#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee h ASP 2 N 0.00 0.00 -3.08 7.83 3.58 -2.08 -3.46 116.42 119.21 1nee h ASP 2 Ca 0.00 -0.05 -0.53 0.00 0.42 0.00 0.00 57.03 56.88 1nee h ASP 2 Cb 0.00 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.10 1nee h ASP 2 CO 0.00 0.02 0.83 -1.81 -2.88 0.00 0.00 179.24 175.40 1nee s ASP 3 N -5.22 6.60 -0.86 2.28 1.11 -1.26 -4.86 116.67 114.46 1nee s ASP 3 Ca 0.06 2.65 -0.20 0.00 0.18 0.00 0.00 52.55 55.23 1nee s ASP 3 Cb 0.09 -2.61 -0.13 0.00 1.07 0.00 0.00 42.92 41.35 1nee s ASP 3 CO 0.70 -0.78 1.98 -1.22 1.18 0.00 0.00 175.17 177.03 1nee n TYR 4 N 3.22 2.03 -0.05 4.23 4.02 -1.26 -4.58 117.16 124.77 1nee n TYR 4 Ca 0.11 -1.95 -0.05 0.00 -0.01 0.00 0.00 57.90 55.99 1nee n TYR 4 Cb 0.39 -1.80 -0.05 0.00 -0.02 0.00 0.00 39.34 37.86 1nee n TYR 4 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1nee h GLU 5 N 7.58 -0.02 -5.60 -0.72 5.08 -1.93 -3.48 114.58 115.48 1nee h GLU 5 Ca 0.45 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.29 1nee h GLU 5 Cb 0.63 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 1nee h GLU 5 CO 1.93 0.34 -0.68 0.15 -1.00 0.00 0.00 179.01 179.74 1nee s LYS 6 N -1.92 1.58 0.41 2.33 3.01 -1.26 -5.16 119.74 118.74 1nee s LYS 6 Ca -0.07 -1.80 0.07 0.00 -1.01 0.00 0.00 55.97 53.16 1nee s LYS 6 Cb -0.01 -1.26 -0.04 0.00 -1.01 0.00 0.00 37.83 35.51 1nee s LYS 6 CO 0.26 0.07 0.25 -0.51 0.51 0.00 0.00 175.35 175.94 1nee s LEU 7 N -3.46 3.23 0.00 3.17 1.43 -1.26 -5.15 118.68 116.63 1nee s LEU 7 Ca 0.30 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1nee s LEU 7 Cb 0.03 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1nee s LEU 7 CO 0.12 -0.58 0.00 0.18 0.23 0.00 0.00 176.35 176.31 1nee n LEU 8 N -1.35 0.00 -2.57 1.79 4.32 -1.26 -4.96 117.00 112.97 1nee n LEU 8 Ca 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 1nee n LEU 8 Cb 0.63 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.44 1nee n LEU 8 CO 0.45 0.00 0.10 -0.62 -1.22 0.00 0.00 177.39 176.10 1nee n GLU 9 N 0.00 -1.56 -0.10 3.23 -0.58 -1.26 -5.02 120.64 115.35 1nee n GLU 9 Ca 0.00 1.59 -0.19 0.00 -0.42 0.00 0.00 57.16 58.14 1nee n GLU 9 Cb 0.00 -4.68 -0.06 0.00 -0.57 0.00 0.00 31.44 26.12 1nee n GLU 9 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1nee n ARG 10 N -0.71 0.46 -0.01 3.49 1.74 -1.26 -4.51 116.66 115.86 1nee n ARG 10 Ca 0.06 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1nee n ARG 10 Cb 0.39 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1nee n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nee n ALA 11 N -4.07 2.43 -3.26 7.54 0.00 -1.26 0.37 120.51 122.25 1nee n ALA 11 Ca -0.34 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1nee n ALA 11 Cb 0.70 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1nee n ALA 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1nee n ILE 12 N 0.56 4.65 0.00 0.00 -6.64 -1.26 -4.66 119.36 112.00 1nee n ILE 12 Ca 0.00 -5.54 0.00 0.00 -1.77 0.00 0.00 62.75 55.44 1nee n ILE 12 Cb 0.46 -2.40 0.00 0.00 -1.44 0.00 0.00 39.64 36.26 1nee n ILE 12 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1nee n ASP 13 N 2.16 0.00 -0.04 7.28 2.03 -1.26 -4.65 116.55 122.07 1nee n ASP 13 Ca 0.25 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.52 1nee n ASP 13 Cb 0.37 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1nee h GLN 14 N 0.00 -0.04 -6.28 -0.67 4.20 -1.84 -3.45 115.11 107.02 1nee h GLN 14 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.16 1nee h GLN 14 Cb 0.00 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1nee h GLN 14 CO 0.00 0.18 0.05 -1.17 -0.67 0.00 0.00 178.83 177.22 1nee s LEU 15 N -8.54 4.51 0.99 1.46 0.20 0.16 -4.98 118.68 112.48 1nee s LEU 15 Ca -0.05 1.36 -0.14 0.00 0.69 0.00 0.00 54.13 55.99 1nee s LEU 15 Cb -0.00 -3.05 0.06 0.00 -0.43 0.00 0.00 46.19 42.76 1nee s LEU 15 CO 0.16 0.18 0.33 -0.81 -0.29 0.00 0.00 176.35 175.92 1nee n PRO 16 N 2.08 -0.64 0.15 0.98 -0.04 -1.26 -4.28 135.00 131.99 1nee n PRO 16 Ca -0.07 -0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.17 1nee n PRO 16 Cb 0.50 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 1nee n PRO 16 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1nee h PRO 17 N -1.71 -0.39 0.00 0.54 0.13 -1.97 -3.45 132.00 125.15 1nee h PRO 17 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1nee h PRO 17 Cb 1.30 