#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 -0.57 -0.18 7.83 -1.08 -1.26 -5.08 116.67 116.33 1nee s ASP 2 Ca 0.00 1.10 -0.17 0.00 -0.52 0.00 0.00 52.55 52.96 1nee s ASP 2 Cb 0.00 1.12 -0.06 0.00 -1.46 0.00 0.00 42.92 42.52 1nee s ASP 2 CO 0.00 -0.19 -0.34 -0.67 0.52 0.00 0.00 175.17 174.49 1nee n ASP 3 N 2.78 1.92 -3.64 -0.34 2.03 -1.26 -5.07 116.55 112.97 1nee n ASP 3 Ca -0.14 0.35 -0.03 0.00 0.52 0.00 0.00 54.79 55.49 1nee n ASP 3 Cb 0.56 -0.75 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 1nee n ASP 3 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1nee s TYR 4 N -2.85 -0.49 -0.65 -0.67 2.02 -1.26 -5.11 117.35 108.33 1nee s TYR 4 Ca -0.28 1.02 -0.19 0.00 -0.37 0.00 0.00 57.07 57.25 1nee s TYR 4 Cb 0.04 0.33 0.11 0.00 -0.40 0.00 0.00 41.96 42.04 1nee s TYR 4 CO 0.41 -0.24 0.77 -2.00 -1.57 0.00 0.00 175.55 172.92 1nee s GLU 5 N 1.06 3.15 0.14 -0.62 2.56 -1.26 -5.04 118.70 118.69 1nee s GLU 5 Ca -0.06 -1.43 0.03 0.00 0.00 0.00 0.00 54.97 53.51 1nee s GLU 5 Cb -0.04 -4.35 -0.04 0.00 2.00 0.00 0.00 34.13 31.71 1nee s GLU 5 CO -0.13 -1.57 0.17 0.15 -0.56 0.00 0.00 175.26 173.33 1nee s LYS 6 N 2.56 3.10 -0.23 4.30 1.02 -1.26 -5.10 119.74 124.13 1nee s LYS 6 Ca 0.15 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1nee s LYS 6 Cb -0.21 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1nee s LYS 6 CO 0.04 0.52 -0.12 -0.48 -0.92 0.00 0.00 175.35 174.39 1nee s LEU 7 N -2.96 2.90 -1.07 3.17 2.34 -1.26 -5.04 118.68 116.76 1nee s LEU 7 Ca 0.32 -0.90 -0.06 0.00 0.06 0.00 0.00 54.13 53.55 1nee s LEU 7 Cb -0.11 -1.58 0.29 0.00 -0.56 0.00 0.00 46.19 44.22 1nee s LEU 7 CO 0.25 -0.10 1.22 0.18 -1.06 0.00 0.00 176.35 176.84 1nee n LEU 8 N 4.60 5.70 -4.22 1.48 4.77 -1.26 -4.98 117.00 123.10 1nee n LEU 8 Ca -0.17 -5.13 -0.42 0.00 -0.03 0.00 0.00 56.01 50.26 1nee n LEU 8 Cb 0.47 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.14 1nee n LEU 8 CO 0.25 1.52 0.01 -1.61 -1.33 0.00 0.00 177.39 176.23 1nee s GLU 9 N -1.92 2.55 0.92 3.23 2.02 -1.26 -5.08 118.70 119.17 1nee s GLU 9 Ca 0.31 -1.78 -0.16 0.00 0.02 0.00 0.00 54.97 53.37 1nee s GLU 9 Cb -0.03 -3.98 0.21 0.00 0.10 0.00 0.00 34.13 30.43 1nee s GLU 9 CO -0.01 -1.21 1.23 0.54 0.02 0.00 0.00 175.26 175.83 1nee n ARG 10 N 4.93 -1.28 -2.35 1.61 1.74 -1.26 -4.65 116.66 115.39 1nee n ARG 10 Ca -0.08 -1.91 -0.05 0.00 -0.77 0.00 0.00 57.85 55.04 1nee n ARG 10 Cb 0.41 -1.29 0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 -3.84 -0.74 -0.01 7.54 0.00 -1.26 -4.98 120.51 117.21 1nee n ALA 11 Ca -0.20 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1nee n ALA 11 Cb 0.54 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N -1.99 0.11 0.07 0.00 5.41 -1.26 -4.12 119.36 117.58 1nee n ILE 12 Ca -0.07 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1nee n ILE 12 Cb 0.55 0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 1nee n ILE 12 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1nee n ASP 13 N -2.05 -0.46 0.00 4.38 5.68 -1.26 0.11 116.55 122.95 1nee n ASP 13 Ca -0.05 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1nee n ASP 13 Cb 0.44 0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 1nee n ASP 13 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1nee n GLN 14 N -2.91 0.00 -1.81 0.11 -0.06 -1.26 -4.68 117.38 106.77 1nee n GLN 14 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1nee n GLN 14 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1nee n GLN 14 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1nee n LEU 15 N 0.00 -5.32 -4.25 1.69 -0.00 -1.26 -4.88 117.00 102.98 1nee n LEU 15 Ca 0.00 3.24 -0.34 0.00 -0.00 0.00 0.00 56.01 58.91 1nee n LEU 15 Cb 0.00 -3.14 0.12 0.00 -0.00 0.00 0.00 43.42 40.40 1nee n LEU 15 CO 0.00 -0.34 -0.71 -0.81 -0.00 0.00 0.00 177.39 175.53 1nee n PRO 16 N 0.13 -0.74 0.00 1.96 -0.04 -1.26 -4.99 135.00 130.06 1nee n PRO 16 Ca 0.00 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1nee n PRO 16 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.73 0.00 0.00 0.54 -0.04 -1.26 -4.64 135.00 128.87 1nee n PRO 17 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1nee n PRO 17 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 0.00 0.00 -4.04 0.54 2.13 -1.26 -4.52 120.64 113.48 1nee n GLU 18 