#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee s ASP 2 N 0.00 -0.60 0.00 7.83 1.11 -1.26 -5.08 116.67 118.67 1nee s ASP 2 Ca 0.00 0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.90 1nee s ASP 2 Cb 0.00 1.60 0.00 0.00 1.07 0.00 0.00 42.92 45.59 1nee s ASP 2 CO 0.00 -0.31 0.45 -0.67 1.18 0.00 0.00 175.17 175.82 1nee n ASP 3 N 5.39 0.00 0.00 0.27 -0.08 -1.26 -4.97 116.55 115.90 1nee n ASP 3 Ca 0.01 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.94 1nee n ASP 3 Cb 0.51 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.57 1nee n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nee n TYR 4 N -1.70 0.00 0.06 -0.67 9.36 -1.26 -5.03 117.16 117.92 1nee n TYR 4 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 1nee n TYR 4 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 1nee n TYR 4 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nee h GLU 5 N 0.00 -0.17 -5.61 2.98 3.07 -2.02 -3.42 114.58 109.41 1nee h GLU 5 Ca 0.00 0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.26 1nee h GLU 5 Cb 0.00 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.83 1nee h GLU 5 CO 0.00 -0.11 0.25 0.21 -1.40 0.00 0.00 179.01 177.96 1nee s LYS 6 N -2.68 3.88 -0.29 2.33 2.20 -1.26 -5.00 119.74 118.92 1nee s LYS 6 Ca -0.03 0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 55.69 1nee s LYS 6 Cb 0.00 -3.74 0.17 0.00 -1.51 0.00 0.00 37.83 32.75 1nee s LYS 6 CO 0.08 -0.65 1.33 -0.48 -0.36 0.00 0.00 175.35 175.26 1nee s LEU 7 N 2.78 -0.15 -0.90 5.43 0.05 -1.26 -4.81 118.68 119.83 1nee s LEU 7 Ca 0.28 0.26 0.00 0.00 0.05 0.00 0.00 54.13 54.72 1nee s LEU 7 Cb -0.14 1.29 0.29 0.00 -2.05 0.00 0.00 46.19 45.58 1nee s LEU 7 CO 0.13 -0.06 1.21 0.18 -0.55 0.00 0.00 176.35 177.25 1nee n LEU 8 N 1.54 5.42 -0.36 1.48 4.32 -1.26 -4.67 117.00 123.46 1nee n LEU 8 Ca -0.09 -5.33 0.06 0.00 -0.02 0.00 0.00 56.01 50.63 1nee n LEU 8 Cb 0.57 -1.02 0.10 0.00 -1.62 0.00 0.00 43.42 41.45 1nee n LEU 8 CO 0.03 1.87 0.41 -0.62 -1.22 0.00 0.00 177.39 177.86 1nee n GLU 9 N 1.03 0.85 -2.22 3.23 1.02 -1.26 -4.81 120.64 118.48 1nee n GLU 9 Ca 0.29 -2.17 -0.36 0.00 -0.02 0.00 0.00 57.16 54.90 1nee n GLU 9 Cb 0.36 -1.12 0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1nee n GLU 9 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nee n ARG 10 N -0.84 3.26 0.00 3.49 3.00 -1.26 -4.31 116.66 119.99 1nee n ARG 10 Ca 0.11 -4.01 0.00 0.00 -0.00 0.00 0.00 57.85 53.95 1nee n ARG 10 Cb 0.70 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.88 1nee n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 11 N -0.46 0.00 -1.60 5.13 0.00 -1.26 -4.52 120.51 117.80 1nee n ALA 11 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 1nee n ALA 11 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 2.92 0.00 0.00 -6.64 -1.26 -4.33 119.36 110.05 1nee n ILE 12 Ca 0.00 -3.26 0.00 0.00 -1.77 0.00 0.00 62.75 57.72 1nee n ILE 12 Cb 0.00 -0.86 0.00 0.00 -1.44 0.00 0.00 39.64 37.34 1nee n ILE 12 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1nee n ASP 13 N -0.92 0.00 -0.07 7.28 8.00 -1.26 -5.00 116.55 124.58 1nee n ASP 13 Ca 0.48 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.79 1nee n ASP 13 Cb 0.94 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.91 1nee n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nee n GLN 14 N -0.25 0.70 -1.40 -1.24 6.02 -1.26 -4.96 117.38 114.99 1nee n GLN 14 Ca 0.00 0.19 -0.36 0.00 -0.01 0.00 0.00 57.00 56.82 1nee n GLN 14 Cb 0.00 -1.61 0.07 0.00 1.02 0.00 0.00 30.24 29.72 1nee n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1nee n LEU 15 N -3.32 2.56 -4.47 1.08 7.99 -1.26 -4.78 117.00 114.80 1nee n LEU 15 Ca -0.39 0.68 -0.50 0.00 -0.01 0.00 0.00 56.01 55.80 1nee n LEU 15 Cb 1.02 -1.33 -0.06 0.00 -0.11 0.00 0.00 43.42 42.94 1nee n LEU 15 CO 0.34 -2.40 1.80 -0.81 -1.51 0.00 0.00 177.39 174.82 1nee n PRO 16 N -1.19 1.22 0.00 3.23 -0.04 -1.26 -4.59 135.00 132.37 1nee n PRO 16 Ca 0.12 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1nee n PRO 16 Cb 0.49 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N 8.23 0.00 0.00 0.54 -0.04 -1.26 -4.71 135.00 137.76 1nee n PRO 17 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1nee n PRO 17 Cb 0.26 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1nee n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nee n GLU 18 