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1nee h PRO 17 CO 0.35 -0.26 0.00 -1.91 -0.23 0.00 0.00 178.00 175.95 1nee n GLU 18 N -3.20 0.00 -1.76 0.86 0.00 -1.26 -4.75 120.64 110.54 1nee n GLU 18 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.82 1nee n GLU 18 Cb 0.17 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.71 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1nee s VAL 19 N 0.00 2.23 -2.00 6.31 1.01 -1.26 -4.98 120.40 121.71 1nee s VAL 19 Ca 0.00 0.08 0.22 0.00 0.00 0.00 0.00 61.98 62.27 1nee s VAL 19 Cb 0.00 -2.98 0.62 0.00 0.00 0.00 0.00 36.38 34.03 1nee s VAL 19 CO 0.00 -0.10 1.52 2.22 0.00 0.00 0.00 175.10 178.74 1nee n PHE 20 N -3.44 0.94 -2.28 5.22 1.16 -1.26 -4.96 117.46 112.85 1nee n PHE 20 Ca 0.07 -0.47 -0.41 0.00 -1.87 0.00 0.00 57.45 54.77 1nee n PHE 20 Cb 0.60 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 1nee n PHE 20 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1nee s GLU 21 N -1.06 4.42 -0.23 3.97 -1.05 -1.26 -4.95 118.70 118.54 1nee s GLU 21 Ca 0.47 1.98 -0.29 0.00 -0.15 0.00 0.00 54.97 56.98 1nee s GLU 21 Cb 0.25 -3.22 -0.02 0.00 -0.44 0.00 0.00 34.13 30.69 1nee s GLU 21 CO 0.32 -0.20 1.60 -0.08 0.95 0.00 0.00 175.26 177.85 1nee s THR 22 N 0.13 3.71 0.12 1.83 -1.32 -1.26 -4.99 115.64 113.85 1nee s THR 22 Ca 0.56 0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 61.81 1nee s THR 22 Cb -0.35 -3.73 0.03 0.00 -1.51 0.00 0.00 72.50 66.93 1nee s THR 22 CO 0.37 -0.31 0.15 0.29 -2.21 0.00 0.00 174.62 172.91 1nee n LYS 23 N 7.68 -0.27 -0.84 7.08 4.76 -1.26 -4.84 118.16 130.47 1nee n LYS 23 Ca 0.19 -0.23 -0.25 0.00 -2.87 0.00 0.00 58.31 55.14 1nee n LYS 23 Cb 0.45 -0.16 -0.02 0.00 -1.84 0.00 0.00 35.03 33.46 1nee n LYS 23 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1nee n ARG 24 N -1.39 2.30 -2.38 1.97 0.63 -1.26 -4.84 116.66 111.70 1nee n ARG 24 Ca 0.02 -1.58 -0.37 0.00 -0.92 0.00 0.00 57.85 55.00 1nee n ARG 24 Cb 0.07 -2.52 -0.04 0.00 0.45 0.00 0.00 32.46 30.42 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1nee s PHE 25 N 3.28 2.23 -0.01 -0.14 0.08 -1.26 -4.93 117.98 117.23 1nee s PHE 25 Ca 0.44 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.30 1nee s PHE 25 Cb 0.11 -4.46 0.01 0.00 -0.57 0.00 0.00 43.02 38.11 1nee s PHE 25 CO -0.03 -1.94 -0.01 -2.00 -0.10 0.00 0.00 175.22 171.14 1nee s GLU 26 N 5.80 0.18 -0.37 0.44 -6.30 -1.26 -5.11 118.70 112.08 1nee s GLU 26 Ca 0.53 -0.00 0.04 0.00 -2.50 0.00 0.00 54.97 53.04 1nee s GLU 26 Cb -0.04 -0.26 0.16 0.00 0.00 0.00 0.00 34.13 33.99 1nee s GLU 26 CO -0.01 -0.03 0.43 0.08 0.02 0.00 0.00 175.26 175.74 1nee s VAL 27 N 0.38 -0.47 0.00 3.70 1.01 -1.26 -5.16 120.40 118.60 1nee s VAL 27 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1nee s VAL 27 Cb -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1nee s VAL 27 CO -0.01 -0.46 0.00 -2.65 0.00 0.00 0.00 175.10 171.98 1nee n PRO 28 N 4.34 -0.37 -2.56 2.72 -0.02 -1.26 -4.80 135.00 133.05 1nee n PRO 28 Ca 0.10 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.54 1nee n PRO 28 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.92 1nee n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nee n LYS 29 N -1.15 -4.15 -0.67 -0.52 4.01 -1.26 -5.02 118.16 109.41 1nee n LYS 29 Ca 0.00 3.18 -0.02 0.00 -0.51 0.00 0.00 58.31 60.96 1nee n LYS 29 Cb 0.00 -4.93 -0.02 0.00 -0.51 0.00 0.00 35.03 29.57 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nee n ALA 30 N 1.40 2.58 -3.34 7.82 0.00 -1.26 -5.03 120.51 122.68 1nee n ALA 30 Ca -0.32 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 1nee n ALA 30 Cb 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1nee n ALA 30 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nee s TYR 31 N 0.00 -0.03 1.14 0.00 -0.85 -1.26 -4.79 117.35 111.56 1nee s TYR 31 Ca 0.00 -0.33 -0.19 0.00 -0.52 0.00 0.00 57.07 56.03 1nee s TYR 31 Cb 0.00 0.39 0.27 0.00 0.38 0.00 0.00 41.96 43.00 1nee s TYR 31 CO -0.00 -0.97 1.18 -1.12 -1.52 0.00 0.00 175.55 173.12 1nee s SER 32 N -2.91 1.51 -0.08 -0.18 0.01 -1.26 -4.97 113.70 105.81 1nee s SER 32 Ca 0.12 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1nee s SER 32 Cb -0.02 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1nee s SER 32 CO 0.01 -3.74 -0.13 -0.69 0.41 0.00 0.00 173.24 169.09 1nee s VAL 33 N -3.29 1.29 0.25 3.43 1.01 -1.26 -4.66 120.40 117.16 1nee s VAL 33 Ca 0.72 