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1nee n GLU 18 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1nee s VAL 19 N 0.00 4.69 -1.13 6.31 1.01 -1.26 -5.04 120.40 124.99 1nee s VAL 19 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1nee s VAL 19 Cb 0.00 -3.36 0.27 0.00 0.00 0.00 0.00 36.38 33.28 1nee s VAL 19 CO 0.00 -0.04 1.79 2.22 0.00 0.00 0.00 175.10 179.07 1nee n PHE 20 N -0.15 2.55 -0.40 5.22 -1.74 -1.26 -5.02 117.46 116.66 1nee n PHE 20 Ca -0.08 -2.63 -0.31 0.00 -0.56 0.00 0.00 57.45 53.87 1nee n PHE 20 Cb 0.54 -1.42 0.29 0.00 1.52 0.00 0.00 39.48 40.41 1nee n PHE 20 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1nee s GLU 21 N -2.64 -3.09 -0.84 3.97 2.12 -1.26 -4.90 118.70 112.06 1nee s GLU 21 Ca 0.38 0.04 -0.21 0.00 0.36 0.00 0.00 54.97 55.55 1nee s GLU 21 Cb 0.12 -1.37 0.10 0.00 0.26 0.00 0.00 34.13 33.24 1nee s GLU 21 CO -0.02 -4.96 1.12 -0.08 -0.54 0.00 0.00 175.26 170.79 1nee s THR 22 N -2.30 4.44 0.09 -1.70 -1.32 -1.26 -5.02 115.64 108.58 1nee s THR 22 Ca 0.69 -0.98 -0.24 0.00 -1.21 0.00 0.00 61.69 59.95 1nee s THR 22 Cb -0.11 -4.79 -0.07 0.00 -1.51 0.00 0.00 72.50 66.02 1nee s THR 22 CO 0.57 -1.56 0.75 -0.54 -2.21 0.00 0.00 174.62 171.62 1nee s LYS 23 N 3.59 4.49 -0.48 7.08 1.02 -1.26 -4.51 119.74 129.66 1nee s LYS 23 Ca 0.31 1.06 -0.03 0.00 0.02 0.00 0.00 55.97 57.33 1nee s LYS 23 Cb -0.08 -3.31 0.14 0.00 -0.52 0.00 0.00 37.83 34.05 1nee s LYS 23 CO -0.02 0.43 2.52 0.54 -0.92 0.00 0.00 175.35 177.89 1nee n ARG 24 N 2.25 2.35 -3.39 1.68 5.12 0.29 -4.92 116.66 120.05 1nee n ARG 24 Ca -0.04 -2.38 -0.38 0.00 -1.93 0.00 0.00 57.85 53.12 1nee n ARG 24 Cb 0.50 -2.07 -0.07 0.00 -1.16 0.00 0.00 32.46 29.66 1nee n ARG 24 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1nee s PHE 25 N -2.10 3.45 -0.30 -1.55 -0.71 -1.26 -4.90 117.98 110.61 1nee s PHE 25 Ca 0.54 0.73 -0.10 0.00 -1.04 0.00 0.00 56.93 57.05 1nee s PHE 25 Cb 0.37 -2.50 0.14 0.00 -1.21 0.00 0.00 43.02 39.82 1nee s PHE 25 CO -0.19 0.12 0.71 -1.83 -1.34 0.00 0.00 175.22 172.68 1nee s GLU 26 N 0.85 0.53 -0.38 1.99 -1.05 -1.26 -5.07 118.70 114.31 1nee s GLU 26 Ca 0.21 1.30 0.12 0.00 -0.15 0.00 0.00 54.97 56.45 1nee s GLU 26 Cb -0.14 0.78 0.38 0.00 -0.44 0.00 0.00 34.13 34.71 1nee s GLU 26 CO 0.08 -0.21 1.04 0.28 0.95 0.00 0.00 175.26 177.40 1nee n VAL 27 N 5.37 0.23 -1.64 1.83 0.31 -1.26 -5.13 118.33 118.05 1nee n VAL 27 Ca -0.11 -2.67 -0.45 0.00 -0.01 0.00 0.00 64.34 61.11 1nee n VAL 27 Cb 0.50 0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 34.13 1nee n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1nee n PRO 28 N -0.02 1.70 -2.00 5.55 -0.02 -1.26 -4.96 135.00 133.98 1nee n PRO 28 Ca 0.09 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 1nee n PRO 28 Cb 0.76 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.09 0.16 -0.93 -0.52 5.02 -1.26 -4.99 118.16 116.74 1nee n LYS 29 Ca 0.09 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1nee n LYS 29 Cb 0.32 0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.83 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nee n ALA 30 N -2.46 0.00 -3.65 7.82 0.00 -1.26 -5.02 120.51 115.94 1nee n ALA 30 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1nee n ALA 30 Cb 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.00 -0.01 1.21 0.00 1.13 -1.26 -4.85 117.35 111.58 1nee s TYR 31 Ca 0.00 0.00 -0.20 0.00 -1.41 0.00 0.00 57.07 55.46 1nee s TYR 31 Cb 0.00 0.50 0.30 0.00 -1.10 0.00 0.00 41.96 41.66 1nee s TYR 31 CO 0.00 -0.01 1.15 0.45 -2.51 0.00 0.00 175.55 174.63 1nee s SER 32 N -1.78 0.89 -0.04 -0.18 0.15 -1.26 -4.75 113.70 106.73 1nee s SER 32 Ca 0.11 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.24 1nee s SER 32 Cb -0.01 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1nee s SER 32 CO -0.04 -4.13 -0.11 -0.69 1.20 0.00 0.00 173.24 169.48 1nee s VAL 33 N -3.17 0.98 0.32 4.45 1.01 -0.90 -4.86 120.40 118.24 1nee s VAL 33 Ca 0.73 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1nee s VAL 33 Cb -0.07 -0.88 -0.12 0.00 0.00 0.00 0.00 36.38 35.31 1nee s VAL 33 CO 0.55 0.30 1.40 -0.38 0.00 0.00 0.00 175.10 176.98 1nee n ILE 34 N 3.45 1.60 -4.02 2.22 5.41 -1.26 -1.02 119.36 125.74 1nee n ILE 34 Ca -0.20 -0.40 -0.08 0.00 1.00 0.00 0.00 62.75 63.07 1nee n ILE 34 Cb 0.53 -1.68 -0.10 