N -0.09 0.00 -3.07 0.54 0.00 -1.26 -4.68 120.64 112.08 1nee n GLU 18 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1nee n GLU 18 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 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 4.79 -0.53 6.31 1.01 -1.26 -5.00 120.40 125.71 1nee s VAL 19 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1nee s VAL 19 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1nee s VAL 19 CO 0.00 -0.62 1.72 -0.36 0.00 0.00 0.00 175.10 175.84 1nee s PHE 20 N 2.93 1.87 -0.06 5.22 0.08 -1.26 -4.96 117.98 121.79 1nee s PHE 20 Ca 0.24 0.66 -0.00 0.00 0.12 0.00 0.00 56.93 57.96 1nee s PHE 20 Cb -0.14 -4.18 0.02 0.00 -0.57 0.00 0.00 43.02 38.16 1nee s PHE 20 CO 0.20 -2.38 -0.03 -1.83 -0.10 0.00 0.00 175.22 171.08 1nee s GLU 21 N 6.28 0.84 1.16 0.44 4.04 -1.26 -5.15 118.70 125.05 1nee s GLU 21 Ca 0.66 -0.05 -0.19 0.00 0.04 0.00 0.00 54.97 55.43 1nee s GLU 21 Cb -0.15 -0.99 0.28 0.00 0.02 0.00 0.00 34.13 33.29 1nee s GLU 21 CO 0.25 -0.19 1.20 -0.08 -1.84 0.00 0.00 175.26 174.60 1nee s THR 22 N 1.42 1.68 0.41 1.83 -1.32 -1.26 -4.92 115.64 113.47 1nee s THR 22 Ca -0.03 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1nee s THR 22 Cb -0.13 -2.67 -0.08 0.00 -1.51 0.00 0.00 72.50 68.11 1nee s THR 22 CO -0.03 0.00 1.21 -0.54 -2.21 0.00 0.00 174.62 173.06 1nee s LYS 23 N -5.66 3.98 -0.56 7.08 -0.14 -1.26 -4.93 119.74 118.26 1nee s LYS 23 Ca 0.74 1.94 -0.03 0.00 -1.36 0.00 0.00 55.97 57.26 1nee s LYS 23 Cb -0.06 -2.68 0.16 0.00 -1.68 0.00 0.00 37.83 33.57 1nee s LYS 23 CO 0.55 -0.41 2.52 -2.13 -0.76 0.00 0.00 175.35 175.12 1nee n ARG 24 N 0.03 2.47 -2.83 1.68 3.00 -1.26 -4.93 116.66 114.82 1nee n ARG 24 Ca 0.04 -2.64 -0.43 0.00 -0.00 0.00 0.00 57.85 54.82 1nee n ARG 24 Cb 0.46 -2.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.72 1nee n ARG 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1nee s PHE 25 N -2.40 2.85 0.00 -0.14 2.19 -1.26 -5.01 117.98 114.21 1nee s PHE 25 Ca 0.56 0.17 0.02 0.00 0.33 0.00 0.00 56.93 58.01 1nee s PHE 25 Cb 0.40 -4.02 -0.01 0.00 -1.31 0.00 0.00 43.02 38.08 1nee s PHE 25 CO -0.26 -1.23 -0.05 -2.00 1.83 0.00 0.00 175.22 173.50 1nee s GLU 26 N 3.86 0.43 -0.22 10.12 2.12 -1.26 -4.10 118.70 129.64 1nee s GLU 26 Ca 0.33 -0.26 -0.21 0.00 0.36 0.00 0.00 54.97 55.19 1nee s GLU 26 Cb -0.11 -0.39 0.06 0.00 0.26 0.00 0.00 34.13 33.95 1nee s GLU 26 CO 0.23 0.10 0.61 0.08 -0.54 0.00 0.00 175.26 175.73 1nee s VAL 27 N -0.29 0.00 0.00 3.70 1.01 -1.26 -5.00 120.40 118.56 1nee s VAL 27 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1nee s VAL 27 Cb -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1nee s VAL 27 CO -0.00 -0.00 0.96 -2.65 0.00 0.00 0.00 175.10 173.41 1nee n PRO 28 N 2.72 0.00 -2.36 2.72 -0.02 -1.26 -4.16 135.00 132.64 1nee n PRO 28 Ca -0.14 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 1nee n PRO 28 Cb 0.56 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 1nee n PRO 28 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1nee s LYS 29 N -2.85 3.03 -0.06 -0.52 3.01 -1.26 -4.95 119.74 116.14 1nee s LYS 29 Ca 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 55.97 54.83 1nee s LYS 29 Cb 0.00 -4.48 0.03 0.00 -1.01 0.00 0.00 37.83 32.36 1nee s LYS 29 CO 0.00 -2.43 -0.02 0.00 0.51 0.00 0.00 175.35 173.41 1nee s ALA 30 N 6.97 0.69 -0.30 5.17 0.00 -1.26 -5.11 121.76 127.92 1nee s ALA 30 Ca 0.49 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 1nee s ALA 30 Cb -0.08 -0.61 0.20 0.00 0.00 0.00 0.00 23.12 22.63 1nee s ALA 30 CO 0.12 -0.27 1.48 1.52 0.00 0.00 0.00 175.76 178.61 1nee s TYR 31 N 1.51 -0.02 1.05 0.00 1.13 -1.26 -4.97 117.35 114.79 1nee s TYR 31 Ca -0.02 0.05 -0.13 0.00 -1.41 0.00 0.00 57.07 55.56 1nee s TYR 31 Cb -0.13 0.49 0.22 0.00 -1.10 0.00 0.00 41.96 41.44 1nee s TYR 31 CO -0.03 -0.01 1.08 0.45 -2.51 0.00 0.00 175.55 174.53 1nee s SER 32 N -0.01 2.16 0.08 -0.18 0.15 -1.26 -4.89 113.70 109.76 1nee s SER 32 Ca 0.08 1.15 0.07 0.00 0.70 0.00 0.00 55.95 57.95 1nee s SER 32 Cb -0.05 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1nee s SER 32 CO -0.16 -3.42 -0.19 0.68 1.20 0.00 0.00 173.24 171.35 1nee s VAL 33 N -2.90 1.55 0.34 4.45 -7.23 -1.24 -4.80 120.40 110.56 1nee s VAL 33 Ca 0.66 -1.38 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 1nee s VAL 33 Cb -0.19 