N 0.03 0.03 -0.78 2.37 4.05 -0.59 -3.37 114.93 116.67 2gju h MET 162 Ca -0.03 -0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.51 2gju h MET 162 Cb 1.70 0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 32.38 2gju h MET 162 CO 0.14 1.01 -0.02 -0.09 0.23 0.00 0.00 176.91 178.18 2gju h ARG 163 N 0.01 0.08 0.00 0.39 2.43 -1.42 0.20 114.38 116.08 2gju h ARG 163 Ca -0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2gju h ARG 163 Cb 1.76 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2gju h ARG 163 CO 0.14 0.05 0.00 -2.30 -1.51 0.00 0.00 179.97 176.35 2gju n PRO 164 N -5.38 0.03 -0.96 0.20 -0.02 -1.26 -2.13 135.00 125.48 2gju n PRO 164 Ca 0.14 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 2gju n PRO 164 Cb 0.49 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.46 1.04 0.21 -1.45 0.24 0.55 -4.85 118.33 112.60 2gju n VAL 165 Ca 0.03 -1.94 0.03 0.00 -2.04 0.00 0.00 64.34 60.42 2gju n VAL 165 Cb 0.13 0.37 0.12 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.33 0.03 0.16 7.34 2.85 -0.22 -1.55 118.16 126.45 2gju n LYS 166 Ca 0.12 0.34 0.13 0.00 -1.05 0.00 0.00 58.31 57.85 2gju n LYS 166 Cb 0.89 -1.50 0.49 0.00 -0.65 0.00 0.00 35.03 34.27 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 -6.01 -1.58 4.81 -1.85 -3.45 114.58 106.50 2gju h GLU 167 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2gju h GLU 167 Cb 0.07 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 2gju h GLU 167 CO 0.00 0.00 -0.52 0.71 -0.73 0.00 0.00 179.01 178.47 2gju s TYR 168 N -3.34 3.43 0.19 0.92 1.51 -0.59 -4.90 117.35 114.56 2gju s TYR 168 Ca 0.05 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.35 2gju s TYR 168 Cb 0.10 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 2gju s TYR 168 CO 0.49 0.56 1.43 0.93 -1.11 0.00 0.00 175.55 177.84 2gju h GLU 169 N 2.88 0.08 -3.18 -0.62 4.39 -1.25 -3.43 114.58 113.45 2gju h GLU 169 Ca -0.46 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 58.97 2gju h GLU 169 Cb 1.17 0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 29.57 2gju h GLU 169 CO 0.72 0.86 -0.49 1.41 -1.16 0.00 0.00 179.01 180.35 2gju s MET 170 N -3.20 0.22 -0.21 2.33 1.75 -1.23 -1.05 119.30 117.91 2gju s MET 170 Ca -0.01 0.35 -0.05 0.00 -1.25 0.00 0.00 55.69 54.73 2gju s MET 170 Cb 0.11 0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.79 2gju s MET 170 CO 0.80 -0.07 0.00 -1.17 -0.65 0.00 0.00 175.02 173.93 2gju s LEU 171 N 0.49 3.21 -0.20 4.11 2.96 0.95 -1.85 118.68 128.36 2gju s LEU 171 Ca -0.03 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2gju s LEU 171 Cb -0.05 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2gju s LEU 171 CO -0.02 0.03 0.04 -0.76 -1.32 0.00 0.00 176.35 174.31 2gju s LEU 172 N 1.21 3.51 0.11 -0.68 1.43 0.36 -0.14 118.68 124.48 2gju s LEU 172 Ca 0.03 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2gju s LEU 172 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2gju s LEU 172 CO 0.01 0.09 -0.08 0.68 0.23 0.00 0.00 176.35 177.28 2gju s VAL 173 N 0.86 0.87 -0.13 -1.59 -7.23 -0.16 -1.44 120.40 111.58 2gju s VAL 173 Ca 0.02 -1.89 0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2gju s VAL 173 Cb -0.14 -1.64 -0.20 0.00 0.56 0.00 0.00 36.38 34.97 2gju s VAL 173 CO 0.02 -0.76 0.10 0.00 -0.31 0.00 0.00 175.10 174.15 2gju n ALA 174 N 0.07 1.79 -0.30 1.32 0.00 -0.64 -4.20 120.51 118.54 2gju n ALA 174 Ca -0.13 -0.90 0.26 0.00 0.00 0.00 0.00 53.44 52.68 2gju n ALA 174 Cb 0.60 -0.15 0.60 0.00 0.00 0.00 0.00 19.45 20.50 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 0.27 0.08 0.00 4.64 -1.49 -0.97 113.55 116.08 2gju h SER 175 Ca -0.34 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2gju h SER 175 Cb 1.