#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee n ASP 2 N 0.00 2.35 -4.64 6.12 9.92 -1.26 -5.10 116.55 123.94 1nee n ASP 2 Ca 0.00 -2.09 -0.41 0.00 -0.53 0.00 0.00 54.79 51.75 1nee n ASP 2 Cb 0.00 0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.52 1nee n ASP 2 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1nee s ASP 3 N -2.59 6.74 -0.43 -2.24 1.01 -1.26 -5.02 116.67 112.88 1nee s ASP 3 Ca 0.08 0.92 -0.07 0.00 0.71 0.00 0.00 52.55 54.18 1nee s ASP 3 Cb -0.01 -2.40 0.10 0.00 1.01 0.00 0.00 42.92 41.63 1nee s ASP 3 CO 0.05 -0.44 0.27 -0.31 0.21 0.00 0.00 175.17 174.95 1nee s TYR 4 N 2.63 3.43 -0.12 4.23 2.02 -1.26 -5.07 117.35 123.21 1nee s TYR 4 Ca 0.32 -1.88 -0.18 0.00 -0.37 0.00 0.00 57.07 54.95 1nee s TYR 4 Cb -0.15 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 1nee s TYR 4 CO 0.08 -0.93 0.48 -1.21 -1.57 0.00 0.00 175.55 172.39 1nee s GLU 5 N 1.33 4.33 0.15 -0.62 2.02 -1.26 -5.07 118.70 119.58 1nee s GLU 5 Ca 0.05 0.45 0.01 0.00 0.02 0.00 0.00 54.97 55.50 1nee s GLU 5 Cb -0.24 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.56 1nee s GLU 5 CO -0.01 0.17 0.06 1.63 0.02 0.00 0.00 175.26 177.14 1nee n LYS 6 N 3.64 1.43 -3.28 1.61 4.76 -1.26 -5.10 118.16 119.96 1nee n LYS 6 Ca -0.07 -1.01 -0.25 0.00 -2.87 0.00 0.00 58.31 54.10 1nee n LYS 6 Cb 0.52 0.18 -0.07 0.00 -1.84 0.00 0.00 35.03 33.82 1nee n LYS 6 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nee n LEU 7 N 0.00 2.22 -4.88 -0.35 4.32 -1.26 -5.09 117.00 111.95 1nee n LEU 7 Ca -0.03 -5.14 -0.22 0.00 -0.02 0.00 0.00 56.01 50.60 1nee n LEU 7 Cb 0.18 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 41.89 1nee n LEU 7 CO 0.10 2.10 -0.12 -0.22 -1.22 0.00 0.00 177.39 178.03 1nee s LEU 8 N -2.03 4.02 -0.52 2.23 2.96 -1.26 -5.08 118.68 119.01 1nee s LEU 8 Ca 0.39 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 54.03 1nee s LEU 8 Cb 0.18 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 44.42 1nee s LEU 8 CO -0.06 -0.04 0.47 -1.61 -1.32 0.00 0.00 176.35 173.79 1nee s GLU 9 N -3.80 2.99 0.20 1.98 8.01 -1.26 -5.06 118.70 121.76 1nee s GLU 9 Ca 0.33 -1.60 0.05 0.00 0.01 0.00 0.00 54.97 53.76 1nee s GLU 9 Cb -0.09 -4.25 -0.04 0.00 -4.31 0.00 0.00 34.13 25.45 1nee s GLU 9 CO 0.26 -1.24 0.22 -0.98 0.01 0.00 0.00 175.26 173.53 1nee s ARG 10 N 1.62 3.08 -0.59 1.61 1.70 -1.26 -4.55 118.95 120.56 1nee s ARG 10 Ca 0.03 -0.87 -0.03 0.00 -0.47 0.00 0.00 55.73 54.40 1nee s ARG 10 Cb -0.28 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 1nee s ARG 10 CO 0.04 0.46 0.38 0.00 -1.08 0.00 0.00 175.30 175.09 1nee n ALA 11 N -0.81 -0.47 -3.47 7.88 0.00 -1.26 -5.01 120.51 117.36 1nee n ALA 11 Ca -0.08 0.14 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1nee n ALA 11 Cb 0.56 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 1nee n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 12 N -2.97 4.09 0.00 0.00 1.09 -1.26 -4.52 121.20 117.63 1nee s ILE 12 Ca 0.19 -1.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 1nee s ILE 12 Cb -0.08 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1nee s ILE 12 CO 0.23 -0.65 0.00 0.47 -0.10 0.00 0.00 174.94 174.89 1nee n ASP 13 N 4.87 0.00 0.00 3.58 9.92 -1.26 -4.59 116.55 129.07 1nee n ASP 13 Ca -0.08 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.17 1nee n ASP 13 Cb 0.42 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1nee h GLN 14 N 0.00 -0.06 -6.06 -1.24 7.50 -2.00 -3.46 115.11 109.80 1nee h GLN 14 Ca 0.00 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.55 1nee h GLN 14 Cb 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.49 1nee h GLN 14 CO 0.00 -0.04 -0.20 -0.51 -1.50 0.00 0.00 178.83 176.58 1nee s LEU 15 N -6.65 4.44 1.01 1.46 1.43 -1.26 -5.05 118.68 114.05 1nee s LEU 15 Ca -0.01 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.89 1nee s LEU 15 Cb 0.00 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.57 1nee s LEU 15 CO 0.03 0.28 0.36 -0.81 0.23 0.00 0.00 176.35 176.43 1nee n PRO 16 N 1.55 -0.77 0.00 1.29 -0.04 -1.26 -4.14 135.00 131.63 1nee n PRO 16 Ca -0.12 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1nee n PRO 16 Cb 0.52 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.08 0.00 0.00 0.54 -0.04 -1.26 -4.79 135.00 127.36 1nee n PRO 17 Ca 0.05 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1nee