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1nee s VAL 33 CO 0.58 -0.02 0.17 -0.63 -0.31 0.00 0.00 175.10 174.89 1nee s ILE 34 N -1.07 3.14 -0.30 -0.62 -1.09 -1.26 0.60 121.20 120.59 1nee s ILE 34 Ca 0.05 -1.63 -0.19 0.00 -2.23 0.00 0.00 60.65 56.65 1nee s ILE 34 Cb -0.10 -3.02 0.19 0.00 -1.58 0.00 0.00 42.46 37.95 1nee s ILE 34 CO 0.03 -0.18 1.25 -1.10 -1.23 0.00 0.00 174.94 173.71 1nee s GLN 35 N -3.88 0.05 0.00 2.79 -0.21 -0.91 -4.89 119.66 112.60 1nee s GLN 35 Ca 0.38 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1nee s GLN 35 Cb -0.03 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.04 1nee s GLN 35 CO 0.23 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1nee n GLY 36 N 4.87 0.70 0.60 3.09 0.00 -1.26 -1.98 105.19 111.21 1nee n GLY 36 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1nee n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nee n ASN 37 N 1.76 -0.33 -4.07 1.61 0.23 -1.26 -5.15 115.26 108.03 1nee n ASN 37 Ca 0.00 -0.76 -0.07 0.00 -0.53 0.00 0.00 54.58 53.21 1nee n ASN 37 Cb 0.00 0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 37.70 1nee n ASN 37 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1nee s ARG 38 N 0.00 0.57 -0.22 -3.83 3.00 -0.84 -3.53 118.95 114.11 1nee s ARG 38 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 55.73 54.54 1nee s ARG 38 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 35.10 1nee s ARG 38 CO 0.00 -0.10 0.04 0.99 0.00 0.00 0.00 175.30 176.23 1nee s THR 39 N -3.50 4.26 -1.19 0.02 2.01 0.42 -2.15 115.64 115.50 1nee s THR 39 Ca 0.03 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1nee s THR 39 Cb 0.05 -2.95 0.21 0.00 0.01 0.00 0.00 72.50 69.82 1nee s THR 39 CO -0.08 0.39 1.45 0.49 -0.69 0.00 0.00 174.62 176.18 1nee n PHE 40 N 4.41 4.37 -1.82 4.92 3.01 0.20 -0.45 117.46 132.10 1nee n PHE 40 Ca -0.17 -3.31 -0.42 0.00 1.01 0.00 0.00 57.45 54.57 1nee n PHE 40 Cb 0.52 -1.92 -0.03 0.00 -0.01 0.00 0.00 39.48 38.04 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 0.13 2.45 0.00 4.37 1.09 -0.52 -3.69 121.20 125.03 1nee s ILE 41 Ca 0.38 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 1nee s ILE 41 Cb -0.01 -3.15 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1nee s ILE 41 CO -0.01 0.01 0.00 0.00 -0.10 0.00 0.00 174.94 174.85 1nee n GLN 42 N 4.51 0.00 -1.63 2.79 10.64 -1.26 -2.22 117.38 130.21 1nee n GLN 42 Ca 0.16 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.95 1nee n GLN 42 Cb 0.38 -0.87 0.06 0.00 -0.86 0.00 0.00 30.24 28.94 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 -2.52 7.61 -0.11 2.61 3.02 -1.26 -4.73 115.26 119.88 1nee n ASN 43 Ca 0.00 -3.81 0.27 0.00 -0.03 0.00 0.00 54.58 51.01 1nee n ASN 43 Cb 0.46 -1.03 0.62 0.00 -0.61 0.00 0.00 39.78 39.22 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1nee h PHE 44 N 2.52 0.00 0.00 3.10 -5.15 -1.96 1.81 116.94 117.26 1nee h PHE 44 Ca 0.59 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.33 1nee h PHE 44 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.57 1nee h PHE 44 CO 1.30 0.00 -0.19 -0.09 -2.00 0.00 0.00 178.31 177.33 1nee h ARG 45 N 0.00 0.00 -0.22 6.09 1.12 -1.94 -2.26 114.38 117.17 1nee h ARG 45 Ca 0.39 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 59.11 1nee h ARG 45 Cb 2.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.07 1nee h ARG 45 CO -0.00 0.63 -0.45 1.49 -3.11 0.00 0.00 179.97 178.53 1nee h GLU 46 N -1.00 0.69 -0.56 0.20 4.22 -1.18 -2.31 114.58 114.63 1nee h GLU 46 Ca -0.04 -0.45 -0.09 0.00 0.08 0.00 0.00 59.36 58.86 1nee h GLU 46 Cb 0.70 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1nee h GLU 46 CO -0.03 1.07 0.01 0.28 -2.18 0.00 0.00 179.01 178.16 1nee h VAL 47 N 0.40 1.26 -0.01 0.32 2.07 0.25 -2.67 116.25 117.87 1nee h VAL 47 Ca 0.01 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1nee h VAL 47 Cb 1.05 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1nee h VAL 47 CO 0.10 0.40 -0.35 0.00 0.02 0.00 0.00 177.57 177.74 1nee h ALA 48 N 0.97 1.40 0.16 1.67 0.00 -1.39 -1.47 119.26 120.60 1nee h ALA 48 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nee h ALA 48 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nee h ALA 48 CO 0.03 0.45 -0.08 0.22 0.00 0.00 0.00 179.25 179.87 1nee h ASP 49 N 0.02 -0.19 -0.96 0.00 3.58 -1.14 -0.70 116.42 117.03 1nee h ASP 49 Ca 0.00 