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2gju h SER 175 CO 0.02 0.06 -0.06 -0.65 -0.87 0.00 0.00 176.83 175.33 2gju h PRO 176 N 0.25 0.00 -0.24 4.77 0.11 -1.80 -3.43 132.00 131.66 2gju h PRO 176 Ca 0.55 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.60 2gju h PRO 176 Cb 1.69 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.78 2gju h PRO 176 CO -0.18 0.06 -0.06 0.54 -0.21 0.00 0.00 178.00 178.16 2gju n ARG 177 N -4.29 -1.88 -4.05 1.05 1.74 -0.37 -4.67 116.66 104.20 2gju n ARG 177 Ca -0.03 0.52 -0.10 0.00 -0.77 0.00 0.00 57.85 57.47 2gju n ARG 177 Cb 0.15 -4.66 -0.11 0.00 -1.02 0.00 0.00 32.46 26.82 2gju n ARG 177 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2gju s TYR 178 N -1.12 0.50 0.19 -1.55 2.02 -1.26 -3.56 117.35 112.56 2gju s TYR 178 Ca 0.00 -0.67 -0.33 0.00 -0.37 0.00 0.00 57.07 55.71 2gju s TYR 178 Cb 0.00 -0.32 -0.13 0.00 -0.40 0.00 0.00 41.96 41.10 2gju s TYR 178 CO 0.00 -0.19 1.60 -2.30 -1.57 0.00 0.00 175.55 173.09 2gju n PRO 179 N 1.10 2.35 -3.82 -1.71 -0.02 -1.26 -4.05 135.00 127.58 2gju n PRO 179 Ca -0.20 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2gju n PRO 179 Cb 0.57 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 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 0.79 1.53 -0.45 2.45 2.96 -0.50 -4.94 118.68 120.53 2gju s LEU 180 Ca 0.76 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.79 2gju s LEU 180 Cb -0.62 0.08 0.18 0.00 0.50 0.00 0.00 46.19 46.33 2gju s LEU 180 CO 0.38 -0.06 0.51 -0.62 -1.32 0.00 0.00 176.35 175.24 2gju s ASP 181 N 0.44 0.17 -0.25 3.68 3.68 -1.25 -1.59 116.67 121.56 2gju s ASP 181 Ca -0.04 -2.27 -0.08 0.00 2.13 0.00 0.00 52.55 52.30 2gju s ASP 181 Cb -0.05 0.69 -0.03 0.00 -1.45 0.00 0.00 42.92 42.08 2gju s ASP 181 CO -0.01 -0.14 0.08 0.00 0.13 0.00 0.00 175.17 175.23 2gju s ALA 182 N 0.62 3.22 -0.02 3.66 0.00 -0.55 -4.96 121.76 123.74 2gju s ALA 182 Ca 0.29 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2gju s ALA 182 Cb -0.01 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 2gju s ALA 182 CO -0.11 -0.46 0.49 1.41 0.00 0.00 0.00 175.76 177.09 2gju s MET 183 N 1.56 4.15 0.25 0.00 1.75 -1.26 -0.58 119.30 125.17 2gju s MET 183 Ca 0.06 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.05 2gju s MET 183 Cb -0.15 -3.30 -0.05 0.00 2.84 0.00 0.00 34.83 34.17 2gju s MET 183 CO 0.05 0.49 0.10 0.95 -0.65 0.00 0.00 175.02 175.95 2gju s THR 184 N -0.49 0.52 -0.43 10.11 -4.23 -0.55 -4.98 115.64 115.59 2gju s THR 184 Ca 0.26 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.99 2gju s THR 184 Cb -0.17 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.27 2gju s THR 184 CO 0.14 -0.01 1.65 1.15 -0.54 0.00 0.00 174.62 177.01 2gju n MET 185 N -0.45 0.16 -0.11 3.99 0.00 -1.26 -1.71 117.12 117.74 2gju n MET 185 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 57.70 58.28 2gju n MET 185 Cb 0.66 -1.87 0.14 0.00 0.00 0.00 0.00 33.22 32.15 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 -2.18 0.29 0.00 3.17 4.02 -1.26 -5.09 117.16 116.12 2gju n TYR 186 Ca 0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2gju n TYR 186 Cb 0.15 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 