n PRO 17 Cb 0.56 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.66 0.00 -2.10 0.54 4.07 -1.26 -4.77 120.64 115.47 1nee n GLU 18 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 1nee n GLU 18 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 1nee n GLU 18 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1nee s VAL 19 N 0.00 2.16 -0.80 6.31 -7.23 -1.26 -4.95 120.40 114.63 1nee s VAL 19 Ca 0.00 -0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 1nee s VAL 19 Cb 0.00 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1nee s VAL 19 CO 0.00 0.00 1.81 0.12 -0.31 0.00 0.00 175.10 176.72 1nee s PHE 20 N -3.39 1.88 -0.06 2.82 5.36 -1.26 -4.91 117.98 118.41 1nee s PHE 20 Ca 0.62 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 1nee s PHE 20 Cb -0.10 -4.18 0.03 0.00 -0.34 0.00 0.00 43.02 38.43 1nee s PHE 20 CO 0.47 -1.99 0.13 -1.83 -1.46 0.00 0.00 175.22 170.54 1nee s GLU 21 N 6.69 0.08 -0.25 10.12 -1.05 -1.26 -5.13 118.70 127.89 1nee s GLU 21 Ca 0.64 0.33 -0.08 0.00 -0.15 0.00 0.00 54.97 55.70 1nee s GLU 21 Cb -0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.41 1nee s GLU 21 CO 0.07 -0.15 0.09 -0.08 0.95 0.00 0.00 175.26 176.14 1nee s THR 22 N 1.05 4.48 0.04 1.83 -1.32 -1.26 -5.03 115.64 115.43 1nee s THR 22 Ca -0.08 -0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1nee s THR 22 Cb -0.11 -3.10 0.01 0.00 -1.51 0.00 0.00 72.50 67.79 1nee s THR 22 CO -0.05 0.33 0.05 0.29 -2.21 0.00 0.00 174.62 173.03 1nee n LYS 23 N 4.94 0.48 -0.76 7.08 5.02 -1.26 -4.98 118.16 128.68 1nee n LYS 23 Ca -0.16 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 55.92 1nee n LYS 23 Cb 0.51 -0.04 0.18 0.00 -0.02 0.00 0.00 35.03 35.66 1nee n LYS 23 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nee n ARG 24 N -1.10 2.49 -3.15 1.97 1.74 -1.26 -4.77 116.66 112.58 1nee n ARG 24 Ca 0.01 -2.08 -0.45 0.00 -0.77 0.00 0.00 57.85 54.56 1nee n ARG 24 Cb 0.03 -1.88 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nee s PHE 25 N -2.23 3.74 -0.25 -1.55 0.08 -1.26 -4.93 117.98 111.59 1nee s PHE 25 Ca 0.38 -2.15 -0.03 0.00 0.12 0.00 0.00 56.93 55.25 1nee s PHE 25 Cb 0.31 -4.05 0.14 0.00 -0.57 0.00 0.00 43.02 38.85 1nee s PHE 25 CO 0.09 -1.18 0.45 -2.00 -0.10 0.00 0.00 175.22 172.47 1nee s GLU 26 N 0.55 0.40 -0.17 0.44 2.12 -1.26 -5.15 118.70 115.64 1nee s GLU 26 Ca 0.32 0.76 -0.10 0.00 0.36 0.00 0.00 54.97 56.30 1nee s GLU 26 Cb -0.07 -0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.31 1nee s GLU 26 CO -0.06 -0.56 0.41 0.08 -0.54 0.00 0.00 175.26 174.59 1nee s VAL 27 N 2.64 -0.02 0.37 3.70 1.01 -1.26 -5.15 120.40 121.70 1nee s VAL 27 Ca 0.12 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 1nee s VAL 27 Cb -0.15 -0.60 -0.12 0.00 0.00 0.00 0.00 36.38 35.51 1nee s VAL 27 CO -0.17 0.03 1.01 -2.65 0.00 0.00 0.00 175.10 173.33 1nee n PRO 28 N 4.03 1.39 -2.67 2.72 -0.02 -1.26 -4.94 135.00 134.25 1nee n PRO 28 Ca -0.22 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1nee n PRO 28 Cb 0.55 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.14 1nee n PRO 28 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nee n LYS 29 N 0.38 0.26 0.00 -0.52 4.81 -1.26 -5.07 118.16 116.77 1nee n LYS 29 Ca 0.09 -0.85 0.00 0.00 -0.87 0.00 0.00 58.31 56.68 1nee n LYS 29 Cb 0.37 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.21 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nee n ALA 30 N 0.26 2.60 -2.23 3.14 0.00 -1.26 -5.14 120.51 117.88 1nee n ALA 30 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1nee n ALA 30 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1nee n ALA 30 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1nee n TYR 31 N -1.90 -2.19 -0.40 0.00 4.11 -1.26 -4.72 117.16 110.80 1nee n TYR 31 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.70 1nee n TYR 31 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 39.34 39.52 1nee n TYR 31 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1nee n SER 32 N -2.01 -2.82 -3.92 9.48 7.64 -1.26 -4.90 113.62 115.83 1nee n SER 32 Ca 0.00 -0.71 -0.10 0.00 1.01 0.00 0.00 58.87 59.07 1nee n SER 32 Cb 0.00 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1nee n SER 32 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nee s VAL 33 N -1.93 0.06 0.32 0.44 1.01 -1.25 -4.94 120.40 114.12 1nee s VAL 33 Ca 