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1nee s VAL 33 Cb -0.07 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 1nee s VAL 33 CO 0.55 0.39 0.87 -0.51 0.00 0.00 0.00 175.10 176.41 1nee s ILE 34 N 0.82 4.26 -0.37 2.22 -1.16 -1.26 -2.64 121.20 123.06 1nee s ILE 34 Ca -0.11 1.79 0.06 0.00 -0.51 0.00 0.00 60.65 61.87 1nee s ILE 34 Cb -0.15 -4.10 0.17 0.00 0.61 0.00 0.00 42.46 38.99 1nee s ILE 34 CO 0.02 0.33 0.52 -1.58 -2.81 0.00 0.00 174.94 171.42 1nee s GLN 35 N -1.62 0.69 0.00 3.50 -0.44 -0.99 -4.97 119.66 115.83 1nee s GLN 35 Ca 0.44 -0.30 0.00 0.00 -2.50 0.00 0.00 55.36 53.00 1nee s GLN 35 Cb -0.21 -0.18 0.00 0.00 -1.64 0.00 0.00 33.01 30.98 1nee s GLN 35 CO 0.26 -1.16 0.00 0.41 0.50 0.00 0.00 175.29 175.30 1nee n GLY 36 N 4.60 1.10 1.32 2.59 0.00 -1.26 -1.85 105.19 111.68 1nee n GLY 36 Ca 0.09 0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 1nee n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nee n ASN 37 N 2.47 -0.45 -3.91 1.61 4.13 -1.26 -5.13 115.26 112.72 1nee n ASN 37 Ca 0.00 -2.02 -0.10 0.00 1.68 0.00 0.00 54.58 54.14 1nee n ASN 37 Cb 0.00 0.16 -0.09 0.00 -1.54 0.00 0.00 39.78 38.30 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nee s ARG 38 N -0.11 0.58 -0.23 3.52 1.70 -0.77 -2.20 118.95 121.43 1nee s ARG 38 Ca 0.10 -0.68 -0.07 0.00 -0.47 0.00 0.00 55.73 54.61 1nee s ARG 38 Cb 0.14 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1nee s ARG 38 CO -0.05 -0.15 0.04 -0.08 -1.08 0.00 0.00 175.30 173.98 1nee s THR 39 N -2.39 4.16 -1.20 4.99 -1.32 -0.17 -2.34 115.64 117.37 1nee s THR 39 Ca -0.07 -0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 60.12 1nee s THR 39 Cb -0.02 -2.93 0.22 0.00 -1.51 0.00 0.00 72.50 68.26 1nee s THR 39 CO -0.03 0.37 1.78 0.49 -2.21 0.00 0.00 174.62 175.02 1nee n PHE 40 N 4.74 2.62 -1.93 9.09 3.01 -1.08 -0.95 117.46 132.96 1nee n PHE 40 Ca -0.17 -2.69 -0.42 0.00 1.01 0.00 0.00 57.45 55.18 1nee n PHE 40 Cb 0.51 -1.64 -0.03 0.00 -0.01 0.00 0.00 39.48 38.31 1nee n PHE 40 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1nee s ILE 41 N -1.17 3.38 -0.07 4.37 1.01 -0.34 -4.45 121.20 123.93 1nee s ILE 41 Ca 0.38 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.61 1nee s ILE 41 Cb 0.09 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 1nee s ILE 41 CO 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 174.94 174.91 1nee n GLN 42 N 6.91 1.89 -1.63 2.79 10.64 -1.26 -1.65 117.38 135.06 1nee n GLN 42 Ca 0.17 0.02 -0.33 0.00 -1.83 0.00 0.00 57.00 55.03 1nee n GLN 42 Cb 0.42 -1.17 0.06 0.00 -0.86 0.00 0.00 30.24 28.69 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1nee n ASN 43 N -2.43 6.98 -0.01 2.61 4.13 -1.26 -4.74 115.26 120.54 1nee n ASN 43 Ca -0.12 -3.79 0.22 0.00 1.68 0.00 0.00 54.58 52.57 1nee n ASN 43 Cb 0.69 -0.84 0.58 0.00 -1.54 0.00 0.00 39.78 38.66 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1nee h PHE 44 N 2.25 0.00 0.14 3.10 -0.00 -1.96 0.88 116.94 121.35 1nee h PHE 44 Ca 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.50 1nee h PHE 44 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.77 1nee h PHE 44 CO 1.24 0.00 -0.07 -0.09 -0.00 0.00 0.00 178.31 179.40 1nee h ARG 45 N 0.00 -0.18 0.08 6.09 9.65 -1.98 -2.07 114.38 125.97 1nee h ARG 45 Ca 0.30 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 59.05 1nee h ARG 45 Cb 1.90 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 30.52 1nee h ARG 45 CO -0.00 0.27 -0.66 1.49 2.80 0.00 0.00 179.97 183.86 1nee h GLU 46 N -0.74 0.17 -0.99 0.20 4.81 -1.26 -2.86 114.58 113.91 1nee h GLU 46 Ca -0.02 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1nee h GLU 46 Cb 0.53 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1nee h GLU 46 CO 0.03 1.14 0.64 0.28 -0.73 0.00 0.00 179.01 180.37 1nee h VAL 47 N -0.62 1.12 -0.02 0.32 2.07 0.49 -2.40 116.25 117.20 1nee h VAL 47 Ca -0.13 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nee h VAL 47 Cb 1.42 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1nee h VAL 47 CO 0.06 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.81 1nee h ALA 48 N 1.43 0.03 -0.06 1.67 0.00 -1.50 -2.75 119.26 118.08 1nee h ALA 48 Ca 0.41 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nee h ALA 48 Cb 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1nee h ALA 48 CO -0.15 -0.12 -0.22 0.22 0.00 0.00 0.00 179.25 178.98 1nee h ASP 49 N -0.50 -0.71 -0.50 