1.00 1.37 3.84 2.72 0.00 -0.69 -4.50 105.19 108.93 2gju n GLY 187 Ca 0.13 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.22 3.64 -0.28 1.61 0.52 -0.22 -1.48 118.95 121.51 2gju s ARG 188 Ca 0.00 -0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 54.96 2gju s ARG 188 Cb 0.00 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2gju s ARG 188 CO 0.00 0.66 0.15 0.08 0.02 0.00 0.00 175.30 176.21 2gju s VAL 189 N -0.67 4.90 -0.01 3.52 1.01 0.25 -0.03 120.40 129.37 2gju s VAL 189 Ca 0.13 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2gju s VAL 189 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2gju s VAL 189 CO 0.03 0.23 -0.15 -0.69 0.00 0.00 0.00 175.10 174.51 2gju s VAL 190 N 1.69 1.22 -0.09 2.92 1.01 0.81 -1.49 120.40 126.47 2gju s VAL 190 Ca 0.06 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2gju s VAL 190 Cb -0.16 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2gju s VAL 190 CO 0.08 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.40 2gju n PRO 192 N 4.35 0.01 0.00 0.00 -0.04 -1.26 -1.41 135.00 136.65 2gju n PRO 192 Ca -0.18 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2gju n PRO 192 Cb 0.51 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.47 -1.05 3.33 0.55 0.00 -1.26 -3.05 105.19 104.18 2gju n GLY 193 Ca 0.05 -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 3.86 -0.08 1.61 0.15 -1.23 -4.40 113.70 109.61 2gju s SER 194 Ca 0.00 -0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.04 2gju s SER 194 Cb 0.00 -1.59 -0.18 0.00 -1.71 0.00 0.00 66.02 62.54 2gju s SER 194 CO 0.00 0.14 0.83 0.40 1.20 0.00 0.00 173.24 175.81 2gju h ILE 195 N 5.50 1.16 0.00 6.45 1.08 -0.75 -1.97 117.51 128.98 2gju h ILE 195 Ca -0.27 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.70 2gju h ILE 195 Cb 1.21 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 2gju h ILE 195 CO 0.55 0.34 -0.04 0.61 -0.69 0.00 0.00 178.15 178.92 2gju n GLY 196 N 0.96 -0.56 3.07 5.37 0.00 0.05 -4.12 105.19 109.95 2gju n GLY 196 Ca -0.08 -0.05 -0.35 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 -0.43 3.44 0.04 1.61 5.99 -1.14 -4.73 117.98 122.76 2gju s PHE 197 Ca 0.01 -2.76 -0.34 0.00 0.00 0.00 0.00 56.93 53.85 2gju s PHE 197 Cb 0.01 -3.12 -0.13 0.00 0.00 0.00 0.00 43.02 39.79 2gju s PHE 197 CO 0.00 -0.86 1.72 -2.30 -0.00 0.00 0.00 175.22 173.78 2gju n PRO 198 N 3.72 2.16 0.12 10.12 -0.02 -1.26 -4.86 135.00 144.98 2gju n PRO 198 Ca 0.05 0.79 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 2gju n PRO 198 Cb 0.38 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.29 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 7.46 0.00 0.00 0.52 0.13 -1.87 -1.75 132.00 136.48 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2gju h PRO 199 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 2gju n ALA 200 N -2.16 0.00 -1.55 -0.56 0.00 -1.26 -4.11 120.51 110.87 2gju n ALA 200 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2gju n ALA 200 Cb 0.55 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 0.67 2.07 -1.65 0.00 1.70 -1.25 -2.82 118.95 117.67 2gju s ARG 201 Ca 0.00 0.64 -0.13 0.00 -0.47 0.00 0.00 55.73 55.77 2gju s ARG 201 Cb 0.00 -1.92 0.12 0.00 -0.57 0.00 0.00 34.95 32.58 2gju s ARG 201 CO 0.00 -1.63 0.57 0.39 -1.08 0.00 0.00 175.30 173.55 2gju n GLU 202 N -3.44 -2.49 -2.19 3.89 1.02 -1.26 -4.87 120.64 111.31 2gju n GLU 202 Ca 0.07 0.30 -0.41 0.00 -0.02 0.00 0.00 57.16 57.10 2gju