0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.59 1nee h ASP 49 Cb 0.63 0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.64 1nee h ASP 49 CO 0.05 -0.07 0.58 0.00 -2.88 0.00 0.00 179.24 176.92 1nee h ALA 50 N -1.76 1.47 0.00 -0.78 0.00 -1.55 0.26 119.26 116.89 1nee h ALA 50 Ca -0.02 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1nee h ALA 50 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1nee h ALA 50 CO 0.04 0.13 -0.51 1.25 0.00 0.00 0.00 179.25 180.15 1nee h LEU 51 N 0.89 0.00 -5.87 0.00 5.85 -1.36 -3.35 115.31 111.46 1nee h LEU 51 Ca 0.49 0.00 0.23 0.00 0.84 0.00 0.00 57.88 59.45 1nee h LEU 51 Cb 0.56 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.41 1nee h LEU 51 CO -0.29 0.51 0.03 0.20 -0.34 0.00 0.00 178.44 178.55 1nee s ASN 52 N -6.70 -0.21 0.00 1.25 0.01 0.03 -4.76 114.94 104.56 1nee s ASN 52 Ca -0.01 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1nee s ASN 52 Cb 0.12 1.00 0.00 0.00 0.41 0.00 0.00 41.25 42.78 1nee s ASN 52 CO 0.73 -0.04 0.37 -1.14 -1.51 0.00 0.00 177.10 175.51 1nee n ARG 53 N 4.84 0.00 -2.55 -0.60 0.00 0.68 -4.17 116.66 114.87 1nee n ARG 53 Ca 0.09 0.37 -0.38 0.00 -0.00 0.00 0.00 57.85 57.93 1nee n ARG 53 Cb 0.59 -0.58 -0.04 0.00 0.00 0.00 0.00 32.46 32.43 1nee n ARG 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1nee s ASP 54 N -2.58 7.05 0.00 6.15 1.11 -1.26 -4.52 116.67 122.62 1nee s ASP 54 Ca 0.00 2.11 0.21 0.00 0.18 0.00 0.00 52.55 55.04 1nee s ASP 54 Cb 0.00 -2.60 1.06 0.00 1.07 0.00 0.00 42.92 42.45 1nee s ASP 54 CO 0.00 -0.29 1.65 -0.81 1.18 0.00 0.00 175.17 176.90 1nee n PRO 55 N 0.55 0.34 -0.12 8.23 -0.04 -1.26 -3.50 135.00 139.19 1nee n PRO 55 Ca 0.02 0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1nee n PRO 55 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1nee n PRO 55 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1nee h GLN 56 N 0.00 0.58 0.16 0.54 7.50 -1.92 -2.13 115.11 119.85 1nee h GLN 56 Ca 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 1nee h GLN 56 Cb 0.17 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.62 1nee h GLN 56 CO 0.00 0.61 -0.08 1.12 -1.50 0.00 0.00 178.83 178.98 1nee h HIS 57 N 0.45 -0.20 -0.92 2.96 2.07 -1.91 -2.76 115.15 114.84 1nee h HIS 57 Ca 0.12 -0.00 0.26 0.00 -2.85 0.00 0.00 60.37 57.90 1nee h HIS 57 Cb 0.28 0.06 -0.16 0.00 2.57 0.00 0.00 27.41 30.17 1nee h HIS 57 CO 0.01 0.00 0.18 1.25 -3.07 0.00 0.00 177.93 176.31 1nee h LEU 58 N -1.03 -0.16 0.31 6.12 6.46 -1.69 0.28 115.31 125.60 1nee h LEU 58 Ca -0.02 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1nee h LEU 58 Cb 0.29 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1nee h LEU 58 CO 0.04 -0.26 -0.15 0.25 -0.62 0.00 0.00 178.44 177.70 1nee h LEU 59 N 0.11 -0.35 -0.81 2.25 5.85 -1.49 0.20 115.31 121.07 1nee h LEU 59 Ca 0.59 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.31 1nee h LEU 59 Cb 1.25 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1nee h LEU 59 CO -0.76 -0.10 0.45 0.11 -0.34 0.00 0.00 178.44 177.79 1nee h LYS 60 N -0.60 0.73 -0.24 1.25 1.57 -0.58 -0.96 116.57 117.73 1nee h LYS 60 Ca -0.04 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1nee h LYS 60 Cb 0.44 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1nee h LYS 60 CO 0.07 0.48 -0.37 0.74 -0.57 0.00 0.00 179.45 179.80 1nee h PHE 61 N 0.75 0.65 0.44 -1.35 0.04 -0.43 -0.19 116.94 116.84 1nee h PHE 61 Ca 0.40 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1nee h PHE 61 Cb 0.39 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1nee h PHE 61 CO -0.07 0.85 -0.29 1.25 -0.60 0.00 0.00 178.31 179.45 1nee h LEU 62 N 0.46 -0.73 -1.62 1.54 5.85 0.76 -2.11 115.31 119.45 1nee h LEU 62 Ca 0.05 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1nee h LEU 62 Cb 0.86 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1nee h LEU 62 CO 0.07 -0.43 -0.20 0.25 -0.34 0.00 0.00 178.44 177.79 1nee h LEU 63 N -0.69 0.00 0.25 2.25 6.46 -1.48 0.22 115.31 122.32 1nee h LEU 63 Ca -0.06 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1nee h LEU 63 Cb 0.56 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1nee h LEU 63 CO 0.05 0.20 -0.20 -0.09 -0.62 0.00 0.00 178.44 177.78 1nee h ARG 64 N 0.00 -0.45 0.03 1.25 9.65 -0.75 -3.16 114.38 120.95 1nee h ARG 64 Ca -0.00 0.03 -0.26 0.00 -1.10 0.00 0.00 59.98 58.65 1nee h ARG 64 Cb 0.47 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1nee h ARG 64 CO 0.03 -0.30 -1.37 0.93 2.80 0.00 0.00 179.97 182.06 1nee h GLU 65 N -0.47 0.06 -5.48 0.20 5.08 -1.32 -3.44 114.58 109.22 1nee h GLU 65 Ca -0.01 -0.11 -0.38 0.00 -1.00 0.00 0.00 59.36 57.85 1nee h GLU 65 Cb 0.