#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 5.53 -0.16 3.17 2.15 -1.26 -5.06 116.67 121.04 1nee s ASP 2 Ca 0.00 -0.47 -0.15 0.00 0.43 0.00 0.00 52.55 52.36 1nee s ASP 2 Cb 0.00 -0.75 -0.23 0.00 -0.30 0.00 0.00 42.92 41.64 1nee s ASP 2 CO 0.00 -0.65 0.31 0.44 -0.17 0.00 0.00 175.17 175.09 1nee h ASP 3 N 0.82 0.22 -1.23 -0.34 5.19 -2.05 -3.43 116.42 115.60 1nee h ASP 3 Ca -0.42 -0.73 -0.48 0.00 -0.62 0.00 0.00 57.03 54.78 1nee h ASP 3 Cb 1.27 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 40.64 1nee h ASP 3 CO 0.50 1.67 1.17 -0.31 -3.12 0.00 0.00 179.24 179.15 1nee s TYR 4 N -2.46 2.17 -0.59 4.55 1.51 -1.26 -4.94 117.35 116.34 1nee s TYR 4 Ca -0.25 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.44 1nee s TYR 4 Cb 0.06 -4.41 0.03 0.00 -0.11 0.00 0.00 41.96 37.53 1nee s TYR 4 CO 0.68 -1.93 1.18 -2.00 -1.11 0.00 0.00 175.55 172.37 1nee s GLU 5 N 5.96 3.48 0.04 -0.62 -6.30 -1.26 -5.00 118.70 115.00 1nee s GLU 5 Ca 0.55 0.18 0.05 0.00 -2.50 0.00 0.00 54.97 53.25 1nee s GLU 5 Cb -0.04 -4.03 -0.04 0.00 0.00 0.00 0.00 34.13 30.02 1nee s GLU 5 CO -0.01 -1.69 -0.10 -1.59 0.02 0.00 0.00 175.26 171.89 1nee s LYS 6 N 4.93 2.34 -0.03 4.30 -2.85 -1.26 -5.08 119.74 122.08 1nee s LYS 6 Ca 0.42 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 1nee s LYS 6 Cb -0.08 -2.38 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 1nee s LYS 6 CO 0.24 0.56 1.54 -0.48 0.10 0.00 0.00 175.35 177.31 1nee s LEU 7 N -1.67 4.31 -0.17 2.77 2.34 -1.26 -4.88 118.68 120.12 1nee s LEU 7 Ca 0.18 2.17 0.09 0.00 0.06 0.00 0.00 54.13 56.63 1nee s LEU 7 Cb -0.11 -3.55 -0.17 0.00 -0.56 0.00 0.00 46.19 41.81 1nee s LEU 7 CO 0.09 -0.84 -0.04 0.18 -1.06 0.00 0.00 176.35 174.68 1nee n LEU 8 N 6.36 1.17 -3.58 1.48 4.32 -1.26 -5.03 117.00 120.47 1nee n LEU 8 Ca 0.15 -0.04 -0.20 0.00 -0.02 0.00 0.00 56.01 55.91 1nee n LEU 8 Cb 0.43 -0.04 0.06 0.00 -1.62 0.00 0.00 43.42 42.25 1nee n LEU 8 CO 0.61 0.56 0.04 -0.62 -1.22 0.00 0.00 177.39 176.75 1nee n GLU 9 N -2.77 -5.91 -3.30 3.23 4.71 -1.26 -4.93 120.64 110.41 1nee n GLU 9 Ca -0.29 0.74 -0.46 0.00 -0.01 0.00 0.00 57.16 57.14 1nee n GLU 9 Cb 0.95 -5.55 -0.01 0.00 -1.01 0.00 0.00 31.44 25.82 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1nee s ARG 10 N -5.73 3.87 -1.89 3.49 3.52 -1.26 -4.52 118.95 116.43 1nee s ARG 10 Ca 0.06 -2.75 0.00 0.00 -0.13 0.00 0.00 55.73 52.92 1nee s ARG 10 Cb -0.03 -4.53 0.00 0.00 -1.56 0.00 0.00 34.95 28.83 1nee s ARG 10 CO 0.77 -1.31 0.00 0.00 -0.81 0.00 0.00 175.30 173.95 1nee n ALA 11 N 3.65 -0.37 0.24 6.12 0.00 -1.26 -4.84 120.51 124.04 1nee n ALA 11 Ca 0.19 0.26 0.12 0.00 0.00 0.00 0.00 53.44 54.01 1nee n ALA 11 Cb 0.44 -1.96 0.08 0.00 0.00 0.00 0.00 19.45 18.01 1nee n ALA 11 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1nee h ILE 12 N 0.00 0.00 0.00 0.00 6.09 -1.83 -3.39 117.51 118.38 1nee h ILE 12 Ca -0.41 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.21 1nee h ILE 12 Cb 1.27 1.50 0.00 0.00 0.47 0.00 0.00 36.82 40.05 1nee h ILE 12 CO 0.56 0.00 0.00 -0.67 -3.07 0.00 0.00 178.15 174.97 1nee n ASP 13 N -2.62 0.00 0.03 2.19 2.03 -1.26 -4.79 116.55 112.12 1nee n ASP 13 Ca 0.02 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.15 1nee n ASP 13 Cb 0.52 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 1nee n ASP 13 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1nee h GLN 14 N 0.00 0.66 -6.18 -0.67 -0.00 -1.85 -3.46 115.11 103.60 1nee h GLN 14 Ca 0.00 -0.64 -0.50 0.00 -0.00 0.00 0.00 58.65 57.52 1nee h GLN 14 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 27.48 27.62 1nee h GLN 14 CO 0.00 1.24 -0.36 -0.51 0.00 0.00 0.00 178.83 179.20 1nee s LEU 15 N -8.12 3.35 0.79 -2.39 1.43 -1.26 -5.00 118.68 107.48 1nee