0.00 -0.71 0.00 0.00 39.64 37.68 1nee n ILE 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nee s GLN 35 N -1.35 0.47 -0.72 0.38 2.00 0.58 -4.77 119.66 116.24 1nee s GLN 35 Ca 0.59 -0.89 -0.14 0.00 -2.00 0.00 0.00 55.36 52.93 1nee s GLN 35 Cb -0.56 0.17 -0.19 0.00 0.80 0.00 0.00 33.01 33.22 1nee s GLN 35 CO 0.57 -0.09 1.93 0.41 -0.50 0.00 0.00 175.29 177.61 1nee n GLY 36 N 0.87 -0.29 2.42 2.59 0.00 -1.26 -0.37 105.19 109.15 1nee n GLY 36 Ca -0.19 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1nee n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nee n ASN 37 N 10.69 -4.65 -3.90 1.61 2.85 -1.26 -4.97 115.26 115.63 1nee n ASN 37 Ca 0.42 0.29 -0.09 0.00 -0.11 0.00 0.00 54.58 55.09 1nee n ASN 37 Cb 0.35 -3.19 -0.07 0.00 1.24 0.00 0.00 39.78 38.11 1nee n ASN 37 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1nee s ARG 38 N -2.90 0.91 -0.17 1.20 0.52 0.50 -2.57 118.95 116.44 1nee s ARG 38 Ca 0.00 -1.03 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 1nee s ARG 38 Cb 0.00 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 1nee s ARG 38 CO 0.00 -0.30 -0.02 -0.08 0.02 0.00 0.00 175.30 174.92 1nee s THR 39 N -3.89 4.00 -0.96 0.02 -1.32 -0.80 -0.31 115.64 112.38 1nee s THR 39 Ca 0.08 -0.31 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 1nee s THR 39 Cb 0.05 -2.77 0.24 0.00 -1.51 0.00 0.00 72.50 68.50 1nee s THR 39 CO -0.08 0.47 0.94 0.12 -2.21 0.00 0.00 174.62 173.87 1nee s PHE 40 N 0.52 3.93 -0.24 9.09 2.19 -0.18 -0.96 117.98 132.32 1nee s PHE 40 Ca -0.02 -2.25 -0.24 0.00 0.33 0.00 0.00 56.93 54.76 1nee s PHE 40 Cb -0.14 -3.87 -0.01 0.00 -1.31 0.00 0.00 43.02 37.70 1nee s PHE 40 CO 0.02 -1.01 0.79 -1.50 1.83 0.00 0.00 175.22 175.35 1nee s ILE 41 N -0.23 4.87 -0.12 3.12 1.10 -1.01 -2.11 121.20 126.82 1nee s ILE 41 Ca 0.24 1.48 0.06 0.00 -0.51 0.00 0.00 60.65 61.93 1nee s ILE 41 Cb -0.10 -4.08 -0.12 0.00 0.15 0.00 0.00 42.46 38.32 1nee s ILE 41 CO -0.08 -0.05 -0.03 1.67 -2.11 0.00 0.00 174.94 174.34 1nee n GLN 42 N 5.94 1.48 -1.41 3.50 7.27 -1.26 -2.35 117.38 130.54 1nee n GLN 42 Ca 0.04 0.03 -0.35 0.00 0.07 0.00 0.00 57.00 56.79 1nee n GLN 42 Cb 0.48 -1.28 0.07 0.00 2.41 0.00 0.00 30.24 31.92 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1nee n ASN 43 N -2.60 7.67 -0.40 1.69 4.13 -1.26 -4.70 115.26 119.78 1nee n ASN 43 Ca -0.21 -3.78 0.37 0.00 1.68 0.00 0.00 54.58 52.64 1nee n ASN 43 Cb 0.82 -1.00 0.72 0.00 -1.54 0.00 0.00 39.78 38.78 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1nee h PHE 44 N 2.14 0.16 0.19 3.10 3.57 -1.96 1.52 116.94 125.66 1nee h PHE 44 Ca 0.60 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.09 1nee h PHE 44 Cb 0.69 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1nee h PHE 44 CO 1.39 -0.01 -0.09 -0.09 -2.23 0.00 0.00 178.31 177.28 1nee h ARG 45 N 0.07 -0.25 0.13 1.11 9.65 -1.99 -2.06 114.38 121.05 1nee h ARG 45 Ca 0.66 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.55 1nee h ARG 45 Cb 2.45 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 31.08 1nee h ARG 45 CO -0.10 0.01 -0.06 1.49 2.80 0.00 0.00 179.97 184.11 1nee h GLU 46 N -1.01 -0.17 -0.80 0.20 4.57 -1.54 -2.81 114.58 113.02 1nee h GLU 46 Ca -0.03 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1nee h GLU 46 Cb 0.37 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 1nee h GLU 46 CO 0.04 0.16 0.52 0.28 -1.18 0.00 0.00 179.01 178.83 1nee h VAL 47 N -0.52 0.98 0.96 0.32 2.07 0.19 -2.84 116.25 117.42 1nee h VAL 47 Ca -0.02 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1nee h VAL 47 Cb 0.41 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1nee h VAL 47 CO 0.03 0.14 -0.46 0.00 0.02 0.00 0.00 177.57 177.30 1nee h ALA 48 N 1.59 -1.29 -0.10 1.67 0.00 -1.28 -0.19 119.26 119.66 1nee h ALA 48 Ca 0.36 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nee h ALA 48 Cb 0.36 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1nee h ALA 48 CO -0.13 -1.21 -0.25 0.22 0.00 0.00 0.00 179.25 177.87 1nee h ASP 49 N -1.32 -0.81 -0.57 0.00 1.82 -1.29 0.59 116.42 114.84 1nee h ASP 49 Ca -0.13 0.10 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1nee h ASP 49 Cb 0.99 0.32 -0.06 0.00 0.68 0.00 0.00 39.33 41.26 1nee h ASP 49 CO 0.22 -0.21 0.24 0.00 -1.61 0.00 0.00 179.24 177.87 1nee h ALA 50 N -0.86 0.73 