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1nee h GLU 65 CO -0.02 0.86 1.39 1.28 -1.00 0.00 0.00 179.01 181.52 1nee n LEU 66 N -3.28 1.92 0.00 1.33 4.32 0.06 -4.20 117.00 117.15 1nee n LEU 66 Ca -0.10 -0.61 0.13 0.00 -0.02 0.00 0.00 56.01 55.41 1nee n LEU 66 Cb 1.00 -1.50 0.73 0.00 -1.62 0.00 0.00 43.42 42.03 1nee n LEU 66 CO 0.47 -1.67 0.96 0.61 -1.22 0.00 0.00 177.39 176.54 1nee n GLY 67 N 6.19 -1.02 3.74 -0.72 0.00 -1.26 -4.80 105.19 107.31 1nee n GLY 67 Ca 0.43 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.31 2.54 0.01 2.61 -4.23 -1.26 -5.02 115.64 107.98 1nee s THR 68 Ca 0.32 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1nee s THR 68 Cb 0.18 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 1nee s THR 68 CO 0.36 -0.07 0.88 0.00 -0.54 0.00 0.00 174.62 175.26 1nee n ALA 69 N -1.21 -0.04 -0.31 3.99 0.00 -1.26 -4.75 120.51 116.92 1nee n ALA 69 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1nee n ALA 69 Cb 0.63 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.02 -0.39 3.81 0.00 0.00 -1.24 -4.98 105.19 101.37 1nee n GLY 70 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N 0.00 -0.15 -0.36 1.61 -0.87 -1.26 -4.90 114.94 109.01 1nee s ASN 71 Ca 0.00 -0.59 -0.21 0.00 -1.57 0.00 0.00 52.86 50.50 1nee s ASN 71 Cb 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.83 1nee s ASN 71 CO 0.00 -1.13 0.64 -0.76 -2.57 0.00 0.00 177.10 173.28 1nee s LEU 72 N -3.02 4.26 0.16 0.60 2.01 -1.26 -1.97 118.68 119.46 1nee s LEU 72 Ca 0.14 0.14 0.04 0.00 0.01 0.00 0.00 54.13 54.46 1nee s LEU 72 Cb -0.03 -2.80 -0.04 0.00 0.01 0.00 0.00 46.19 43.33 1nee s LEU 72 CO 0.05 -0.61 0.17 -0.70 1.01 0.00 0.00 176.35 176.27 1nee s GLU 73 N 2.73 3.03 0.67 1.70 -6.30 -0.38 -4.70 118.70 115.45 1nee s GLU 73 Ca 0.25 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 51.92 1nee s GLU 73 Cb -0.14 -2.73 0.00 0.00 0.00 0.00 0.00 34.13 31.26 1nee s GLU 73 CO 0.15 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1nee n GLY 74 N -0.35 -1.31 0.39 -1.50 0.00 -1.26 -2.39 105.19 98.77 1nee n GLY 74 Ca -0.08 -0.90 0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.78 0.93 0.00 -0.02 0.00 -2.02 -3.42 103.07 97.75 1nee h GLY 75 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1nee h GLY 75 CO 0.01 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.11 1nee n ARG 76 N -4.52 1.60 -3.13 4.80 5.12 -1.24 -5.01 116.66 114.27 1nee n ARG 76 Ca 0.18 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.72 1nee n ARG 76 Cb 0.61 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.89 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nee n ALA 77 N -3.00 4.84 -2.71 7.54 0.00 -0.94 -3.92 120.51 122.32 1nee n ALA 77 Ca 0.00 -4.80 -0.42 0.00 0.00 0.00 0.00 53.44 48.22 1nee n ALA 77 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -2.74 4.17 0.66 0.00 1.01 -1.00 -1.43 121.20 121.86 1nee s ILE 78 Ca 0.34 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1nee s ILE 78 Cb 0.09 -4.89 0.12 0.00 0.01 0.00 0.00 42.46 37.78 1nee s ILE 78 CO 0.07 -1.73 0.90 -1.48 0.00 0.00 0.00 174.94 172.71 1nee s LEU 79 N 4.35 2.99 0.01 2.97 0.05 0.41 -1.25 118.68 128.21 1nee s LEU 79 Ca 0.36 -0.74 0.01 0.00 0.05 0.00 0.00 54.13 53.81 1nee s LEU 79 Cb -0.06 -1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 42.48 1nee s LEU 79 CO -0.02 -1.65 -0.03 -1.58 -0.55 0.00 0.00 176.35 172.53 1nee s GLN 80 N -4.90 0.21 0.00 1.48 0.74 -1.26 -0.44 119.66 115.49 1nee s GLN 80 Ca 0.65 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1nee s GLN 80 Cb -0.05 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.95 1nee s GLN 80 CO 0.42 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.60 1nee n GLY 81 N 2.64 -1.15 0.35 2.59 0.00 -1.23 -3.62 105.19 104.78 1nee n GLY 81 Ca -0.15 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 0.00 -1.05 1.61 3.00 -1.26 -4.40 118.16 116.06 1nee n LYS 82 Ca 0.00 -0.26 -0.14 0.00 -0.00 0.00 0.00 58.31 57.91 1nee n LYS 82 Cb 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 35.03 34.72 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1nee