0.00 3.58 -1.29 0.39 116.42 117.40 1nee h ASP 49 Ca -0.00 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.63 1nee h ASP 49 Cb 0.66 0.28 -0.10 0.00 1.72 0.00 0.00 39.33 41.89 1nee h ASP 49 CO 0.01 -0.20 -0.19 0.00 -2.88 0.00 0.00 179.24 175.99 1nee h ALA 50 N -0.96 0.21 0.00 -0.78 0.00 -1.57 0.50 119.26 116.67 1nee h ALA 50 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nee h ALA 50 Cb 0.27 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nee h ALA 50 CO -0.18 -0.51 0.00 -0.11 0.00 0.00 0.00 179.25 178.44 1nee n LEU 51 N -5.39 0.59 0.00 0.00 7.94 -0.96 -4.19 117.00 114.99 1nee n LEU 51 Ca 0.04 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 1nee n LEU 51 Cb 0.30 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.58 1nee n LEU 51 CO 0.08 -0.70 0.00 -3.20 -1.11 0.00 0.00 177.39 172.47 1nee n ASN 52 N -2.21 0.00 -0.36 1.96 5.15 0.14 -4.79 115.26 115.16 1nee n ASN 52 Ca 0.01 0.00 0.34 0.00 -0.60 0.00 0.00 54.58 54.33 1nee n ASN 52 Cb 0.15 0.00 0.70 0.00 -0.53 0.00 0.00 39.78 40.10 1nee n ASN 52 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1nee h ARG 53 N 0.00 0.08 -5.78 1.20 2.47 -0.76 -3.33 114.38 108.26 1nee h ARG 53 Ca 0.00 -0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1nee h ARG 53 Cb 0.00 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.22 1nee h ARG 53 CO 0.00 0.05 0.30 -0.51 0.56 0.00 0.00 179.97 180.37 1nee s ASP 54 N -5.04 6.81 0.18 7.04 1.11 -1.26 -4.81 116.67 120.70 1nee s ASP 54 Ca -0.06 0.99 -0.02 0.00 0.18 0.00 0.00 52.55 53.64 1nee s ASP 54 Cb 0.24 -2.41 0.09 0.00 1.07 0.00 0.00 42.92 41.91 1nee s ASP 54 CO 0.81 -0.38 1.47 1.55 1.18 0.00 0.00 175.17 179.80 1nee h PRO 55 N 7.50 0.47 -0.19 8.23 0.13 -1.93 -3.05 132.00 143.16 1nee h PRO 55 Ca -0.28 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.49 1nee h PRO 55 Cb 1.13 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1nee h PRO 55 CO 0.82 0.96 0.05 0.37 -0.23 0.00 0.00 178.00 179.97 1nee h GLN 56 N 0.34 0.26 0.29 0.86 -0.00 -1.93 -1.98 115.11 112.94 1nee h GLN 56 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 1nee h GLN 56 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1nee h GLN 56 CO 0.12 0.24 -0.14 0.45 0.00 0.00 0.00 178.83 179.50 1nee h HIS 57 N 0.26 -0.36 -0.91 3.99 3.86 -1.92 -2.75 115.15 117.32 1nee h HIS 57 Ca 0.07 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.53 1nee h HIS 57 Cb 0.09 0.12 -0.15 0.00 1.06 0.00 0.00 27.41 28.53 1nee h HIS 57 CO 0.00 -0.22 0.28 1.25 0.86 0.00 0.00 177.93 180.10 1nee h LEU 58 N -0.91 0.04 0.46 2.43 6.46 -1.48 0.21 115.31 122.51 1nee h LEU 58 Ca -0.04 0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1nee h LEU 58 Cb 0.30 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1nee h LEU 58 CO 0.06 -0.19 -0.23 0.25 -0.62 0.00 0.00 178.44 177.72 1nee h LEU 59 N 0.19 -0.55 -1.98 2.25 6.46 -1.44 0.72 115.31 120.97 1nee h LEU 59 Ca 0.60 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.37 1nee h LEU 59 Cb 1.27 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1nee h LEU 59 CO -0.68 -0.38 -0.07 0.07 -0.62 0.00 0.00 178.44 176.76 1nee h LYS 60 N -0.63 0.00 -0.11 1.25 2.10 -0.70 -2.43 116.57 116.05 1nee h LYS 60 Ca -0.06 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.49 1nee h LYS 60 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1nee h LYS 60 CO 0.10 0.07 -0.30 0.35 -2.00 0.00 0.00 179.45 177.66 1nee h PHE 61 N 0.00 0.52 -0.06 0.07 3.04 -0.12 -0.35 116.94 120.05 1nee h PHE 61 Ca -0.00 -0.20 0.02 0.00 3.98 0.00 0.00 57.97 61.77 1nee h PHE 61 Cb 0.14 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1nee h PHE 61 CO 0.00 0.92 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.07 1nee h LEU 62 N -0.03 -0.21 -0.82 0.59 3.38 -0.41 -2.17 115.31 115.65 1nee h LEU 62 Ca -0.01 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1nee h LEU 62 Cb 0.91 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1nee h LEU 62 CO 0.07 -0.10 -0.39 -0.07 0.09 0.00 0.00 178.44 178.04 1nee h LEU 63 N -0.09 0.00 -0.41 1.67 -0.00 -1.55 0.13 115.31 115.06 1nee h LEU 63 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.97 1nee h LEU 63 Cb 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.78 1nee h LEU 63 CO -0.11 0.39 0.19 -0.09 -0.00 0.00 0.00 178.44 178.81 1nee h ARG 64 N 0.00 0.37 0.00 1.13 1.12 -0.41 -3.07 114.38 113.51 1nee h ARG 64 Ca -0.00 -0.02 -0.24 