0.00 -0.78 0.00 -1.59 0.25 119.26 117.02 1nee h ALA 50 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nee h ALA 50 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nee h ALA 50 CO -0.22 -0.16 0.00 1.25 0.00 0.00 0.00 179.25 180.12 1nee h LEU 51 N 0.44 0.00 0.00 0.00 5.85 -0.57 -3.30 115.31 117.73 1nee h LEU 51 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1nee h LEU 51 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1nee h LEU 51 CO -0.26 0.00 0.00 -3.20 -0.34 0.00 0.00 178.44 174.64 1nee n ASN 52 N -2.89 0.00 0.00 1.25 4.05 0.20 -4.59 115.26 113.28 1nee n ASN 52 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1nee n ASN 52 Cb 0.19 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.20 1nee n ASN 52 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1nee n ARG 53 N 0.00 0.00 -1.99 1.20 3.00 -0.05 -3.62 116.66 115.19 1nee n ARG 53 Ca 0.00 0.98 -0.41 0.00 -0.00 0.00 0.00 57.85 58.42 1nee n ARG 53 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 30.95 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 -2.98 6.61 0.12 6.15 1.01 -1.26 -4.49 116.67 121.83 1nee s ASP 54 Ca 0.00 2.81 -0.12 0.00 0.71 0.00 0.00 52.55 55.95 1nee s ASP 54 Cb 0.00 -2.65 -0.12 0.00 1.01 0.00 0.00 42.92 41.16 1nee s ASP 54 CO 0.00 -0.67 1.35 1.55 0.21 0.00 0.00 175.17 177.60 1nee h PRO 55 N 3.49 0.80 -0.87 8.23 0.13 -1.92 -3.17 132.00 138.69 1nee h PRO 55 Ca -0.49 -0.60 0.25 0.00 -0.87 0.00 0.00 66.00 64.29 1nee h PRO 55 Cb 1.23 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1nee h PRO 55 CO 0.67 1.22 0.63 1.96 -0.23 0.00 0.00 178.00 182.24 1nee h GLN 56 N 0.57 0.02 -0.09 0.86 4.20 -1.93 0.32 115.11 119.05 1nee h GLN 56 Ca -0.03 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1nee h GLN 56 Cb 1.32 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1nee h GLN 56 CO 0.15 0.01 -0.57 1.25 -0.67 0.00 0.00 178.83 179.00 1nee h HIS 57 N 0.02 0.35 -0.20 2.96 2.76 -1.91 -2.69 115.15 116.44 1nee h HIS 57 Ca 0.42 -0.13 -0.14 0.00 -2.20 0.00 0.00 60.37 58.32 1nee h HIS 57 Cb 1.65 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.54 1nee h HIS 57 CO -0.00 0.78 -0.41 -0.07 -1.30 0.00 0.00 177.93 176.93 1nee h LEU 58 N 0.21 0.70 0.11 0.26 4.07 -0.49 -2.64 115.31 117.54 1nee h LEU 58 Ca -0.00 -0.55 0.01 0.00 0.08 0.00 0.00 57.88 57.41 1nee h LEU 58 Cb 1.06 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 1nee h LEU 58 CO 0.09 1.13 -0.15 -0.07 -1.08 0.00 0.00 178.44 178.36 1nee h LEU 59 N 0.31 -0.40 -0.24 1.67 3.38 -1.34 -1.76 115.31 116.93 1nee h LEU 59 Ca 0.00 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1nee h LEU 59 Cb 1.02 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1nee h LEU 59 CO 0.09 -0.22 0.05 0.50 0.09 0.00 0.00 178.44 178.96 1nee h LYS 60 N -0.30 0.15 -0.84 1.13 1.63 -1.54 -1.99 116.57 114.80 1nee h LYS 60 Ca 0.01 -0.01 0.16 0.00 -0.85 0.00 0.00 60.65 59.97 1nee h LYS 60 Cb 0.31 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.80 1nee h LYS 60 CO -0.06 0.10 0.40 0.74 -3.45 0.00 0.00 179.45 177.18 1nee h PHE 61 N 0.15 0.69 0.30 1.91 0.04 -1.24 -1.44 116.94 117.35 1nee h PHE 61 Ca 0.11 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1nee h PHE 61 Cb 0.10 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1nee h PHE 61 CO -0.15 0.11 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.35 1nee h LEU 62 N 0.54 -0.67 -2.30 1.54 3.38 -0.58 -1.45 115.31 115.77 1nee h LEU 62 Ca 0.47 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.54 1nee h LEU 62 Cb 0.74 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1nee h LEU 62 CO -0.41 -0.38 0.21 0.25 0.09 0.00 0.00 178.44 178.20 1nee h LEU 63 N -0.57 0.00 0.04 1.67 5.85 -0.88 -0.97 115.31 120.45 1nee h LEU 63 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1nee h LEU 63 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1nee h LEU 63 CO -0.03 0.00 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.97 1nee h ARG 64 N 0.00 -0.05 0.00 1.25 9.65 -0.45 -3.41 114.38 121.38 1nee h ARG 64 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1nee h ARG 64 Cb 0.48 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1nee h ARG 64 CO -0.00 0.46 0.00 0.39 2.80 0.00 0.00 179.97 183.62 1nee n GLU 65 N -4.86 0.00 -1.63 0.20 -0.58 -0.81 -4.65 120.64 