n PHE 83 N 0.00 0.22 -2.04 5.64 3.01 -1.26 -4.71 117.46 118.32 1nee n PHE 83 Ca 0.00 -1.61 -0.42 0.00 1.01 0.00 0.00 57.45 56.43 1nee n PHE 83 Cb 0.54 -1.63 -0.00 0.00 -0.01 0.00 0.00 39.48 38.38 1nee n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1nee n THR 84 N 2.46 3.52 -3.97 4.37 -1.04 -1.26 -4.41 114.28 113.94 1nee n THR 84 Ca 0.45 -3.33 -0.31 0.00 -2.04 0.00 0.00 64.05 58.82 1nee n THR 84 Cb 0.86 -2.48 -0.06 0.00 -1.82 0.00 0.00 70.33 66.83 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nee n HIS 85 N 7.32 -1.41 0.00 -1.42 1.44 -1.26 -4.82 115.22 115.07 1nee n HIS 85 Ca 0.50 0.51 0.00 0.00 -2.01 0.00 0.00 57.72 56.72 1nee n HIS 85 Cb 0.42 -1.69 0.00 0.00 0.12 0.00 0.00 29.99 28.84 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 -3.65 0.00 -0.06 -1.40 3.72 -1.26 -4.08 117.46 110.72 1nee n PHE 86 Ca 0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1nee n PHE 86 Cb 0.47 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nee h LEU 87 N 0.00 0.61 0.75 4.37 3.38 -1.89 -2.37 115.31 120.17 1nee h LEU 87 Ca 0.00 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1nee h LEU 87 Cb 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1nee h LEU 87 CO 0.00 1.03 -0.36 0.40 0.09 0.00 0.00 178.44 179.60 1nee h ILE 88 N 0.22 0.00 -0.71 1.22 2.04 -1.91 0.12 117.51 118.49 1nee h ILE 88 Ca 0.01 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1nee h ILE 88 Cb 0.91 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1nee h ILE 88 CO 0.07 0.00 0.31 -1.13 0.00 0.00 0.00 178.15 177.40 1nee h ASN 89 N -1.01 0.34 -0.36 1.72 -0.73 -1.71 0.11 115.58 113.94 1nee h ASN 89 Ca -0.10 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 1nee h ASN 89 Cb 0.77 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 1nee h ASN 89 CO 0.17 0.17 0.07 -0.08 -0.37 0.00 0.00 177.43 177.40 1nee h GLU 90 N 0.50 0.58 -0.04 6.67 4.22 -1.38 -1.63 114.58 123.50 1nee h GLU 90 Ca 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 1nee h GLU 90 Cb 0.48 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nee h GLU 90 CO -0.33 0.63 0.01 0.00 -2.18 0.00 0.00 179.01 177.14 1nee h ARG 91 N 0.43 0.06 0.35 1.92 2.47 0.01 0.16 114.38 119.76 1nee h ARG 91 Ca 0.11 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1nee h ARG 91 Cb 0.32 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1nee h ARG 91 CO 0.00 0.21 -0.34 0.82 0.56 0.00 0.00 179.97 181.22 1nee h ILE 92 N -0.11 0.29 0.00 2.04 2.04 -0.79 -1.73 117.51 119.25 1nee h ILE 92 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1nee h ILE 92 Cb 0.18 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1nee h ILE 92 CO -0.00 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.74 1nee h GLU 93 N -0.72 0.00 0.52 2.37 5.08 -1.30 0.15 114.58 120.68 1nee h GLU 93 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1nee h GLU 93 Cb 0.65 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1nee h GLU 93 CO -0.06 0.07 -0.25 0.22 -1.00 0.00 0.00 179.01 178.00 1nee h ASP 94 N 0.00 -0.59 0.00 1.42 3.58 0.22 -1.49 116.42 119.57 1nee h ASP 94 Ca -0.00 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 1nee h ASP 94 Cb 0.24 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1nee h ASP 94 CO 0.01 -0.32 -0.50 1.88 -2.88 0.00 0.00 179.24 177.43 1nee h TYR 95 N -0.83 0.00 -0.66 0.28 0.05 -1.35 -2.87 116.97 111.59 1nee h TYR 95 Ca -0.07 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.84 1nee h TYR 95 Cb 0.59 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.24 1nee h TYR 95 CO -0.01 0.53 0.19 0.28 -1.05 0.00 0.00 178.16 178.10 1nee h VAL 96 N -1.00 0.63 -1.66 -2.88 2.07 -0.86 -2.13 116.25 110.42 1nee h VAL 96 Ca -0.09 -0.11 -0.66 0.00 0.82 0.00 0.00 66.70 66.66 1nee h VAL 96 Cb 0.66 0.28 -0.36 0.00 -1.52 0.00 0.00 31.29 30.36 1nee h VAL 96 CO -0.05 0.06 0.05 -3.20 0.02 0.00 0.00 177.57 174.45 1nee n ASN 97 N -5.09 5.97 0.07 0.57 5.15 -0.56 -4.69 115.26 116.68 1nee n ASN 97 Ca 0.11 -3.77 0.13 0.00 -0.60 0.00 0.00 54.58 50.45 1nee n ASN 97 Cb 0.36 -0.72 0.40 0.00 -0.53 0.00 0.00 39.78 39.29 1nee n ASN 97 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1nee n LYS 98 N -0.53 0.20 0.01 1.20 4.81 -0.80 -3.12 118.16 119.93 1nee n LYS 98 Ca 0.46 0.14 -0.08 0.00 -0.87 0.00 0.00 58.31 57.96 1nee n LYS 98 Cb 0.50 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 