0.00 -1.11 0.00 0.00 59.98 58.60 1nee h ARG 64 Cb 0.96 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.79 1nee h ARG 64 CO 0.05 0.24 -1.87 0.39 -3.11 0.00 0.00 179.97 175.67 1nee n GLU 65 N -4.95 0.65 -1.54 0.20 -0.58 -1.02 -4.84 120.64 108.57 1nee n GLU 65 Ca 0.02 0.11 -0.28 0.00 -0.42 0.00 0.00 57.16 56.59 1nee n GLU 65 Cb 0.12 -1.67 -0.09 0.00 -0.57 0.00 0.00 31.44 29.22 1nee n GLU 65 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nee n LEU 66 N -2.80 1.30 -0.60 -4.62 4.32 0.46 -4.45 117.00 110.61 1nee n LEU 66 Ca -0.18 -0.71 0.00 0.00 -0.02 0.00 0.00 56.01 55.10 1nee n LEU 66 Cb 0.96 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1nee n LEU 66 CO 0.44 -1.75 0.28 0.61 -1.22 0.00 0.00 177.39 175.75 1nee n GLY 67 N 6.27 1.50 3.39 -0.72 0.00 -1.26 -4.79 105.19 109.58 1nee n GLY 67 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -0.78 0.99 0.02 2.61 -4.23 -1.26 -5.00 115.64 107.99 1nee s THR 68 Ca 0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1nee s THR 68 Cb 0.00 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 1nee s THR 68 CO 0.00 -0.05 0.70 0.00 -0.54 0.00 0.00 174.62 174.73 1nee n ALA 69 N -0.58 -0.10 -0.77 3.99 0.00 -1.26 -4.85 120.51 116.94 1nee n ALA 69 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1nee n ALA 69 Cb 0.66 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.04 -1.40 3.75 0.00 0.00 -1.26 -5.03 105.19 100.22 1nee n GLY 70 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 1nee n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nee s ASN 71 N 0.00 -0.29 -0.41 1.61 2.47 -1.26 -4.95 114.94 112.11 1nee s ASN 71 Ca 0.00 -0.44 -0.22 0.00 0.42 0.00 0.00 52.86 52.62 1nee s ASN 71 Cb 0.00 0.64 0.02 0.00 -1.45 0.00 0.00 41.25 40.45 1nee s ASN 71 CO 0.00 -1.15 0.74 -0.76 -3.72 0.00 0.00 177.10 172.20 1nee s LEU 72 N -2.88 4.26 0.10 3.21 1.02 -1.26 -3.02 118.68 120.11 1nee s LEU 72 Ca 0.10 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.30 1nee s LEU 72 Cb -0.04 -2.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.22 1nee s LEU 72 CO 0.02 -0.79 0.12 -1.61 0.02 0.00 0.00 176.35 174.11 1nee s GLU 73 N 3.06 2.97 1.25 1.70 2.02 -0.24 -4.78 118.70 124.69 1nee s GLU 73 Ca 0.28 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1nee s GLU 73 Cb -0.13 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1nee s GLU 73 CO 0.19 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.43 1nee n GLY 74 N 0.18 -1.53 0.25 -1.39 0.00 -1.26 -2.20 105.19 99.24 1nee n GLY 74 Ca -0.08 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.76 1nee n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nee h GLY 75 N -0.26 0.46 0.00 -0.02 0.00 -2.02 -3.44 103.07 97.79 1nee h GLY 75 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1nee h GLY 75 CO 0.00 0.28 0.00 0.54 0.00 0.00 0.00 176.54 177.36 1nee n ARG 76 N -4.23 3.39 -3.55 4.80 3.00 -1.26 -5.02 116.66 113.79 1nee n ARG 76 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 1nee n ARG 76 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.70 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 77 N -3.00 3.97 -3.10 7.54 0.00 -0.66 -4.32 120.51 120.94 1nee n ALA 77 Ca 0.00 -4.64 -0.45 0.00 0.00 0.00 0.00 53.44 48.35 1nee n ALA 77 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N -1.61 5.01 0.44 0.00 1.01 -0.94 -1.19 121.20 123.92 1nee s ILE 78 Ca 0.29 -1.65 0.04 0.00 0.00 0.00 0.00 60.65 59.34 1nee s ILE 78 Cb -0.04 -4.60 0.08 0.00 0.01 0.00 0.00 42.46 37.91 1nee s ILE 78 CO -0.10 -1.25 0.61 0.00 0.00 0.00 0.00 174.94 174.20 1nee n LEU 79 N 5.74 0.00 -3.90 2.97 -0.00 -0.12 -1.08 117.00 120.62 1nee n LEU 79 Ca 0.10 -1.63 -0.11 0.00 -0.00 0.00 0.00 56.01 54.37 1nee n LEU 79 Cb 0.46 -0.36 -0.13 0.00 -0.00 0.00 0.00 43.42 43.40 1nee n LEU 79 CO 0.48 -0.72 -0.34 -1.58 -0.00 0.00 0.00 177.39 175.22 1nee s GLN 80 N -4.01 0.11 0.00 1.47 0.74 -1.26 -1.00 119.66 115.72 1nee s GLN 80 Ca 0.44 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1nee s GLN 80 Cb -0.03 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.12 1nee s GLN 80 CO 0.28 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 1nee n GLY 81 N 2.62 -0.56 0.00 2.59 0.00 -0.94 -4.04 105.19 104.86 1nee n GLY 81 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1nee n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nee n LYS 82 N 0.00 0.70 -0.95 1.61 5.02 -1.26 -4.67 118.16 118.62 1nee n LYS 82 Ca 0.00 -0.68 -0.13 0.00 -2.02 0.00 0.00 58.31 55.47 1nee n LYS 82 Cb 0.00 -0.