108.30 1nee n GLU 65 Ca -0.09 0.21 -0.22 0.00 -0.42 0.00 0.00 57.16 56.65 1nee n GLU 65 Cb 0.27 -0.70 -0.06 0.00 -0.57 0.00 0.00 31.44 30.39 1nee n GLU 65 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1nee s LEU 66 N -2.50 3.06 -0.28 -4.62 0.05 -0.43 -4.77 118.68 109.18 1nee s LEU 66 Ca 0.00 0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.46 1nee s LEU 66 Cb 0.00 -2.54 0.31 0.00 -2.05 0.00 0.00 46.19 41.92 1nee s LEU 66 CO 0.00 -3.44 1.69 0.61 -0.55 0.00 0.00 176.35 174.65 1nee n GLY 67 N 6.55 3.69 3.68 -3.48 0.00 -1.26 -4.45 105.19 109.91 1nee n GLY 67 Ca 0.42 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.05 2.31 0.06 2.61 -4.23 -1.26 -5.02 115.64 108.06 1nee s THR 68 Ca 0.32 -1.85 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1nee s THR 68 Cb 0.26 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1nee s THR 68 CO 0.03 -0.05 0.56 0.00 -0.54 0.00 0.00 174.62 174.62 1nee n ALA 69 N -1.09 -0.18 -1.23 3.99 0.00 -1.26 -4.89 120.51 115.85 1nee n ALA 69 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nee n ALA 69 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.11 -3.86 3.79 0.00 0.00 -1.26 -5.02 105.19 97.73 1nee n GLY 70 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.16 -0.19 -0.33 1.61 -0.87 -1.26 -4.92 114.94 108.82 1nee s ASN 71 Ca 0.00 -0.48 -0.19 0.00 -1.57 0.00 0.00 52.86 50.62 1nee s ASN 71 Cb 0.00 0.56 -0.01 0.00 -0.02 0.00 0.00 41.25 41.78 1nee s ASN 71 CO 0.00 -1.04 0.59 -0.76 -2.57 0.00 0.00 177.10 173.32 1nee s LEU 72 N -2.95 4.21 0.14 0.60 1.02 -1.26 -2.31 118.68 118.13 1nee s LEU 72 Ca 0.12 0.24 0.04 0.00 0.02 0.00 0.00 54.13 54.55 1nee s LEU 72 Cb -0.03 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.41 1nee s LEU 72 CO 0.04 -0.49 0.16 -0.70 0.02 0.00 0.00 176.35 175.38 1nee s GLU 73 N 2.55 3.05 0.89 1.70 2.12 -0.57 -4.75 118.70 123.70 1nee s GLU 73 Ca 0.23 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1nee s GLU 73 Cb -0.15 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1nee s GLU 73 CO 0.13 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 1nee n GLY 74 N -0.18 -1.22 0.37 -1.50 0.00 -1.26 -2.52 105.19 98.88 1nee n GLY 74 Ca -0.08 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.64 1.08 -0.11 -0.02 0.00 -2.02 -3.43 103.07 97.94 1nee h GLY 75 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1nee h GLY 75 CO 0.00 0.14 0.02 0.54 0.00 0.00 0.00 176.54 177.24 1nee n ARG 76 N -4.52 0.41 -3.09 4.80 5.12 -1.24 -5.00 116.66 113.13 1nee n ARG 76 Ca 0.15 -0.23 -0.44 0.00 -1.93 0.00 0.00 57.85 55.40 1nee n ARG 76 Cb 0.38 -0.07 0.01 0.00 -1.16 0.00 0.00 32.46 31.61 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 -3.01 4.79 -2.95 7.54 0.00 -0.99 -3.84 120.51 122.04 1nee n ALA 77 Ca -0.02 -4.70 -0.44 0.00 0.00 0.00 0.00 53.44 48.28 1nee n ALA 77 Cb 0.05 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 -1.87 4.79 0.00 0.00 1.01 -1.05 -2.40 121.20 121.68 1nee s ILE 78 Ca 0.32 -1.68 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1nee s ILE 78 Cb -0.01 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.69 1nee s ILE 78 CO 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 174.94 173.47 1nee n LEU 79 N 6.38 0.00 -3.91 2.97 -0.00 -0.14 -1.51 117.00 120.79 1nee n LEU 79 Ca 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.12 1nee n LEU 79 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.77 1nee n LEU 79 CO 0.50 -0.41 -0.37 -1.58 -0.00 0.00 0.00 177.39 175.53 1nee s GLN 80 N -2.34 0.16 0.00 1.47 0.74 -1.26 -1.90 119.66 116.52 1nee s GLN 80 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.30 1nee s GLN 80 Cb 0.00 -0.13 0.00 0.00 1.10 0.00 0.00 33.01 33.98 1nee s GLN 80 CO 0.00 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.18 1nee n GLY 81 N 2.92 0.84 0.00 2.59 0.00 -1.06 -4.09 105.19 106.39 1nee n GLY 81 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.39 1.61 4.81 -1.26 -4.75 118.16 114.18 1nee n LYS 82 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1nee n LYS 82 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1nee n PHE 83 N 0.00 -1.28 -1.80 5.64 3.01 -1.26 -4.35 117.46 117.42 1nee n PHE 83 Ca 0.00 0.67 -0.42 0.00 1.01 0.00 0.00 57.45 58.71 1nee n PHE 83 Cb 0.00 -2.46 -0.00 0.00 -0.01 0.00 0.00 39.48 37.01 