n GLU 202 Cb 0.56 -4.71 -0.03 0.00 -0.02 0.00 0.00 31.44 27.25 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 -3.58 3.18 -0.00 -0.32 2.46 -1.26 -5.03 115.29 110.74 2gju s HIS 203 Ca 0.50 1.38 0.08 0.00 0.47 0.00 0.00 55.06 57.48 2gju s HIS 203 Cb -0.28 -3.61 -0.02 0.00 -0.13 0.00 0.00 32.58 28.54 2gju s HIS 203 CO 0.95 -1.73 -0.25 0.15 -2.47 0.00 0.00 174.74 171.39 2gju s LYS 204 N -1.18 1.92 -0.08 2.88 1.02 -1.26 -4.84 119.74 118.19 2gju s LYS 204 Ca 0.51 -0.92 -0.32 0.00 0.02 0.00 0.00 55.97 55.25 2gju s LYS 204 Cb -0.38 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 34.92 2gju s LYS 204 CO 0.46 0.52 1.97 0.00 -0.92 0.00 0.00 175.35 177.38 2gju n ALA 205 N 2.32 1.20 -2.66 5.17 0.00 0.92 -4.68 120.51 122.77 2gju n ALA 205 Ca -0.16 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 2gju n ALA 205 Cb 0.52 -2.61 -0.16 0.00 0.00 0.00 0.00 19.45 17.20 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 4.90 2.05 0.33 0.00 2.01 -0.74 -0.44 115.64 123.74 2gju s THR 206 Ca 0.94 -1.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 2gju s THR 206 Cb -0.59 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.21 2gju s THR 206 CO 0.47 0.57 0.52 0.72 -0.69 0.00 0.00 174.62 176.21 2gju s PHE 207 N -0.24 0.78 0.13 4.92 -0.71 -0.85 -3.49 117.98 118.51 2gju s PHE 207 Ca -0.01 -1.10 0.06 0.00 -1.04 0.00 0.00 56.93 54.83 2gju s PHE 207 Cb -0.13 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 2gju s PHE 207 CO 0.03 -1.16 -0.13 0.00 -1.34 0.00 0.00 175.22 172.61 2gju s ALA 208 N -3.16 1.51 -0.16 1.99 0.00 -0.74 -0.76 121.76 120.44 2gju s ALA 208 Ca 0.27 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2gju s ALA 208 Cb -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2gju s ALA 208 CO 0.16 0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 175.30 2gju s LEU 209 N -2.59 2.01 -0.20 0.00 1.43 0.36 -0.63 118.68 119.06 2gju s LEU 209 Ca 0.11 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 2gju s LEU 209 Cb -0.04 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2gju s LEU 209 CO 0.03 0.00 0.04 -0.69 0.23 0.00 0.00 176.35 175.96 2gju s VAL 210 N 1.23 4.41 -0.22 -1.59 1.01 -0.10 -1.28 120.40 123.87 2gju s VAL 210 Ca 0.02 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2gju s VAL 210 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2gju s VAL 210 CO -0.10 0.43 1.82 -0.62 0.00 0.00 0.00 175.10 176.63 2gju s ASP 211 N 0.79 6.07 0.00 3.32 -1.08 -0.18 -0.77 116.67 124.82 2gju s ASP 211 Ca 0.02 1.70 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 2gju s ASP 211 Cb -0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2gju s ASP 211 CO 0.02 -1.50 0.94 0.00 0.52 0.00 0.00 175.17 175.15 2gju n ALA 212 N 9.50 0.91 -0.02 3.66 0.00 -0.36 0.02 120.51 134.22 2gju n ALA 212 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 2gju n ALA 212 Cb 0.45 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 2gju n ALA 212 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gju n GLU 213 N -1.44 1.98 0.00 0.00 -0.58 -1.26 -4.08 120.64 115.27 2gju n GLU 213 Ca 0.00 0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.81 2gju n GLU 213 Cb 0.05 -1.