0.45 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1nee s VAL 33 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1nee s VAL 33 CO 0.36 -0.28 0.50 -0.63 0.00 0.00 0.00 175.10 175.05 1nee s ILE 34 N -0.85 5.08 -0.31 2.22 1.01 -1.26 -0.89 121.20 126.19 1nee s ILE 34 Ca -0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1nee s ILE 34 Cb -0.06 -3.84 0.19 0.00 0.01 0.00 0.00 42.46 38.76 1nee s ILE 34 CO -0.00 -0.48 0.95 -1.58 0.00 0.00 0.00 174.94 173.82 1nee s GLN 35 N -4.24 0.26 0.00 2.79 0.74 -0.94 -4.88 119.66 113.39 1nee s GLN 35 Ca 0.39 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1nee s GLN 35 Cb -0.09 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1nee s GLN 35 CO 0.34 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 1nee n GLY 36 N 4.78 1.06 0.78 2.59 0.00 -1.26 -2.22 105.19 110.93 1nee n GLY 36 Ca 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 2.37 -0.60 -4.05 1.61 5.15 -1.26 -5.14 115.26 113.34 1nee n ASN 37 Ca 0.00 -1.50 -0.09 0.00 -0.60 0.00 0.00 54.58 52.38 1nee n ASN 37 Cb 0.00 0.18 -0.11 0.00 -0.53 0.00 0.00 39.78 39.32 1nee n ASN 37 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1nee s ARG 38 N 0.00 0.50 -0.21 1.20 3.00 -0.94 -2.66 118.95 119.84 1nee s ARG 38 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 55.73 54.76 1nee s ARG 38 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.94 1nee s ARG 38 CO 0.00 -0.05 0.07 -0.08 0.00 0.00 0.00 175.30 175.24 1nee s THR 39 N -2.40 4.63 -1.07 0.02 -1.32 -0.72 -2.22 115.64 112.55 1nee s THR 39 Ca -0.05 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.23 1nee s THR 39 Cb -0.03 -3.12 0.23 0.00 -1.51 0.00 0.00 72.50 68.07 1nee s THR 39 CO -0.04 0.41 1.14 -0.36 -2.21 0.00 0.00 174.62 173.56 1nee s PHE 40 N 0.87 3.88 -0.08 9.09 0.40 -0.07 -1.77 117.98 130.30 1nee s PHE 40 Ca 0.04 -2.31 -0.30 0.00 -0.60 0.00 0.00 56.93 53.76 1nee s PHE 40 Cb -0.14 -4.00 -0.04 0.00 0.51 0.00 0.00 43.02 39.35 1nee s PHE 40 CO 0.02 -1.12 1.45 0.42 0.70 0.00 0.00 175.22 176.70 1nee s ILE 41 N 0.08 3.86 -0.15 0.64 1.01 -0.76 -3.84 121.20 122.04 1nee s ILE 41 Ca 0.32 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1nee s ILE 41 Cb -0.08 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1nee s ILE 41 CO -0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 174.94 174.67 1nee n GLN 42 N 6.53 0.37 -2.35 2.79 6.02 -1.26 -2.37 117.38 127.11 1nee n GLN 42 Ca 0.15 0.09 -0.33 0.00 -0.01 0.00 0.00 57.00 56.90 1nee n GLN 42 Cb 0.44 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.43 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nee n ASN 43 N -2.99 6.01 -0.21 1.08 3.02 -1.26 -4.83 115.26 116.09 1nee n ASN 43 Ca -0.27 -3.76 0.30 0.00 -0.03 0.00 0.00 54.58 50.83 1nee n ASN 43 Cb 0.77 -0.77 0.64 0.00 -0.61 0.00 0.00 39.78 39.81 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nee h PHE 44 N 2.96 0.00 0.19 3.10 3.57 -1.97 0.64 116.94 125.43 1nee h PHE 44 Ca 0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1nee h PHE 44 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1nee h PHE 44 CO 1.01 0.00 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.91 1nee h ARG 45 N 0.00 -0.25 -0.24 1.11 9.65 -1.98 -1.37 114.38 121.30 1nee h ARG 45 Ca 0.47 0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 59.17 1nee h ARG 45 Cb 2.38 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 31.02 1nee h ARG 45 CO -0.00 0.12 -0.63 1.49 2.80 0.00 0.00 179.97 183.74 1nee h GLU 46 N -0.94 0.84 -0.60 0.20 4.57 -1.39 -2.65 114.58 114.61 1nee h GLU 46 Ca -0.03 -0.59 -0.07 0.00 -1.18 0.00 0.00 59.36 57.49 1nee h GLU 46 Cb 0.48 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1nee h GLU 46 CO 0.04 1.22 0.09 0.28 -1.18 0.00 0.00 179.01 179.46 1nee h VAL 47 N 0.61 1.26 -0.25 0.32 2.07 0.03 -2.49 116.25 117.81 1nee h VAL 47 Ca -0.01 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1nee h VAL 47 Cb 1.25 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1nee h VAL 47 CO 0.14 0.37 0.09 0.00 0.02 0.00 0.00 177.57 178.19 1nee h ALA 48 N 1.01 0.32 0.26 1.67 0.00 -1.25 0.25 119.26 121.52 1nee h ALA 48 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nee h ALA 48 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nee h ALA 48 CO 0.01 -0.07 -0.16 0.22 0.00 0.00 0.00 179.25 179.25 1nee h ASP 49 N 0.24 -0.42 -0.48 0.00 3.58 -1.40 0.35 116.42 118.29 1nee h ASP 49 Ca 0.08 0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.64 1nee h ASP 49 Cb 0.21 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.31 1nee h ASP 49 CO -0.00 -0.25 0.05 0.00 -2.88 0.00 0.00 179.24 176.15 1nee h ALA 50 N -1.64 0.50 0.00 -0.78 0.00 -1.51 0.33 119.26 116.15 1nee h ALA 50 Ca -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nee h ALA 50 Cb 0.32 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nee h ALA 50 CO 0.03 -0.35 -0.20 1.25 0.00 0.00 0.00 179.25 179.98 1nee h LEU 51 N 0.17 0.00 -5.72 0.00 5.85 -0.91 -3.28 115.31 111.42 1nee h LEU 51 Ca 0.24 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.17 1nee h LEU 51 Cb 0.34 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.19 1nee h LEU 51 CO -0.36 0.20 -0.01 0.20 -0.34 0.00 0.00 178.44 178.13 1nee s ASN 52 N -6.57 -0.26 0.25 1.25 0.01 0.12 -4.44 114.94 105.31 1nee s ASN 52 Ca -0.03 -0.02 0.15 0.00 -0.71 0.00 0.00 52.86 52.25 1nee s ASN 52 Cb 0.14 0.88 0.91 0.00 0.41 0.00 0.00 41.25 43.59 1nee s ASN 52 CO 0.65 -0.04 1.05 -1.14 -1.51 0.00 0.00 177.10 176.11 1nee n ARG 53 N 4.59 -0.04 -3.04 -0.60 0.63 1.00 -4.12 116.66 115.08 1nee n ARG 53 Ca 0.08 0.91 -0.39 0.00 -0.92 0.00 0.00 57.85 57.53 1nee n ARG 53 Cb 0.60 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 1nee n ARG 53 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1nee s ASP 54 N -4.65 7.28 0.05 6.15 1.11 -1.26 -4.74 116.67 120.61 1nee s ASP 54 Ca -0.06 1.52 -0.18 0.00 0.18 0.00 0.00 52.55 54.01 1nee s ASP 54 Cb 0.22 -2.46 -0.15 0.00 1.07 0.00 0.00 42.92 41.60 1nee s ASP 54 CO 0.52 0.18 1.29 1.55 1.18 0.00 0.00 175.17 179.89 1nee h PRO 55 N 4.68 0.53 -0.53 8.23 0.13 -1.90 -3.23 132.00 139.90 1nee h PRO 55 Ca -0.47 -0.37 -0.04 0.00 -0.87 0.00 0.00 66.00 64.25 1nee h PRO 55 Cb 1.21 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1nee h PRO 55 CO 0.67 0.99 0.16 1.96 -0.23 0.00 0.00 178.00 181.54 1nee h GLN 56 N 0.16 0.79 -0.01 0.86 1.08 -1.94 -1.75 115.11 114.30 1nee h GLN 56 Ca -0.01 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1nee h GLN 56 Cb 1.00 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1nee h GLN 56 CO 0.08 0.69 0.01 1.25 -0.95 0.00 0.00 178.83 179.91 1nee h HIS 57 N 0.77 0.00 0.22 2.96 2.76 -1.90 0.70 115.15 120.66 1nee h HIS 57 Ca 0.18 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.02 1nee h HIS 57 Cb 0.23 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.22 1nee h HIS 57 CO 0.01 0.00 -1.46 1.25 -1.30 0.00 0.00 177.93 176.43 1nee h LEU 58 N 0.00 0.72 -0.68 0.26 5.85 -1.37 -2.77 115.31 117.32 1nee h LEU 58 Ca 0.00 -0.80 -0.14 0.00 0.84 0.00 0.00 57.88 57.78 1nee h LEU 58 Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1nee h LEU 58 CO -0.00 1.63 -0.60 -0.07 -0.34 0.00 0.00 178.44 179.07 1nee h LEU 59 N 0.13 0.24 0.19 2.25 3.38 -0.96 -0.51 115.31 120.01 1nee h LEU 59 Ca -0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1nee h LEU 59 Cb 2.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1nee h LEU 59 CO 0.25 0.78 -0.09 0.11 0.09 0.00 0.00 178.44 179.58 1nee h LYS 60 N 0.16 -0.24 -0.91 1.13 1.79 -1.00 -2.62 116.57 114.87 1nee h LYS 60 Ca -0.01 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1nee h LYS 60 Cb 1.09 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 1nee h LYS 60 CO 0.09 0.16 0.52 0.74 -1.08 0.00 0.00 179.45 179.88 1nee h PHE 61 N -0.87 1.23 0.44 -1.35 0.04 -1.55 0.11 116.94 114.99 1nee h PHE 61 Ca -0.03 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1nee h PHE 61 Cb 0.51 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1nee h PHE 61 CO 0.07 0.83 -0.33 1.25 -0.60 0.00 0.00 178.31 179.54 1nee h LEU 62 N 1.27 -0.85 -0.99 1.54 6.46 -1.16 -1.07 115.31 120.51 1nee h LEU 62 Ca 0.32 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 58.04 1nee h LEU 62 Cb -0.01 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1nee h LEU 62 CO -0.06 -0.49 -0.40 -0.07 -0.62 0.00 0.00 178.44 176.80 1nee h LEU 63 N -0.76 0.21 -1.17 2.25 3.38 -1.34 0.32 115.31 118.21 1nee h LEU 63 Ca -0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1nee h LEU 63 Cb 0.64 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1nee h LEU 63 CO 0.01 0.60 0.47 -0.09 0.09 0.00 0.00 178.44 179.52 1nee h ARG 64 N 0.17 1.04 0.00 1.13 1.12 -0.49 -2.91 114.38 114.44 1nee h ARG 64 Ca 0.02 -0.09 -0.19 0.00 -1.11 0.00 0.00 59.98 58.61 1nee h ARG 64 Cb 0.79 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.50 1nee h ARG 64 CO 0.06 0.72 -1.74 -1.91 -3.11 0.00 0.00 179.97 173.99 1nee n GLU 65 N -4.39 0.64 -1.68 0.20 2.13 -0.43 -4.85 120.64 112.26 1nee n GLU 65 Ca 0.08 0.11 -0.39 0.00 0.66 0.00 0.00 57.16 57.62 1nee n GLU 65 Cb 0.06 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.04 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1nee s LEU 66 N -5.52 3.41 0.00 4.31 1.02 0.11 -4.53 118.68 117.47 1nee s LEU 66 Ca -0.05 1.21 0.27 0.00 0.02 0.00 0.00 54.13 55.58 1nee s LEU 66 Cb 0.09 -2.88 1.44 0.00 0.02 0.00 0.00 46.19 44.86 1nee s LEU 66 CO 0.83 -2.45 1.94 0.61 0.02 0.00 0.00 176.35 177.30 1nee n GLY 67 N 5.84 -1.11 3.63 -3.19 0.00 -1.26 -4.81 105.19 104.29 1nee n GLY 67 Ca 0.31 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.44 2.10 0.02 2.61 -4.23 -1.26 -5.06 115.64 107.38 1nee s THR 68 Ca 0.29 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1nee s THR 68 Cb 0.18 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1nee s THR 68 CO 0.39 -0.03 0.85 0.00 -0.54 0.00 0.00 174.62 175.29 1nee n ALA 69 N -0.99 -0.08 -0.32 3.99 0.00 -1.26 -4.79 120.51 117.06 1nee n ALA 69 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nee n ALA 69 Cb 0.66 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.03 -1.14 3.66 0.00 0.00 -1.21 -4.98 105.19 100.49 1nee n GLY 70 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.37 1.61 2.47 -1.26 -4.88 114.94 112.21 1nee s ASN 71 Ca 0.00 -0.28 -0.21 0.00 0.42 0.00 0.00 52.86 52.78 1nee s ASN 71 Cb 0.00 0.52 0.01 0.00 -1.45 0.00 0.00 41.25 40.33 1nee s ASN 71 CO 0.00 -0.92 0.69 -0.76 -3.72 0.00 0.00 177.10 172.39 1nee s LEU 72 N -2.79 4.23 0.20 3.21 2.01 -1.26 -2.24 118.68 122.04 1nee s LEU 72 Ca 0.09 0.17 0.05 0.00 0.01 0.00 0.00 54.13 54.44 1nee s LEU 72 Cb -0.02 -2.87 -0.04 0.00 0.01 0.00 0.00 46.19 43.27 1nee s LEU 72 CO -0.02 -0.67 0.23 -1.61 1.01 0.00 0.00 176.35 175.29 1nee s GLU 73 N 2.88 3.13 0.29 1.70 8.01 -0.45 -4.72 118.70 129.54 1nee s GLU 73 Ca 0.27 -0.84 0.00 0.00 0.01 0.00 0.00 54.97 54.41 1nee s GLU 73 Cb -0.14 -2.74 0.00 0.00 -4.31 0.00 0.00 34.13 26.94 1nee s GLU 73 CO 0.16 0.46 0.00 0.41 0.01 0.00 0.00 175.26 176.30 1nee n GLY 74 N -0.83 -1.64 0.32 -1.39 0.00 -1.26 -2.31 105.19 98.09 1nee n GLY 74 Ca -0.08 -0.96 0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.15 0.00 0.00 -0.02 0.00 -2.01 -3.42 103.07 96.46 1nee h GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1nee h GLY 75 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 1nee n ARG 76 N -4.18 2.85 -3.73 4.80 5.12 -1.25 -5.03 116.66 115.25 1nee n ARG 76 Ca 0.02 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.61 1nee n ARG 76 Cb 0.30 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.52 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 3.68 -3.08 7.54 0.00 -1.00 -4.23 120.51 120.42 1nee n ALA 77 Ca 0.00 -4.58 -0.45 0.00 0.00 0.00 0.00 53.44 48.41 1nee n ALA 77 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.43 4.98 0.65 0.00 1.09 -0.98 -1.83 121.20 123.68 1nee s ILE 78 Ca 0.27 -1.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 1nee s ILE 78 Cb -0.06 -4.62 0.13 0.00 -1.06 0.00 0.00 42.46 36.85 1nee s ILE 78 CO -0.14 -1.28 0.90 0.00 -0.10 0.00 0.00 174.94 174.32 1nee n LEU 79 N 5.82 0.00 -3.69 2.97 -0.00 -0.73 -1.34 117.00 120.02 1nee n LEU 79 Ca 0.12 -1.94 -0.23 0.00 -0.00 0.00 0.00 56.01 53.96 1nee n LEU 79 Cb 0.47 -0.57 -0.18 0.00 -0.00 0.00 0.00 43.42 43.14 1nee n LEU 79 CO 0.48 -0.93 -0.35 -1.58 -0.00 0.00 0.00 177.39 175.01 1nee s GLN 80 N -4.83 0.21 0.00 1.47 0.74 -1.26 -1.76 119.66 114.23 1nee s GLN 80 Ca 0.60 0.14 0.00 0.00 0.05 0.00 0.00 55.36 56.15 1nee s GLN 80 Cb -0.03 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 33.04 1nee s GLN 80 CO 0.40 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 1nee n GLY 81 N 5.23 -0.69 0.92 2.59 0.00 -1.09 -3.36 105.19 108.79 1nee n GLY 81 Ca -0.05 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 1nee n GLY 81 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nee n LYS 82 N 0.00 0.06 -0.71 1.61 -0.00 -1.26 -4.52 118.16 113.35 1nee n LYS 82 Ca 0.00 -0.64 -0.09 0.00 -0.00 0.00 0.00 58.31 57.59 1nee n LYS 