1nee n LYS 98 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1nee h PHE 99 N 0.00 -0.13 0.00 5.64 0.04 -1.83 0.18 116.94 120.83 1nee h PHE 99 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nee h PHE 99 Cb 0.68 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1nee h PHE 99 CO 0.00 0.28 0.00 0.28 -0.60 0.00 0.00 178.31 178.27 1nee n VAL 100 N -4.84 0.01 -0.06 -0.55 0.31 -1.26 0.57 118.33 112.52 1nee n VAL 100 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1nee n VAL 100 Cb 0.23 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 1nee n VAL 100 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1nee n ILE 101 N -1.07 0.62 1.90 2.52 2.08 -1.18 -4.58 119.36 119.65 1nee n ILE 101 Ca 0.21 -0.17 0.04 0.00 0.56 0.00 0.00 62.75 63.39 1nee n ILE 101 Cb 0.14 -1.50 0.21 0.00 -0.75 0.00 0.00 39.64 37.73 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nee n HIS 103 N -0.50 -1.64 -3.64 0.00 8.25 -1.10 -3.93 115.22 112.67 1nee n HIS 103 Ca 0.06 0.64 -0.20 0.00 -0.26 0.00 0.00 57.72 57.97 1nee n HIS 103 Cb 0.05 -3.97 0.00 0.00 1.12 0.00 0.00 29.99 27.19 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 -3.01 -1.46 -1.12 -0.41 4.07 0.19 -4.75 120.64 114.15 1nee n GLU 104 Ca -0.14 0.90 -0.33 0.00 -0.06 0.00 0.00 57.16 57.53 1nee n GLU 104 Cb 0.61 -3.08 -0.02 0.00 -0.06 0.00 0.00 31.44 28.88 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nee n ASN 106 N 4.53 0.00 -3.49 0.00 5.15 -1.26 -4.73 115.26 115.46 1nee n ASN 106 Ca 0.59 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 54.21 1nee n ASN 106 Cb 0.23 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.47 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nee n ARG 107 N 0.00 4.43 -1.62 1.20 5.12 -1.26 -5.06 116.66 119.47 1nee n ARG 107 Ca 0.00 -4.71 -0.42 0.00 -1.93 0.00 0.00 57.85 50.79 1nee n ARG 107 Cb 0.00 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 28.91 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 0.20 1.48 -0.64 5.56 -0.02 -1.26 -4.83 135.00 135.49 1nee n PRO 108 Ca 0.38 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1nee n PRO 108 Cb 0.32 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1nee n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nee n ASP 109 N 0.72 5.57 -4.00 2.55 9.92 -1.26 -4.82 116.55 125.23 1nee n ASP 109 Ca 0.09 -2.56 -0.23 0.00 -0.53 0.00 0.00 54.79 51.56 1nee n ASP 109 Cb 0.37 -1.15 -0.08 0.00 -0.64 0.00 0.00 41.12 39.62 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1nee s THR 110 N -0.38 0.48 -0.69 -3.53 -4.23 -1.26 -5.10 115.64 100.94 1nee s THR 110 Ca 0.13 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 1nee s THR 110 Cb 0.08 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.57 1nee s THR 110 CO -0.01 0.00 0.97 -0.60 -0.54 0.00 0.00 174.62 174.45 1nee s ARG 111 N -3.71 3.16 0.05 3.99 6.06 -1.26 -5.02 118.95 122.22 1nee s ARG 111 Ca 0.29 -0.96 -0.00 0.00 -2.50 0.00 0.00 55.73 52.56 1nee s ARG 111 Cb 0.03 -4.32 -0.04 0.00 0.06 0.00 0.00 34.95 30.69 1nee s ARG 111 CO 0.17 -1.80 0.19 0.42 -2.50 0.00 0.00 175.30 171.77 1nee s ILE 112 N 3.85 5.28 0.01 4.11 1.01 -1.26 -4.86 121.20 129.34 1nee s ILE 112 Ca 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1nee s ILE 112 Cb -0.16 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1nee s ILE 112 CO 0.08 0.18 0.02 -0.63 0.00 0.00 0.00 174.94 174.59 1nee s ILE 113 N -1.45 0.07 -0.08 2.92 -1.09 -1.26 -5.00 121.20 115.31 1nee s ILE 113 Ca 0.32 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 58.11 1nee s ILE 113 Cb -0.13 -0.23 0.04 0.00 -1.58 0.00 0.00 42.46 40.57 1nee s ILE 113 CO 0.25 -0.33 0.18 -0.60 -1.23 0.00 0.00 174.94 173.21 1nee s ARG 114 N -0.99 0.12 -0.01 2.79 3.52 -1.26 -2.28 118.95 120.83 1nee s ARG 114 Ca -0.11 0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1nee s ARG 114 Cb -0.07 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.14 1nee s ARG 114 CO -0.00 -0.19 -0.15 -2.00 -0.81 0.00 0.00 175.30 172.15 1nee s GLU 115 N 1.40 1.21 0.00 5.12 2.12 -0.39 -4.79 118.70 123.36 1nee s GLU 115 Ca -0.07 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1nee s GLU 115 Cb -0.11 -1.17 0.00 0.00 0.26 0.00 0.00 34.13 33.11 1nee s GLU 115 CO -0.07 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1nee n GLY 116 N 2.71 1.35 3.33 -1.50 0.00 -1.26 -0.85 105.19 