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 -4.33 3.77 -3.35 4.37 -2.24 -1.26 -4.42 114.28 106.82 1nee n THR 84 Ca -0.10 -3.25 -0.24 0.00 -2.27 0.00 0.00 64.05 58.18 1nee n THR 84 Cb 0.57 -2.55 0.03 0.00 -2.10 0.00 0.00 70.33 66.28 1nee n THR 84 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1nee n HIS 85 N 5.27 -2.07 0.00 4.78 8.25 -1.26 -4.92 115.22 125.27 1nee n HIS 85 Ca 0.53 0.63 0.00 0.00 -0.26 0.00 0.00 57.72 58.62 1nee n HIS 85 Cb 0.36 -3.98 0.00 0.00 1.12 0.00 0.00 29.99 27.50 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nee n PHE 86 N -4.42 0.00 0.11 4.41 3.01 -1.26 -4.32 117.46 114.99 1nee n PHE 86 Ca -0.04 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.19 1nee n PHE 86 Cb 0.57 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.90 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1nee h LEU 87 N 0.00 0.79 0.46 4.37 -0.00 -1.91 -2.58 115.31 116.44 1nee h LEU 87 Ca 0.00 -0.88 -0.02 0.00 -0.00 0.00 0.00 57.88 56.98 1nee h LEU 87 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.39 1nee h LEU 87 CO 0.00 1.61 -0.39 0.40 -0.00 0.00 0.00 178.44 180.06 1nee h ILE 88 N 0.10 0.00 -0.83 1.22 2.04 -1.90 0.62 117.51 118.77 1nee h ILE 88 Ca -0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1nee h ILE 88 Cb 1.97 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1nee h ILE 88 CO 0.24 0.00 0.50 -1.13 0.00 0.00 0.00 178.15 177.76 1nee h ASN 89 N -0.83 0.76 0.44 1.72 -0.73 -1.75 0.20 115.58 115.38 1nee h ASN 89 Ca -0.06 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1nee h ASN 89 Cb 0.71 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1nee h ASN 89 CO -0.01 0.47 -0.23 -0.08 -0.37 0.00 0.00 177.43 177.21 1nee h GLU 90 N 0.89 -0.60 -0.19 6.67 4.57 -1.23 0.40 114.58 125.10 1nee h GLU 90 Ca 0.37 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 1nee h GLU 90 Cb 0.23 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1nee h GLU 90 CO -0.19 -0.40 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.14 1nee h ARG 91 N -0.62 0.33 0.41 1.92 2.43 -0.61 -1.51 114.38 116.74 1nee h ARG 91 Ca -0.06 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1nee h ARG 91 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1nee h ARG 91 CO 0.08 0.55 -0.33 0.97 -1.51 0.00 0.00 179.97 179.73 1nee h ILE 92 N 0.08 0.32 -0.03 1.20 2.10 -0.60 -1.36 117.51 119.23 1nee h ILE 92 Ca 0.05 0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.00 1nee h ILE 92 Cb 0.40 0.32 -0.00 0.00 -1.09 0.00 0.00 36.82 36.45 1nee h ILE 92 CO 0.01 0.00 0.05 -0.08 -1.08 0.00 0.00 178.15 177.05 1nee h GLU 93 N -0.74 0.00 -0.17 2.19 4.57 -0.94 0.16 114.58 119.65 1nee h GLU 93 Ca -0.04 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1nee h GLU 93 Cb 0.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1nee h GLU 93 CO -0.01 0.00 -0.59 -0.44 -1.18 0.00 0.00 179.01 176.79 1nee h ASP 94 N 0.00 0.62 0.00 1.04 3.32 -0.17 -1.13 116.42 120.11 1nee h ASP 94 Ca 0.02 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1nee h ASP 94 Cb 0.12 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1nee h ASP 94 CO -0.00 1.07 -0.36 0.22 -1.72 0.00 0.00 179.24 178.45 1nee h TYR 95 N 0.42 0.00 -0.92 4.55 5.03 -0.66 -2.99 116.97 122.40 1nee h TYR 95 Ca -0.00 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.39 1nee h TYR 95 Cb 1.14 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 39.35 1nee h TYR 95 CO 0.05 0.08 0.57 0.28 -1.32 0.00 0.00 178.16 177.82 1nee h VAL 96 N -1.00 1.01 -1.75 1.81 2.07 -1.17 -2.46 116.25 114.77 1nee h VAL 96 Ca -0.01 -0.35 -0.67 0.00 0.82 0.00 0.00 66.70 66.49 1nee h VAL 96 Cb 0.38 -0.08 -0.35 0.00 -1.52 0.00 0.00 31.29 29.72 1nee h VAL 96 CO -0.01 0.18 0.11 0.59 0.02 0.00 0.00 177.57 178.46 1nee n ASN 97 N -4.61 6.03 -0.03 0.57 4.13 -0.43 -4.70 115.26 116.22 1nee n ASN 97 Ca 0.14 -3.78 0.15 0.00 1.68 0.00 0.00 54.58 52.78 1nee n ASN 97 Cb 0.22 -0.74 0.83 0.00 -1.54 0.00 0.00 39.78 38.55 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1nee n LYS 98 N -0.50 0.78 -0.01 3.52 2.85 -0.93 -2.83 118.16 121.04 1nee n LYS 98 Ca 0.46 -0.06 -0.09 0.00 -1.05 0.00 0.00 58.31 57.57 1nee n LYS 98 Cb 0.46 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.27 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 0.14 -0.09 