82 Cb 0.00 0.48 -0.12 0.00 -0.00 0.00 0.00 35.03 35.40 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 -0.07 0.02 -1.32 5.58 3.72 -1.26 -4.69 117.46 119.44 1nee n PHE 83 Ca -0.17 -1.07 -0.41 0.00 -0.05 0.00 0.00 57.45 55.75 1nee n PHE 83 Cb 0.55 -1.25 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1nee n THR 84 N 2.67 2.51 -3.78 4.37 -2.24 -1.26 -4.29 114.28 112.25 1nee n THR 84 Ca 0.31 -2.09 -0.28 0.00 -2.27 0.00 0.00 64.05 59.71 1nee n THR 84 Cb 0.64 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.42 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 6.62 -1.59 0.00 4.78 1.44 -1.26 -4.85 115.22 120.35 1nee n HIS 85 Ca 0.51 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.74 1nee n HIS 85 Cb 0.37 -2.21 0.00 0.00 0.12 0.00 0.00 29.99 28.28 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 -3.80 0.00 0.02 -1.40 3.72 -1.26 -4.06 117.46 110.68 1nee n PHE 86 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.32 1nee n PHE 86 Cb 0.49 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.05 0.60 4.37 7.12 -1.89 -1.97 115.31 123.49 1nee h LEU 87 Ca 0.00 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.62 1nee h LEU 87 Cb 0.00 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1nee h LEU 87 CO 0.00 0.35 -0.36 0.40 -0.13 0.00 0.00 178.44 178.69 1nee h ILE 88 N -0.45 0.00 -0.39 4.05 2.04 -1.90 -0.96 117.51 119.91 1nee h ILE 88 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1nee h ILE 88 Cb 0.41 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1nee h ILE 88 CO 0.01 0.00 0.13 -1.13 0.00 0.00 0.00 178.15 177.15 1nee h ASN 89 N -0.90 0.12 0.67 1.72 -1.24 -1.71 -0.58 115.58 113.66 1nee h ASN 89 Ca -0.08 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1nee h ASN 89 Cb 0.72 0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.81 1nee h ASN 89 CO 0.09 0.10 -0.32 -0.08 -1.29 0.00 0.00 177.43 175.93 1nee h GLU 90 N 0.28 -0.87 -0.20 6.67 4.22 -1.37 0.19 114.58 123.50 1nee h GLU 90 Ca 0.18 0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.73 1nee h GLU 90 Cb 0.17 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1nee h GLU 90 CO -0.19 -0.56 -0.15 0.00 -2.18 0.00 0.00 179.01 175.93 1nee h ARG 91 N -0.95 -0.14 -0.06 1.92 2.47 -1.13 -1.21 114.38 115.27 1nee h ARG 91 Ca -0.09 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1nee h ARG 91 Cb 0.71 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 29.00 1nee h ARG 91 CO 0.15 -0.10 -0.39 0.82 0.56 0.00 0.00 179.97 181.01 1nee h ILE 92 N -0.15 0.18 -1.14 2.04 2.04 -1.05 0.11 117.51 119.54 1nee h ILE 92 Ca 0.12 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.30 1nee h ILE 92 Cb 0.32 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1nee h ILE 92 CO -0.29 0.00 0.79 -0.33 0.00 0.00 0.00 178.15 178.33 1nee h GLU 93 N -0.51 0.13 -0.24 2.37 4.39 -0.33 0.49 114.58 120.87 1nee h GLU 93 Ca 0.07 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1nee h GLU 93 Cb 0.62 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1nee h GLU 93 CO -0.34 0.08 -0.63 0.22 -1.16 0.00 0.00 179.01 177.18 1nee h ASP 94 N 0.13 0.97 0.00 1.42 3.58 0.38 -1.92 116.42 120.98 1nee h ASP 94 Ca 0.58 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1nee h ASP 94 Cb 2.03 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 1nee h ASP 94 CO -0.12 1.37 -0.37 0.22 -2.88 0.00 0.00 179.24 177.45 1nee h TYR 95 N 0.62 0.00 -0.67 0.28 5.03 0.11 -3.00 116.97 119.35 1nee h TYR 95 Ca -0.01 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.36 1nee h TYR 95 Cb 1.25 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.47 1nee h TYR 95 CO 0.08 0.10 0.37 -0.24 -1.32 0.00 0.00 178.16 177.15 1nee h VAL 96 N -1.00 0.96 -1.84 1.81 3.04 -0.38 -2.82 116.25 116.03 1nee h VAL 96 Ca -0.02 -0.23 -0.68 0.00 -1.01 0.00 0.00 66.70 64.76 1nee h VAL 96 Cb 0.40 0.22 -0.35 0.00 -2.01 0.00 0.00 31.29 29.55 1nee h VAL 96 CO -0.01 0.12 0.13 0.59 -1.01 0.00 0.00 177.57 177.39 1nee n ASN 97 N -4.79 6.02 0.01 3.17 3.02 -0.72 -4.66 115.26 117.31 1nee n ASN 97 Ca 0.09 -3.76 0.14 0.00 -0.03 0.00 0.00 54.58 51.01 1nee n ASN 97 Cb 0.18 -0.77 0.58 0.00 -0.61 0.00 0.00 39.78 39.17 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1nee n LYS 98 N -0.45 0.03 -0.03 3.52 2.85 -1.06 -2.77 118.16 120.25 1nee n LYS 98 Ca 0.45 0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.63 