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.34 0.00 -1.39 2.62 -2.24 -1.15 -4.98 114.28 104.80 2gju n THR 214 Ca -0.06 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2gju n THR 214 Cb 0.59 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.54 -0.64 -4.74 3.22 4.77 0.10 -4.95 117.00 114.22 2gju n LEU 215 Ca 0.04 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 2gju n LEU 215 Cb 0.25 -2.71 -0.04 0.00 -2.33 0.00 0.00 43.42 38.59 2gju n LEU 215 CO 0.19 -1.05 0.83 -0.75 -1.33 0.00 0.00 177.39 175.28 2gju s LYS 216 N -3.13 4.56 -0.17 3.23 2.20 -1.26 -4.65 119.74 120.51 2gju s LYS 216 Ca 0.00 1.79 -0.08 0.00 -0.36 0.00 0.00 55.97 57.32 2gju s LYS 216 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2gju s LYS 216 CO 0.00 0.02 0.11 0.08 -0.36 0.00 0.00 175.35 175.21 2gju s VAL 217 N -0.28 5.24 -0.13 4.02 1.01 -1.26 -1.01 120.40 127.99 2gju s VAL 217 Ca 0.50 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2gju s VAL 217 Cb -0.31 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2gju s VAL 217 CO 0.36 0.50 -0.20 -0.75 0.00 0.00 0.00 175.10 175.01 2gju s LYS 218 N -0.05 2.81 -0.09 2.72 2.20 -0.40 -4.98 119.74 121.95 2gju s LYS 218 Ca 0.09 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.82 2gju s LYS 218 Cb -0.12 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 2gju s LYS 218 CO 0.00 -0.02 0.24 -0.06 -0.36 0.00 0.00 175.35 175.15 2gju s PHE 219 N 0.85 3.62 0.01 4.03 0.40 -1.26 -0.49 117.98 125.15 2gju s PHE 219 Ca -0.07 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 57.01 2gju s PHE 219 Cb -0.15 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2gju s PHE 219 CO -0.02 0.65 -0.25 0.42 0.70 0.00 0.00 175.22 176.72 2gju s ILE 220 N -0.86 1.97 -0.05 0.64 -1.09 0.06 -5.00 121.20 116.87 2gju s ILE 220 Ca 0.18 -1.20 0.04 0.00 -2.23 0.00 0.00 60.65 57.44 2gju s ILE 220 Cb -0.14 -1.66 -0.00 0.00 -1.58 0.00 0.00 42.46 39.08 2gju s ILE 220 CO 0.07 0.43 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.42 2gju s GLU 221 N -0.91 1.93 -0.00 2.79 2.02 -1.26 -2.00 118.70 121.27 2gju s GLU 221 Ca 0.10 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.48 2gju s GLU 221 Cb -0.10 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.49 2gju s GLU 221 CO 0.01 0.22 -0.07 0.08 0.02 0.00 0.00 175.26 175.52 2gju s VAL 222 N 0.12 0.58 0.34 2.63 1.01 0.42 -4.96 120.40 120.54 2gju s VAL 222 Ca -0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2gju s VAL 222 Cb -0.13 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 2gju s VAL 222 CO 0.03 0.12 0.74 -1.61 0.00 0.00 0.00 175.10 174.38 2gju s GLU 223 N -0.29 3.95 0.09 2.72 2.02 -1.26 -0.06 118.70 125.88 2gju s GLU 223 Ca 0.02 0.63 -0.05 0.00 0.02 0.00 0.00 54.97 55.58 2gju s GLU 223 Cb -0.03 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 2gju s GLU 223 CO -0.00 0.11 0.12 1.52 0.02 0.00 0.00 175.26 177.03 2gju s TYR 224 N -2.07 0.39 -0.39 1.61 -0.85 -1.26 -4.89 117.35 109.89 2gju s TYR 224 Ca 0.54 -0.84 -0.26 0.00 -0.52 0.00 0.00 57.07 55.99 2gju s TYR 224 Cb -0.10 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.04 2gju s TYR 224 CO 0.20 -0.52 0.92 0.34 -1.52 0.00 0.00 175.55 174.97 2gju s ASP 225 N -2.92 6.63 0.13 -0.18 2.15 -1.26 -4.93 116.67 116.29 2gju s ASP 225 Ca 0.10 0.47 0.08 0.00 0.43 0.00 0.00 52.55 53.63 2gju s ASP 225 Cb 0.06 -2.46 -0.18 0.00 -0.30 0.00 0.00 42.92 40.05 2gju s ASP 225 CO -0.07 -0.89 1.26 0.11 -0.17 0.00 0.00 175.17 175.40 2gju h LYS 226 N 8.61 0.00 -0.62 4.34 1.57 -1.99 -3.35 116.57 125.12 2gju h LYS 226 Ca -0.23 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2gju h LYS 226 Cb 1.08 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 2gju h LYS 226 CO 0.99 0.90 0.34 -0.22 -0.57 0.00 0.00 179.45 180.89 2gju h LYS 227 N 0.00 0.62 0.00 3.15 1.63 -1.99 0.82 116.57 120.81 2gju h LYS 227 Ca -0.03 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2gju h LYS 227 Cb 1.74 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.22 2gju h LYS 227 CO 0.12 0.41 -0.14 -0.84 -3.45 0.00 0.00 179.45 175.55 2gju h ILE 228 N 0.64 1.08 -0.14 2.00 3.07 -2.00 0.14 117.51 122.30 2gju h ILE 228 Ca 0.27 -0.49 -0.17 0.00 1.55 0.00 0.00 64.86 66.02 2gju h ILE 228 Cb 0.15 1.27 0.01 0.00 -0.27 0.00 0.00 36.82 37.97 2gju h ILE 228 CO -0.17 0.14 -0.58 0.40 -1.05 0.00 0.00 178.15 176.89 2gju h ILE 229 N 0.00 1.33 -0.18 0.16 2.04 -1.33 -1.38 117.51 118.13 2gju h ILE 229 Ca -0.00 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.02 2gju h ILE 229 Cb 0.25 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2gju h ILE 229 CO 0.02 0.57 0.10 -0.08 0.00 0.00 0.00 178.15 178.76 2gju h GLU 230 N 0.31 0.21 -0.89 2.37 4.81 -0.07 -0.14 114.58 121.17 2gju h GLU 230 Ca -0.03 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2gju h GLU 230 Cb 1.22 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2gju h GLU 230 CO 0.12 0.14 0.58 -0.44 -0.73 0.00 0.00 179.01 178.67 2gju h ASP 231 N 0.21 1.03 -0.40 1.04 3.45 -0.73 -1.68 116.42 119.34 2gju h ASP 231 Ca 0.07 -0.04 -0.13 0.00 0.43 0.00 0.00 57.03 57.37 2gju h ASP 231 Cb 0.00 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 2gju h ASP 231 CO -0.04 0.76 -0.24 -0.09 -1.57 0.00 0.00 179.24 178.06 2gju h ARG 232 N 1.21 0.92 -0.33 3.56 9.65 -0.79 -0.77 114.38 127.82 2gju h ARG 232 Ca 0.32 -0.40 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2gju h ARG 232 Cb -0.12 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 2gju h ARG 232 CO -0.07 1.05 0.16 0.82 2.80 0.00 0.00 179.97 184.74 2gju h ILE 233 N 0.79 0.98 -0.30 1.20 2.04 -0.40 -1.18 117.51 120.64 2gju h ILE 233 Ca 0.10 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2gju h ILE 233 Cb 0.80 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2gju h ILE 233 CO 0.07 0.06 0.09 0.11 0.00 0.00 0.00 178.15 178.48 2gju h LYS 234 N 0.34 0.47 -0.66 2.37 1.57 -1.13 -1.91 116.57 117.62 2gju h LYS 234 Ca 0.14 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2gju h LYS 234 Cb 0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2gju h LYS 234 CO -0.10 0.52 0.43 1.25 -0.57 0.00 0.00 179.45 180.99 2gju h LEU 235 N 0.32 0.64 -0.54 2.94 5.85 -0.86 -0.63 115.31 123.04 2gju h LEU 235 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2gju h LEU 235 Cb 0.25 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2gju h LEU 235 CO -0.00 0.43 0.00 -0.62 -0.34 0.00 0.00 178.44 177.91 2gju n GLU 236 N -4.47 1.37 -3.23 1.25 -0.58 -0.47 -4.93 120.64 109.58 2gju n GLU 236 Ca 0.09 -0.54 -0.23 0.00 -0.42 0.00 0.00 57.16 56.06 2gju n GLU 236 Cb 0.17 -1.45 0.05 0.00 -0.57 0.00 0.00 31.44 29.64 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 -0.32 -6.07 -2.54 3.49 5.02 -0.24 -5.01 118.16 112.49 2gju n LYS 237 Ca 0.20 0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 57.11 2gju n LYS 237 Cb 0.23 -5.83 0.02 0.00 -0.02 0.00 0.00 35.03 29.44 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 -6.93 3.38 0.29 -0.35 1.43 -0.77 -5.02 118.68 110.71 2gju s LEU 238 Ca 0.41 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 2gju s LEU 238 Cb -0.18 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 2gju s LEU 238 CO 0.51 -0.91 1.01 -2.65 