0.00 5.58 3.04 -1.85 -0.83 116.94 122.93 1nee h PHE 99 Ca 0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1nee h PHE 99 Cb 0.16 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1nee h PHE 99 CO 0.00 0.38 -0.27 -0.24 -2.02 0.00 0.00 178.31 176.16 1nee h VAL 100 N -0.95 0.28 0.03 1.41 3.04 -1.95 0.13 116.25 118.23 1nee h VAL 100 Ca -0.01 -1.40 -0.28 0.00 -1.01 0.00 0.00 66.70 64.00 1nee h VAL 100 Cb 0.51 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.85 1nee h VAL 100 CO 0.02 0.16 -1.51 2.30 -1.01 0.00 0.00 177.57 177.53 1nee n ILE 101 N -3.10 1.59 1.39 3.17 -6.64 -1.13 -4.26 119.36 110.38 1nee n ILE 101 Ca 0.03 -0.19 0.14 0.00 -1.77 0.00 0.00 62.75 60.95 1nee n ILE 101 Cb 0.60 -1.96 0.45 0.00 -1.44 0.00 0.00 39.64 37.29 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1nee n HIS 103 N 0.10 -2.09 -3.56 0.00 8.25 0.11 -3.87 115.22 114.17 1nee n HIS 103 Ca 0.17 0.84 -0.30 0.00 -0.26 0.00 0.00 57.72 58.17 1nee n HIS 103 Cb 0.38 -4.57 0.02 0.00 1.12 0.00 0.00 29.99 26.94 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 -3.63 -1.78 -1.00 -0.41 2.13 0.23 -4.71 120.64 111.48 1nee n GLU 104 Ca -0.20 1.21 -0.35 0.00 0.66 0.00 0.00 57.16 58.48 1nee n GLU 104 Cb 0.64 -2.56 -0.04 0.00 0.27 0.00 0.00 31.44 29.75 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 6.14 0.00 -3.43 0.00 4.13 -1.26 -4.73 115.26 116.11 1nee n ASN 106 Ca 0.47 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.37 1nee n ASN 106 Cb 0.29 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.53 1nee n ASN 106 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1nee n ARG 107 N 0.00 4.52 -1.59 3.52 3.00 -1.26 -5.06 116.66 119.79 1nee n ARG 107 Ca 0.00 -4.73 -0.41 0.00 -0.00 0.00 0.00 57.85 52.71 1nee n ARG 107 Cb 0.00 -2.39 0.01 0.00 0.00 0.00 0.00 32.46 30.08 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1nee n PRO 108 N 0.03 1.23 -0.91 -0.14 -0.02 -1.26 -4.85 135.00 129.08 1nee n PRO 108 Ca 0.39 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 62.17 1nee n PRO 108 Cb 0.32 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.60 6.15 -3.82 2.55 8.00 -1.26 -4.85 116.55 123.92 1nee n ASP 109 Ca 0.10 -2.91 -0.22 0.00 0.71 0.00 0.00 54.79 52.47 1nee n ASP 109 Cb 0.39 -1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 40.28 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nee s THR 110 N -1.57 0.32 -0.69 -3.53 -4.23 -1.26 -5.10 115.64 99.58 1nee s THR 110 Ca 0.32 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 1nee s THR 110 Cb 0.22 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.72 1nee s THR 110 CO -0.04 0.00 1.00 -0.13 -0.54 0.00 0.00 174.62 174.91 1nee s ARG 111 N -3.63 3.16 0.08 3.99 1.81 -1.26 -5.02 118.95 118.08 1nee s ARG 111 Ca 0.31 -0.89 0.03 0.00 -1.72 0.00 0.00 55.73 53.46 1nee s ARG 111 Cb 0.03 -4.30 -0.04 0.00 -0.45 0.00 0.00 34.95 30.19 1nee s ARG 111 CO 0.20 -1.84 0.11 0.42 -0.68 0.00 0.00 175.30 173.51 1nee s ILE 112 N 4.04 4.69 -0.07 1.52 1.09 -1.26 -4.85 121.20 126.36 1nee s ILE 112 Ca 0.24 -0.71 -0.05 0.00 -1.10 0.00 0.00 60.65 59.03 1nee s ILE 112 Cb -0.15 -3.27 0.03 0.00 -1.06 0.00 0.00 42.46 38.00 1nee s ILE 112 CO 0.08 0.12 0.18 -0.51 -0.10 0.00 0.00 174.94 174.71 1nee s ILE 113 N -1.43 -0.03 -0.06 2.92 -1.16 -1.26 -4.98 121.20 115.21 1nee s ILE 113 Ca 0.30 0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.55 1nee s ILE 113 Cb -0.12 -0.28 0.02 0.00 0.61 0.00 0.00 42.46 42.69 1nee s ILE 113 CO 0.23 0.04 -0.06 -0.60 -2.81 0.00 0.00 174.94 171.74 1nee s ARG 114 N 0.76 1.10 0.00 3.50 3.52 -1.26 -2.07 118.95 124.50 1nee s ARG 114 Ca -0.06 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1nee s ARG 114 Cb -0.07 -1.06 -0.00 0.00 -1.56 0.00 0.00 34.95 32.25 1nee s ARG 114 CO -0.04 -0.09 -0.01 -1.83 -0.81 0.00 0.00 175.30 172.52 1nee s GLU 115 N 1.00 0.12 0.00 5.12 -1.05 -0.79 -4.88 118.70 118.22 1nee s GLU 115 Ca -0.09 -0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1nee s GLU 115 Cb -0.14 -0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.45 1nee s GLU 115 CO -0.00 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1nee n GLY 116 N 2.99 0.88 3.78 -3.83 0.00 -1.26 -1.80 105.19 105.95 1nee n GLY 116 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -5.07 -2.58 1.61 1.74 -1.26 -2.60 