1nee n LYS 98 Cb 0.43 -1.54 -0.10 0.00 -0.65 0.00 0.00 35.03 33.18 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1nee h PHE 99 N 0.00 -0.05 0.00 5.58 -5.15 -1.86 0.71 116.94 116.18 1nee h PHE 99 Ca 0.00 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1nee h PHE 99 Cb 0.52 0.02 0.00 0.00 0.22 0.00 0.00 35.95 36.71 1nee h PHE 99 CO 0.00 0.60 0.00 1.33 -2.00 0.00 0.00 178.31 178.24 1nee n VAL 100 N -4.75 0.08 -0.06 0.88 0.24 -1.24 -1.16 118.33 112.34 1nee n VAL 100 Ca -0.08 0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1nee n VAL 100 Cb 0.33 -0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 32.11 1nee n VAL 100 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1nee n ILE 101 N -1.37 0.62 1.19 1.34 5.41 -1.12 -4.68 119.36 120.75 1nee n ILE 101 Ca 0.11 -0.17 0.13 0.00 1.00 0.00 0.00 62.75 63.81 1nee n ILE 101 Cb 0.27 -1.50 0.29 0.00 -0.71 0.00 0.00 39.64 37.99 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nee n HIS 103 N -0.45 -1.78 -3.35 0.00 8.25 -0.31 -4.00 115.22 113.59 1nee n HIS 103 Ca 0.12 0.75 -0.22 0.00 -0.26 0.00 0.00 57.72 58.11 1nee n HIS 103 Cb 0.38 -4.43 0.02 0.00 1.12 0.00 0.00 29.99 27.07 1nee n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1nee n GLU 104 N -3.47 -1.85 -0.47 -0.41 0.28 -1.12 -4.72 120.64 108.88 1nee n GLU 104 Ca -0.22 1.44 -0.09 0.00 -0.16 0.00 0.00 57.16 58.13 1nee n GLU 104 Cb 0.63 -3.59 -0.05 0.00 1.43 0.00 0.00 31.44 29.86 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nee n ASN 106 N 3.30 0.00 -3.05 0.00 4.13 -1.26 -4.63 115.26 113.75 1nee n ASN 106 Ca 0.23 0.02 -0.36 0.00 1.68 0.00 0.00 54.58 56.16 1nee n ASN 106 Cb 0.30 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.55 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 -0.06 3.77 -1.59 3.52 3.00 -1.26 -5.06 116.66 118.97 1nee n ARG 107 Ca 0.00 -4.28 -0.41 0.00 -0.01 0.00 0.00 57.85 53.15 1nee n ARG 107 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 32.46 30.16 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 -0.34 1.20 -1.12 5.56 -0.02 -1.26 -4.85 135.00 134.17 1nee n PRO 108 Ca 0.45 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 62.16 1nee n PRO 108 Cb 0.35 -1.99 -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 -0.40 1.98 0.00 0.00 175.50 177.08 1nee n ASP 109 N 0.45 6.46 -3.79 2.55 5.68 -1.26 -4.86 116.55 121.78 1nee n ASP 109 Ca 0.10 -3.12 -0.20 0.00 -0.50 0.00 0.00 54.79 51.07 1nee n ASP 109 Cb 0.40 -1.13 -0.09 0.00 -1.14 0.00 0.00 41.12 39.17 1nee n ASP 109 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1nee s THR 110 N -2.23 0.24 -0.70 2.12 -1.32 -1.26 -5.09 115.64 107.39 1nee s THR 110 Ca 0.43 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.69 1nee s THR 110 Cb 0.30 -2.47 0.08 0.00 -1.51 0.00 0.00 72.50 68.91 1nee s THR 110 CO -0.08 0.00 0.97 -0.60 -2.21 0.00 0.00 174.62 172.70 1nee s ARG 111 N -3.67 3.19 -0.08 7.08 6.06 -1.26 -5.01 118.95 125.25 1nee s ARG 111 Ca 0.35 -1.04 -0.13 0.00 -2.50 0.00 0.00 55.73 52.40 1nee s ARG 111 Cb 0.03 -4.36 -0.05 0.00 0.06 0.00 0.00 34.95 30.63 1nee s ARG 111 CO 0.20 -1.79 0.33 0.96 -2.50 0.00 0.00 175.30 172.51 1nee s ILE 112 N 3.71 5.22 -0.02 4.11 -4.36 -1.26 -4.82 121.20 123.78 1nee s ILE 112 Ca 0.23 0.65 0.00 0.00 -0.26 0.00 0.00 60.65 61.27 1nee s ILE 112 Cb -0.15 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.93 1nee s ILE 112 CO 0.06 0.50 0.02 -0.63 0.24 0.00 0.00 174.94 175.13 1nee s ILE 113 N -0.40 0.00 -0.02 8.37 -1.09 -1.26 -5.01 121.20 121.78 1nee s ILE 113 Ca 0.20 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1nee s ILE 113 Cb -0.15 -0.10 0.01 0.00 -1.58 0.00 0.00 42.46 40.65 1nee s ILE 113 CO 0.08 0.07 -0.05 0.00 -1.23 0.00 0.00 174.94 173.82 1nee s ARG 114 N 0.74 0.64 0.02 2.79 3.03 -1.26 -2.44 118.95 122.47 1nee s ARG 114 Ca -0.06 -0.14 0.01 0.00 2.03 0.00 0.00 55.73 57.56 1nee s ARG 114 Cb -0.09 -0.65 -0.02 0.00 -1.03 0.00 0.00 34.95 33.16 1nee s ARG 114 CO -0.02 0.01 -0.04 -2.00 -1.13 0.00 0.00 175.30 172.12 1nee s GLU 115 N 0.45 0.33 0.00 3.89 2.12 -0.90 -4.89 118.70 119.70 1nee s GLU 115 Ca -0.06 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1nee s GLU 115 Cb -0.09 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1nee s GLU 115 CO -0.00 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1nee n