0.23 0.00 0.00 176.35 174.53 2gju n PRO 239 N -2.43 1.35 0.26 1.29 -0.02 -1.26 -4.76 135.00 129.42 2gju n PRO 239 Ca 0.03 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 2gju n PRO 239 Cb 0.57 -1.84 0.72 0.00 -0.02 0.00 0.00 33.50 32.93 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 1.98 0.00 -0.36 -0.52 4.57 -1.97 -1.80 114.58 116.47 2gju h GLU 240 Ca -0.39 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 57.85 2gju h GLU 240 Cb 1.34 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 2gju h GLU 240 CO 0.60 0.12 0.25 1.49 -1.18 0.00 0.00 179.01 180.29 2gju h GLU 241 N 0.00 0.21 -0.11 1.92 4.57 -1.99 -0.41 114.58 118.76 2gju h GLU 241 Ca -0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2gju h GLU 241 Cb 0.36 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2gju h GLU 241 CO 0.02 0.14 -0.50 0.28 -1.18 0.00 0.00 179.01 177.76 2gju h VAL 242 N 0.22 1.34 -0.32 0.32 2.07 -1.68 -1.38 116.25 116.81 2gju h VAL 242 Ca 0.16 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 2gju h VAL 242 Cb 0.37 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2gju h VAL 242 CO -0.03 0.52 -0.34 0.40 0.02 0.00 0.00 177.57 178.15 2gju h ILE 243 N 0.23 1.28 -0.18 4.57 2.04 -1.21 -1.49 117.51 122.75 2gju h ILE 243 Ca 0.01 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2gju h ILE 243 Cb 0.97 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2gju h ILE 243 CO 0.08 0.48 0.10 0.50 0.00 0.00 0.00 178.15 179.32 2gju h LYS 244 N 0.60 0.25 -0.79 2.37 3.64 -1.00 -2.39 116.57 119.26 2gju h LYS 244 Ca 0.06 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2gju h LYS 244 Cb 0.86 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2gju h LYS 244 CO 0.07 0.23 0.39 0.82 -2.27 0.00 0.00 179.45 178.69 2gju h ILE 245 N 0.20 1.24 -0.54 2.00 2.04 -1.12 0.23 117.51 121.56 2gju h ILE 245 Ca 0.06 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.34 2gju h ILE 245 Cb 0.05 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 2gju h ILE 245 CO -0.01 0.28 0.21 0.25 0.00 0.00 0.00 178.15 178.89 2gju h LEU 246 N 1.11 0.24 0.00 1.44 5.85 -0.80 0.48 115.31 123.63 2gju h LEU 246 Ca 0.27 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 2gju h LEU 246 Cb 0.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2gju h LEU 246 CO -0.04 0.16 -1.64 -1.22 -0.34 0.00 0.00 178.44 175.36 2gju n TYR 247 N -4.97 0.40 -0.11 1.25 4.01 -0.94 -4.51 117.16 112.29 2gju n TYR 247 Ca 0.06 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 2gju n TYR 247 Cb 0.21 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 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 -2.47 0.00 -0.03 -0.72 8.25 0.78 -3.98 115.22 117.05 2gju n HIS 248 Ca -0.05 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2gju n HIS 248 Cb 0.62 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.07 -2.37 3.79 -1.41 0.00 0.17 -3.91 105.19 101.39 2gju n GLY 249 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.46 -0.18 0.01 -0.02 0.00 -0.66 -4.28 107.32 97.74 2gju s GLY 250 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2gju s GLY 250 CO 0.00 -0.05 0.09 -1.59 0.00 0.00 0.00 173.10 171.56 2gju s LYS 251 N -3.88 3.07 0.00 2.90 -2.85 -1.26 -4.54 119.74 113.17 2gju s LYS 251 Ca 0.09 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2gju s LYS 251 Cb -0.05 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2gju s LYS 251 CO 0.04 0.63 0.44 0.00 0.10 0.00 0.00 175.35 176.56