108.98 1nee n GLY 116 Ca -0.14 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.35 -1.61 -3.01 1.61 3.00 -1.26 -3.44 116.66 110.60 1nee n ARG 117 Ca 0.00 1.32 -0.12 0.00 -0.01 0.00 0.00 57.85 59.04 1nee n ARG 117 Cb 0.10 -4.15 0.06 0.00 0.00 0.00 0.00 32.46 28.47 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 -1.69 -3.95 0.00 0.55 5.41 -1.26 -4.96 119.36 113.47 1nee n ILE 118 Ca -0.10 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1nee n ILE 118 Cb 0.58 -4.13 0.00 0.00 -0.71 0.00 0.00 39.64 35.38 1nee n ILE 118 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nee n SER 119 N -2.39 0.30 -4.29 4.38 7.64 -1.22 -5.03 113.62 113.01 1nee n SER 119 Ca -0.18 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.50 1nee n SER 119 Cb 0.61 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.70 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nee s LEU 120 N -5.84 2.42 -0.13 -3.43 2.01 -0.03 -4.96 118.68 108.72 1nee s LEU 120 Ca 0.00 -0.83 -0.32 0.00 0.01 0.00 0.00 54.13 52.99 1nee s LEU 120 Cb 0.00 -0.72 0.13 0.00 0.01 0.00 0.00 46.19 45.60 1nee s LEU 120 CO 0.00 -0.07 1.08 -1.48 1.01 0.00 0.00 176.35 176.88 1nee s LEU 121 N -2.53 -0.25 0.04 1.79 2.34 -0.61 -1.27 118.68 118.18 1nee s LEU 121 Ca 0.12 0.07 0.08 0.00 0.06 0.00 0.00 54.13 54.46 1nee s LEU 121 Cb -0.06 1.66 -0.03 0.00 -0.56 0.00 0.00 46.19 47.20 1nee s LEU 121 CO 0.05 -0.37 -0.22 -0.75 -1.06 0.00 0.00 176.35 174.01 1nee s LYS 122 N -2.34 1.98 -0.38 1.48 2.20 -0.97 -1.81 119.74 119.91 1nee s LYS 122 Ca 0.06 -1.02 0.13 0.00 -0.36 0.00 0.00 55.97 54.78 1nee s LYS 122 Cb -0.01 -2.11 0.40 0.00 -1.51 0.00 0.00 37.83 34.60 1nee s LYS 122 CO -0.05 0.53 0.86 0.00 -0.36 0.00 0.00 175.35 176.34 1nee h GLU 124 N 2.96 0.00 0.00 0.00 4.81 -1.89 -1.41 114.58 119.05 1nee h GLU 124 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nee h GLU 124 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1nee h GLU 124 CO 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1nee n ALA 125 N -2.49 -0.15 -0.82 2.92 0.00 -1.26 -3.80 120.51 114.90 1nee n ALA 125 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1nee n ALA 125 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 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 2.26 0.83 3.31 0.00 0.00 -1.04 -4.98 105.19 105.57 1nee n GLY 127 Ca 0.30 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.99 0.03 4.61 0.00 -0.56 -3.73 121.76 119.12 1nee s ALA 128 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1nee s ALA 128 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1nee s ALA 128 CO 0.00 -0.40 0.05 0.21 0.00 0.00 0.00 175.76 175.63 1nee s LYS 129 N -2.08 0.52 -0.73 0.00 2.47 -1.26 -4.55 119.74 114.11 1nee s LYS 129 Ca -0.08 -0.77 -0.24 0.00 -1.56 0.00 0.00 55.97 53.32 1nee s LYS 129 Cb -0.02 0.20 0.06 0.00 -1.46 0.00 0.00 37.83 36.61 1nee s LYS 129 CO 0.00 -0.12 1.13 0.00 0.16 0.00 0.00 175.35 176.53 1nee s ALA 130 N -2.47 2.96 -0.78 3.13 0.00 -0.87 -4.36 121.76 119.36 1nee s ALA 130 Ca -0.06 -1.74 0.22 0.00 0.00 0.00 0.00 51.96 50.38 1nee s ALA 130 Cb -0.02 -4.07 0.87 0.00 0.00 0.00 0.00 23.12 19.90 1nee s ALA 130 CO -0.04 -3.05 1.67 -0.35 0.00 0.00 0.00 175.76 173.99 1nee n PRO 131 N 8.38 0.11 -4.00 0.00 -0.04 -0.75 -1.58 135.00 137.12 1nee n PRO 131 Ca 0.03 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1nee n PRO 131 Cb 0.47 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 1nee n PRO 131 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1nee s LEU 132 N -3.75 2.27 -0.10 1.53 0.20 -1.26 -4.28 118.68 113.29 1nee s LEU 132 Ca 0.08 -0.57 -0.13 0.00 0.69 0.00 0.00 54.13 54.20 1nee s LEU 132 Cb 0.11 0.09 -0.05 0.00 -0.43 0.00 0.00 46.19 45.92 1nee s LEU 132 CO 0.40 -0.33 0.31 -1.59 -0.29 0.00 0.00 176.35 174.86 1nee s LYS 133 N -1.77 3.99 0.29 1.98 -2.85 -1.26 -5.00 119.74 115.11 1nee s LYS 133 Ca -0.13 0.18 0.07 0.00 -1.00 0.00 0.00 55.97 55.09 1nee s LYS 133 Cb -0.08 -3.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.35 1nee s LYS 133 CO -0.02 0.49 0.25 0.54 0.10 0.00 0.00 175.35 176.71 1nee s ASN 134 N -0.33 5.49 0.00 0.03 2.20 -1.26 -5.22 114.94 115.85 1nee s ASN 134 Ca 0.19 -0.32 0.22 0.00 -0.94 0.00 0.00 52.86 52.00 1nee s ASN 134 Cb -0.14 -1.26 0.17 0.00 -2.00 0.00 0.00 41.25 38.02 1nee s ASN 134 CO 0.07 -0.17 1.19 1.33 -2.94 0.00 0.00 177.10 176.58