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nee n PHE 83 N -0.13 0.77 -1.45 2.13 3.01 -1.26 -4.73 117.46 115.80 1nee n PHE 83 Ca 0.00 -1.60 -0.40 0.00 1.01 0.00 0.00 57.45 56.46 1nee n PHE 83 Cb 0.35 -1.09 -0.05 0.00 -0.01 0.00 0.00 39.48 38.69 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N 1.29 2.13 -3.94 4.37 -2.24 -1.26 -4.25 114.28 110.38 1nee n THR 84 Ca 0.29 -1.95 -0.31 0.00 -2.27 0.00 0.00 64.05 59.81 1nee n THR 84 Cb 0.64 -2.33 -0.04 0.00 -2.10 0.00 0.00 70.33 66.50 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nee n HIS 85 N 8.64 -1.53 0.00 4.78 1.44 -1.26 -4.73 115.22 122.55 1nee n HIS 85 Ca 0.49 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.77 1nee n HIS 85 Cb 0.42 -2.16 0.00 0.00 0.12 0.00 0.00 29.99 28.37 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -3.86 0.00 0.02 -1.40 3.72 -1.26 -3.81 117.46 110.87 1nee n PHE 86 Ca 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 1nee n PHE 86 Cb 0.48 -0.08 0.25 0.00 -0.94 0.00 0.00 39.48 39.19 1nee n PHE 86 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nee h LEU 87 N 0.00 0.45 0.69 4.37 7.12 -1.89 -2.39 115.31 123.67 1nee h LEU 87 Ca 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.85 1nee h LEU 87 Cb 0.00 -0.12 0.01 0.00 -0.53 0.00 0.00 40.66 40.02 1nee h LEU 87 CO 0.00 0.65 -0.33 0.40 -0.13 0.00 0.00 178.44 179.03 1nee h ILE 88 N 0.42 0.00 -1.01 4.05 2.04 -1.91 -1.63 117.51 119.48 1nee h ILE 88 Ca 0.07 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1nee h ILE 88 Cb 0.55 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 1nee h ILE 88 CO 0.04 0.00 0.63 -1.13 0.00 0.00 0.00 178.15 177.68 1nee h ASN 89 N -1.03 0.89 0.36 1.72 -1.24 -1.65 0.06 115.58 114.68 1nee h ASN 89 Ca -0.10 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1nee h ASN 89 Cb 0.71 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1nee h ASN 89 CO 0.16 0.43 -0.17 -0.08 -1.29 0.00 0.00 177.43 176.47 1nee h GLU 90 N 0.93 -0.47 -0.35 6.67 4.57 -1.38 -0.22 114.58 124.34 1nee h GLU 90 Ca 0.52 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.72 1nee h GLU 90 Cb 0.61 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1nee h GLU 90 CO -0.30 -0.24 0.17 -0.09 -1.18 0.00 0.00 179.01 177.36 1nee h ARG 91 N -0.59 0.50 0.41 1.92 9.65 -0.89 -1.41 114.38 123.96 1nee h ARG 91 Ca -0.05 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1nee h ARG 91 Cb 0.44 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1nee h ARG 91 CO 0.08 0.45 -0.37 0.82 2.80 0.00 0.00 179.97 183.75 1nee h ILE 92 N 0.42 0.25 -0.14 1.20 2.04 -0.96 -1.23 117.51 119.09 1nee h ILE 92 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1nee h ILE 92 Cb 0.12 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1nee h ILE 92 CO -0.02 0.00 0.17 1.05 0.00 0.00 0.00 178.15 179.36 1nee h GLU 93 N -0.79 0.00 -0.37 2.37 -0.00 -0.97 0.29 114.58 115.11 1nee h GLU 93 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.23 1nee h GLU 93 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.43 1nee h GLU 93 CO -0.04 0.00 -0.16 0.22 -0.00 0.00 0.00 179.01 179.03 1nee h ASP 94 N 0.00 0.77 0.00 3.06 1.82 -0.09 -0.22 116.42 121.77 1nee h ASP 94 Ca 0.06 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.19 1nee h ASP 94 Cb 0.41 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1nee h ASP 94 CO -0.00 1.00 -0.74 0.22 -1.61 0.00 0.00 179.24 178.11 1nee h TYR 95 N 0.55 0.00 -0.44 0.28 3.20 -0.68 -3.01 116.97 116.86 1nee h TYR 95 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1nee h TYR 95 Cb 0.70 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1nee h TYR 95 CO 0.06 0.93 0.23 -0.24 -1.64 0.00 0.00 178.16 177.50 1nee h VAL 96 N -1.00 1.17 -1.86 1.81 3.04 -0.63 -3.13 116.25 115.65 1nee h VAL 96 Ca -0.17 -0.45 -0.68 0.00 -1.01 0.00 0.00 66.70 64.38 1nee h VAL 96 Cb 0.95 0.66 -0.35 0.00 -2.01 0.00 0.00 31.29 30.54 1nee h VAL 96 CO -0.10 0.18 0.12 -3.20 -1.01 0.00 0.00 177.57 173.55 1nee n ASN 97 N -4.68 5.99 -0.02 3.17 5.15 -0.09 -4.71 115.26 120.06 1nee n ASN 97 Ca 0.01 -3.76 0.16 0.00 -0.60 0.00 0.00 54.58 50.39 1nee n ASN 97 Cb 0.09 -0.77 0.89 0.00 -0.53 0.00 0.00 39.78 39.47 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1nee n LYS 98 N -0.43 0.91 0.08 1.20 2.85 -1.14 -3.37 