GLY 116 N 1.96 1.46 3.56 -1.50 0.00 -1.26 -1.65 105.19 107.77 1nee n GLY 116 Ca -0.20 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.54 -4.11 -2.55 1.61 1.74 -1.26 -3.52 116.66 108.03 1nee n ARG 117 Ca 0.00 0.68 -0.04 0.00 -0.77 0.00 0.00 57.85 57.72 1nee n ARG 117 Cb 0.03 -5.26 0.02 0.00 -1.02 0.00 0.00 32.46 26.24 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 -4.03 -6.70 0.00 0.55 5.41 -1.26 -4.78 119.36 108.55 1nee n ILE 118 Ca -0.22 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.10 1nee n ILE 118 Cb 0.65 -5.56 0.00 0.00 -0.71 0.00 0.00 39.64 34.02 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 -1.92 0.00 -4.29 4.38 2.88 -1.23 -4.47 113.62 108.97 1nee n SER 119 Ca -0.02 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.27 1nee n SER 119 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.23 2.26 -0.18 2.46 1.43 -0.66 -5.00 118.68 117.76 1nee s LEU 120 Ca 0.00 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1nee s LEU 120 Cb 0.00 -0.95 0.13 0.00 0.03 0.00 0.00 46.19 45.41 1nee s LEU 120 CO 0.00 0.10 1.04 -0.22 0.23 0.00 0.00 176.35 177.50 1nee s LEU 121 N -1.68 -0.34 0.03 1.79 2.96 -0.58 -2.11 118.68 118.75 1nee s LEU 121 Ca 0.07 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 1nee s LEU 121 Cb -0.10 1.78 -0.03 0.00 0.50 0.00 0.00 46.19 48.34 1nee s LEU 121 CO 0.04 -0.30 -0.21 -1.59 -1.32 0.00 0.00 176.35 172.96 1nee s LYS 122 N -1.05 2.01 -0.39 1.98 -2.85 -1.02 -1.75 119.74 116.67 1nee s LYS 122 Ca -0.00 -1.01 0.08 0.00 -1.00 0.00 0.00 55.97 54.04 1nee s LYS 122 Cb -0.01 -2.12 0.25 0.00 -2.06 0.00 0.00 37.83 33.90 1nee s LYS 122 CO 0.00 0.54 0.54 0.00 0.10 0.00 0.00 175.35 176.53 1nee h GLU 124 N 3.95 0.00 0.00 0.00 4.22 -1.88 -0.99 114.58 119.89 1nee h GLU 124 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1nee h GLU 124 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1nee h GLU 124 CO 0.46 0.15 0.00 0.00 -2.18 0.00 0.00 179.01 177.44 1nee n ALA 125 N -2.27 0.00 -0.88 2.92 0.00 -1.26 -4.39 120.51 114.63 1nee n ALA 125 Ca -0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1nee n ALA 125 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 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 3.41 0.93 3.32 0.00 0.00 -1.23 -4.85 105.19 106.78 1nee n GLY 127 Ca 0.50 -1.23 -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 -1.04 0.02 4.61 0.00 -0.38 -4.09 121.76 118.89 1nee s ALA 128 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 1nee s ALA 128 Cb 0.00 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1nee s ALA 128 CO 0.00 -0.37 0.38 0.15 0.00 0.00 0.00 175.76 175.91 1nee s LYS 129 N -1.86 0.83 -0.59 0.00 -0.14 -1.25 -4.61 119.74 112.12 1nee s LYS 129 Ca -0.09 -0.31 -0.27 0.00 -1.36 0.00 0.00 55.97 53.94 1nee s LYS 129 Cb -0.02 0.37 0.03 0.00 -1.68 0.00 0.00 37.83 36.53 1nee s LYS 129 CO 0.02 -0.27 1.16 0.00 -0.76 0.00 0.00 175.35 175.50 1nee s ALA 130 N -2.09 3.00 -0.03 5.17 0.00 -0.71 -4.10 121.76 122.99 1nee s ALA 130 Ca -0.08 -0.95 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 1nee s ALA 130 Cb -0.02 -4.01 -0.18 0.00 0.00 0.00 0.00 23.12 18.92 1nee s ALA 130 CO 0.00 -2.68 1.10 -1.00 0.00 0.00 0.00 175.76 173.19 1nee h PRO 131 N 9.55 -0.18 0.00 0.00 0.13 -1.90 -1.53 132.00 138.07 1nee h PRO 131 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1nee h PRO 131 Cb 1.06 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1nee h PRO 131 CO 1.18 0.25 -0.00 -0.11 -0.23 0.00 0.00 178.00 179.09 1nee n LEU 132 N -4.95 0.02 0.04 1.56 0.00 -1.26 -4.17 117.00 108.25 1nee n LEU 132 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1nee n LEU 132 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.62 1nee n LEU 132 CO 0.30 -0.50 0.00 0.29 0.00 0.00 0.00 177.39 177.47 1nee n LYS 133 N -2.52 0.00 -4.16 1.96 5.02 -1.26 -5.04 118.16 112.15 1nee n LYS 133 Ca -0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1nee n LYS 133 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1nee n LYS 133 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1nee s ASN 134 N -2.00 1.19 0.00 4.39 3.84 -1.26 -5.08 114.94 116.02 1nee s ASN 134 Ca 0.00 -0.92 0.31 0.00 0.21 0.00 0.00 52.86 52.46 1nee s ASN 134 Cb 0.00 0.07 1.70 0.00 -0.55 0.00 0.00 41.25 42.47 1nee s ASN 134 CO 0.00 -0.40 2.11 0.55 -2.79 0.00 0.00 177.10 176.58