116.66 108.49 1nee n ARG 117 Ca 0.00 0.60 -0.07 0.00 -0.77 0.00 0.00 57.85 57.61 1nee n ARG 117 Cb 0.00 -5.26 0.04 0.00 -1.02 0.00 0.00 32.46 26.22 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1nee n ILE 118 N -4.42 -2.51 0.00 0.55 2.08 -1.26 -4.95 119.36 108.84 1nee n ILE 118 Ca -0.19 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 62.91 1nee n ILE 118 Cb 0.63 -3.55 0.00 0.00 -0.75 0.00 0.00 39.64 35.97 1nee n ILE 118 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1nee n SER 119 N -1.88 4.47 -4.33 4.38 3.41 -1.07 -4.70 113.62 113.89 1nee n SER 119 Ca -0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.30 1nee n SER 119 Cb 0.57 0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nee s LEU 120 N -4.25 2.50 0.00 1.04 2.01 -0.74 -4.93 118.68 114.30 1nee s LEU 120 Ca 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 54.13 53.19 1nee s LEU 120 Cb 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 46.19 45.48 1nee s LEU 120 CO 0.00 -0.12 0.00 -0.11 1.01 0.00 0.00 176.35 177.13 1nee n LEU 121 N -0.07 0.00 -4.60 1.79 7.94 -0.00 -1.89 117.00 120.17 1nee n LEU 121 Ca -0.10 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.47 1nee n LEU 121 Cb 0.59 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.43 1nee n LEU 121 CO 0.32 0.00 -0.38 -0.75 -1.11 0.00 0.00 177.39 175.47 1nee s LYS 122 N -2.00 2.60 -0.28 1.96 2.20 -0.88 -1.86 119.74 121.48 1nee s LYS 122 Ca 0.00 -0.68 0.21 0.00 -0.36 0.00 0.00 55.97 55.14 1nee s LYS 122 Cb 0.00 -2.53 0.49 0.00 -1.51 0.00 0.00 37.83 34.29 1nee s LYS 122 CO 0.00 0.62 1.06 0.00 -0.36 0.00 0.00 175.35 176.67 1nee h GLU 124 N 2.73 0.10 0.00 0.00 4.81 -1.89 -2.47 114.58 117.86 1nee h GLU 124 Ca -0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1nee h GLU 124 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1nee h GLU 124 CO 0.28 0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 1nee n ALA 125 N -2.68 -0.08 -0.80 2.92 0.00 -1.26 -3.76 120.51 114.84 1nee n ALA 125 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 1nee n ALA 125 Cb 1.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.60 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 2.57 0.64 3.30 0.00 0.00 -0.96 -4.94 105.19 105.80 1nee n GLY 127 Ca 0.34 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.92 0.02 4.61 0.00 -1.02 -3.69 121.76 118.76 1nee s ALA 128 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 1nee s ALA 128 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 1nee s ALA 128 CO 0.00 -0.39 0.11 0.21 0.00 0.00 0.00 175.76 175.69 1nee s LYS 129 N -2.14 0.52 -0.61 0.00 2.36 -1.26 -4.58 119.74 114.04 1nee s LYS 129 Ca -0.08 -0.56 -0.27 0.00 -2.55 0.00 0.00 55.97 52.52 1nee s LYS 129 Cb -0.02 0.21 0.03 0.00 -1.05 0.00 0.00 37.83 37.01 1nee s LYS 129 CO -0.00 -0.13 1.14 0.00 1.55 0.00 0.00 175.35 177.91 1nee s ALA 130 N -1.91 2.99 -0.05 3.13 0.00 -0.78 -4.42 121.76 120.73 1nee s ALA 130 Ca -0.11 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 1nee s ALA 130 Cb -0.05 -4.00 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 1nee s ALA 130 CO -0.01 -2.73 0.59 -1.00 0.00 0.00 0.00 175.76 172.61 1nee h PRO 131 N 9.59 -0.33 0.00 0.00 0.13 -1.90 0.04 132.00 139.52 1nee h PRO 131 Ca -0.26 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1nee h PRO 131 Cb 1.06 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nee h PRO 131 CO 1.18 -0.10 0.00 1.47 -0.23 0.00 0.00 178.00 180.33 1nee n LEU 132 N -5.00 -0.28 -4.09 1.56 -0.00 -1.26 -4.12 117.00 103.80 1nee n LEU 132 Ca -0.06 0.12 -0.10 0.00 -0.00 0.00 0.00 56.01 55.97 1nee n LEU 132 Cb 0.20 0.46 -0.08 0.00 -0.00 0.00 0.00 43.42 44.00 1nee n LEU 132 CO 0.16 -0.11 -0.08 -0.54 -0.00 0.00 0.00 177.39 176.82 1nee s LYS 133 N -2.00 1.27 0.14 1.47 1.02 -1.26 -5.18 119.74 115.20 1nee s LYS 133 Ca 0.00 -1.41 0.06 0.00 0.02 0.00 0.00 55.97 54.63 1nee s LYS 133 Cb 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1nee s LYS 133 CO 0.00 -0.46 -0.13 0.54 -0.92 0.00 0.00 175.35 174.38 1nee s ASN 134 N -3.07 2.00 0.00 2.83 4.22 -1.26 -5.17 114.94 114.49 1nee s ASN 134 Ca 0.29 -0.89 0.00 0.00 -2.14 0.00 0.00 52.86 50.11 1nee s ASN 134 Cb 0.04 -0.06 0.00 0.00 1.28 0.00 0.00 41.25 42.51 1nee s ASN 134 CO 0.08 -0.20 0.19 0.55 -2.04 0.00 0.00 177.10 175.68