118.16 118.27 1nee n LYS 98 Ca 0.44 -0.05 -0.12 0.00 -1.05 0.00 0.00 58.31 57.53 1nee n LYS 98 Cb 0.43 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.23 1nee n LYS 98 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1nee h PHE 99 N 0.11 -0.23 0.04 5.58 3.04 -1.87 0.15 116.94 123.77 1nee h PHE 99 Ca 0.00 -0.01 -0.24 0.00 3.98 0.00 0.00 57.97 61.70 1nee h PHE 99 Cb 0.08 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1nee h PHE 99 CO 0.00 0.17 -1.19 -0.24 -2.02 0.00 0.00 178.31 175.03 1nee h VAL 100 N -0.73 1.52 0.03 1.41 3.04 -1.94 0.49 116.25 120.07 1nee h VAL 100 Ca -0.03 -3.20 -0.07 0.00 -1.01 0.00 0.00 66.70 62.39 1nee h VAL 100 Cb 0.50 2.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.60 1nee h VAL 100 CO 0.04 0.89 -0.33 -0.29 -1.01 0.00 0.00 177.57 176.87 1nee h ILE 101 N 0.02 1.62 -0.30 3.17 6.09 -1.66 -3.33 117.51 123.11 1nee h ILE 101 Ca -0.09 -2.36 0.00 0.00 -1.37 0.00 0.00 64.86 61.04 1nee h ILE 101 Cb 1.87 3.20 0.00 0.00 0.47 0.00 0.00 36.82 42.36 1nee h ILE 101 CO 0.14 0.59 0.00 0.00 -3.07 0.00 0.00 178.15 175.82 1nee n HIS 103 N 0.75 -2.35 -3.14 0.00 8.25 -0.18 -3.62 115.22 114.93 1nee n HIS 103 Ca 0.17 0.94 -0.12 0.00 -0.26 0.00 0.00 57.72 58.44 1nee n HIS 103 Cb 0.41 -4.74 0.01 0.00 1.12 0.00 0.00 29.99 26.79 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -4.51 -1.87 -0.89 -0.41 2.13 0.15 -4.76 120.64 110.48 1nee n GLU 104 Ca -0.15 1.64 -0.28 0.00 0.66 0.00 0.00 57.16 59.03 1nee n GLU 104 Cb 0.62 -4.71 -0.03 0.00 0.27 0.00 0.00 31.44 27.59 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nee n ASN 106 N 4.88 0.00 -3.32 0.00 4.13 -1.26 -4.73 115.26 114.96 1nee n ASN 106 Ca 0.48 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.38 1nee n ASN 106 Cb 0.20 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1nee n ARG 107 N 0.00 4.47 -1.58 3.52 5.12 -1.26 -5.06 116.66 121.87 1nee n ARG 107 Ca 0.00 -4.65 -0.40 0.00 -1.93 0.00 0.00 57.85 50.87 1nee n ARG 107 Cb 0.00 -2.37 0.03 0.00 -1.16 0.00 0.00 32.46 28.96 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1nee n PRO 108 N -0.17 1.03 -0.29 5.56 -0.02 -1.26 -4.85 135.00 135.00 1nee n PRO 108 Ca 0.42 0.38 -0.03 0.00 -2.02 0.00 0.00 63.50 62.24 1nee n PRO 108 Cb 0.32 -1.99 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1nee n PRO 108 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nee n ASP 109 N 0.16 2.86 -4.78 2.55 2.03 -1.26 -4.85 116.55 113.27 1nee n ASP 109 Ca 0.11 -2.36 -0.30 0.00 0.52 0.00 0.00 54.79 52.76 1nee n ASP 109 Cb 0.43 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.19 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nee s THR 110 N -1.06 1.44 -0.46 5.18 -4.23 -1.26 -5.09 115.64 110.15 1nee s THR 110 Ca 0.15 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.56 1nee s THR 110 Cb 0.12 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1nee s THR 110 CO 0.03 0.00 0.80 -0.13 -0.54 0.00 0.00 174.62 174.78 1nee s ARG 111 N -3.95 3.38 0.01 3.99 3.00 -1.26 -5.03 118.95 119.09 1nee s ARG 111 Ca 0.17 -0.16 0.03 0.00 0.00 0.00 0.00 55.73 55.78 1nee s ARG 111 Cb 0.02 -3.96 -0.03 0.00 0.00 0.00 0.00 34.95 30.97 1nee s ARG 111 CO 0.10 -1.17 -0.06 0.42 0.00 0.00 0.00 175.30 174.59 1nee s ILE 112 N 3.34 3.69 -0.01 1.52 1.01 -1.26 -4.85 121.20 124.64 1nee s ILE 112 Ca 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1nee s ILE 112 Cb -0.12 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1nee s ILE 112 CO 0.22 0.37 0.01 0.27 0.00 0.00 0.00 174.94 175.81 1nee s ILE 113 N -1.02 0.01 -0.03 2.92 -4.36 -1.26 -5.00 121.20 112.45 1nee s ILE 113 Ca 0.18 0.06 0.01 0.00 -0.26 0.00 0.00 60.65 60.64 1nee s ILE 113 Cb -0.11 -0.06 0.02 0.00 1.25 0.00 0.00 42.46 43.55 1nee s ILE 113 CO 0.08 0.04 -0.05 0.00 0.24 0.00 0.00 174.94 175.26 1nee s ARG 114 N 0.38 0.68 -0.02 0.37 3.03 -1.26 -1.88 118.95 120.25 1nee s ARG 114 Ca -0.03 -0.12 0.05 0.00 2.03 0.00 0.00 55.73 57.65 1nee s ARG 114 Cb -0.05 -0.70 -0.01 0.00 -1.03 0.00 0.00 34.95 33.17 1nee s ARG 114 CO -0.01 -0.02 -0.16 -1.21 -1.13 0.00 0.00 175.30 172.77 1nee s GLU 115 N 0.61 1.33 0.00 3.89 2.02 -0.81 -4.79 118.70 120.96 1nee s GLU 115 Ca -0.08 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1nee s GLU 115 Cb -0.11 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 32.86 1nee s GLU 115 CO -0.00 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1nee n GLY 116 N 2.79 1.32 3.27 -1.39 0.00 -1.26 -1.67 105.19 108.25 1nee n GLY 116 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -1.47 -1.79 -2.62 1.61 3.00 -1.26 -3.84 116.66 110.29 1nee n ARG 117 Ca 0.00 1.01 -0.09 0.00 -0.01 0.00 0.00 57.85 58.76 1nee n ARG 117 Cb 0.00 -5.46 0.04 0.00 0.00 0.00 0.00 32.46 27.05 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1nee n ILE 118 N -2.86 -4.93 0.00 0.55 5.41 -1.26 -4.97 119.36 111.30 1nee n ILE 118 Ca -0.06 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1nee n ILE 118 Cb 0.58 -4.65 0.00 0.00 -0.71 0.00 0.00 39.64 34.86 1nee n ILE 118 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1nee n SER 119 N -2.40 0.81 -4.32 4.38 2.88 -1.25 -4.87 113.62 108.85 1nee n SER 119 Ca -0.08 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 1nee n SER 119 Cb 0.58 0.01 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nee s LEU 120 N -3.18 2.53 -0.24 2.46 1.43 -0.67 -4.90 118.68 116.11 1nee s LEU 120 Ca 0.00 -0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 51.76 1nee s LEU 120 Cb 0.00 -0.62 0.16 0.00 0.03 0.00 0.00 46.19 45.75 1nee s LEU 120 CO 0.00 -0.18 1.29 -0.22 0.23 0.00 0.00 176.35 177.47 1nee s LEU 121 N -3.19 -0.08 0.05 1.79 0.20 -0.88 -1.92 118.68 114.65 1nee s LEU 121 Ca 0.20 0.03 0.07 0.00 0.69 0.00 0.00 54.13 55.12 1nee s LEU 121 Cb -0.01 1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 46.94 1nee s LEU 121 CO 0.06 -0.12 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.09 1nee s LYS 122 N -1.88 2.14 -0.34 1.98 2.20 -0.79 -2.46 119.74 120.59 1nee s LYS 122 Ca 0.09 -0.95 0.15 0.00 -0.36 0.00 0.00 55.97 54.90 1nee s LYS 122 Cb -0.01 -2.25 0.41 0.00 -1.51 0.00 0.00 37.83 34.47 1nee s LYS 122 CO -0.04 0.54 0.85 0.00 -0.36 0.00 0.00 175.35 176.34 1nee h GLU 124 N 3.00 0.00 0.00 0.00 4.81 -1.89 -2.09 114.58 118.41 1nee h GLU 124 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nee h GLU 124 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1nee h GLU 124 CO 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 1nee n ALA 125 N -2.58 -0.01 -0.87 2.92 0.00 -1.26 -4.25 120.51 114.46 1nee n ALA 125 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 1nee n ALA 125 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 3.56 0.86 3.32 0.00 0.00 -1.16 -4.89 105.19 106.88 1nee n GLY 127 Ca 0.51 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -2.00 -1.02 0.03 4.61 0.00 -0.80 -3.99 121.76 118.59 1nee s ALA 128 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1nee s ALA 128 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1nee s ALA 128 CO 0.00 -0.35 0.28 0.21 0.00 0.00 0.00 175.76 175.89 1nee s LYS 129 N -1.76 0.74 -0.46 0.00 2.47 -1.26 -4.60 119.74 114.86 1nee s LYS 129 Ca -0.10 -0.44 -0.26 0.00 -1.56 0.00 0.00 55.97 53.61 1nee s LYS 129 Cb -0.03 0.32 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1nee s LYS 129 CO 0.03 -0.22 0.98 0.00 0.16 0.00 0.00 175.35 176.29 1nee s ALA 130 N -2.18 3.22 -0.03 3.13 0.00 -1.03 -4.26 121.76 120.61 1nee s ALA 130 Ca -0.08 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 1nee s ALA 130 Cb -0.02 -3.71 -0.16 0.00 0.00 0.00 0.00 23.12 19.24 1nee s ALA 130 CO -0.01 -2.10 0.99 -1.00 0.00 0.00 0.00 175.76 173.64 1nee h PRO 131 N 9.11 -0.29 0.00 0.00 0.13 -1.93 -2.33 132.00 136.69 1nee h PRO 131 Ca -0.24 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nee h PRO 131 Cb 1.07 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nee h PRO 131 CO 1.05 0.08 0.00 -0.11 -0.23 0.00 0.00 178.00 178.80 1nee n LEU 132 N -5.01 0.00 -2.43 1.56 0.00 -1.26 -3.99 117.00 105.87 1nee n LEU 132 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.80 1nee n LEU 132 Cb 0.26 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.71 1nee n LEU 132 CO 0.27 0.00 0.08 0.29 0.00 0.00 0.00 177.39 178.03 1nee n LYS 133 N 0.00 2.67 -2.44 1.96 5.02 -1.26 -5.08 118.16 119.03 1nee n LYS 133 Ca 0.00 -3.86 -0.41 0.00 -2.02 0.00 0.00 58.31 52.02 1nee n LYS 133 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.04 1nee n LYS 133 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nee s ASN 134 N -3.66 7.15 0.00 4.39 4.22 -1.26 -5.20 114.94 120.58 1nee s ASN 134 Ca 0.39 2.11 0.31 0.00 -2.14 0.00 0.00 52.86 53.53 1nee s ASN 134 Cb 0.37 -2.60 1.88 0.00 1.28 0.00 0.00 41.25 42.19 1nee s ASN 134 CO -0.01 -0.35 2.20 0.55 -2.04 0.00 0.00 177.10 177.45