s LEU 15 Ca -0.09 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.08 1nee s LEU 15 Cb 0.08 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 1nee s LEU 15 CO 0.90 -0.71 0.07 -0.81 0.23 0.00 0.00 176.35 176.04 1nee n PRO 16 N -1.59 0.07 0.00 1.29 -0.04 -1.26 -4.67 135.00 128.80 1nee n PRO 16 Ca 0.04 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1nee n PRO 16 Cb 0.62 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.26 0.00 0.00 0.54 -0.04 -1.26 -4.69 135.00 129.81 1nee n PRO 17 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1nee n PRO 17 Cb 0.52 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1nee n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nee n GLU 18 N -0.04 0.00 -0.46 0.54 4.71 -1.26 -0.59 120.64 123.54 1nee n GLU 18 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1nee n GLU 18 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 31.44 30.58 1nee n GLU 18 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1nee n VAL 19 N 0.00 1.52 -2.47 2.62 3.14 -1.26 -4.92 118.33 116.96 1nee n VAL 19 Ca 0.00 -0.72 -0.41 0.00 -2.96 0.00 0.00 64.34 60.25 1nee n VAL 19 Cb 0.00 -0.53 -0.04 0.00 -1.06 0.00 0.00 33.84 32.22 1nee n VAL 19 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1nee s PHE 20 N -1.70 3.55 0.13 1.45 -0.71 0.24 -4.96 117.98 115.98 1nee s PHE 20 Ca 0.25 1.57 0.03 0.00 -1.04 0.00 0.00 56.93 57.75 1nee s PHE 20 Cb 0.20 -3.32 -0.01 0.00 -1.21 0.00 0.00 43.02 38.68 1nee s PHE 20 CO 0.06 -0.75 0.11 -1.91 -1.34 0.00 0.00 175.22 171.40 1nee n GLU 21 N 2.17 0.18 -1.29 1.99 2.13 -1.26 -5.09 120.64 119.48 1nee n GLU 21 Ca 0.02 -1.31 -0.20 0.00 0.66 0.00 0.00 57.16 56.34 1nee n GLU 21 Cb 0.45 1.06 0.14 0.00 0.27 0.00 0.00 31.44 33.37 1nee n GLU 21 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1nee n THR 22 N -0.25 0.00 -2.51 6.31 5.66 -1.26 -5.01 114.28 117.22 1nee n THR 22 Ca 0.03 -0.67 -0.41 0.00 -3.05 0.00 0.00 64.05 59.95 1nee n THR 22 Cb 0.24 -1.65 -0.04 0.00 -1.55 0.00 0.00 70.33 67.33 1nee n THR 22 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1nee s LYS 23 N -5.00 4.56 0.00 1.09 -0.14 -1.26 -4.92 119.74 114.07 1nee s LYS 23 Ca 0.52 1.71 0.21 0.00 -1.36 0.00 0.00 55.97 57.05 1nee s LYS 23 Cb -0.01 -3.30 0.80 0.00 -1.68 0.00 0.00 37.83 33.63 1nee s LYS 23 CO 0.37 -0.00 1.57 0.54 -0.76 0.00 0.00 175.35 177.07 1nee n ARG 24 N 2.77 1.64 -2.70 1.68 1.74 -1.26 -4.70 116.66 115.83 1nee n ARG 24 Ca 0.04 -0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 55.74 1nee n ARG 24 Cb 0.46 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1nee n ARG 24 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nee s PHE 25 N -1.82 2.81 -0.29 -1.55 2.19 -1.26 -4.86 117.98 113.19 1nee s PHE 25 Ca 0.32 -1.22 0.03 0.00 0.33 0.00 0.00 56.93 56.39 1nee s PHE 25 Cb 0.17 -4.56 0.17 0.00 -1.31 0.00 0.00 43.02 37.48 1nee s PHE 25 CO 0.26 -1.75 0.43 -1.83 1.83 0.00 0.00 175.22 174.16 1nee s GLU 26 N 3.96 0.44 -0.28 10.12 -1.05 -1.26 -4.97 118.70 125.65 1nee s GLU 26 Ca 0.43 0.15 0.01 0.00 -0.15 0.00 0.00 54.97 55.41 1nee s GLU 26 Cb -0.01 -0.24 0.15 0.00 -0.44 0.00 0.00 34.13 33.59 1nee s GLU 26 CO -0.06 -1.05 0.38 0.08 0.95 0.00 0.00 175.26 175.56 1nee s VAL 27 N 2.54 -0.59 0.93 1.83 1.01 -1.26 -5.09 120.40 119.78 1nee s VAL 27 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1nee s VAL 27 Cb -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1nee s VAL 27 CO -0.29 -0.28 0.25 -2.65 0.00 0.00 0.00 175.10 172.13 1nee n PRO 28 N 5.35 -0.19 0.00 2.72 -0.02 -1.26 -4.76 135.00 136.83 1nee n PRO 28 Ca -0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1nee n PRO 28 Cb 0.49 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.03 0.00 -0.01 -0.52 3.00 -1.26 -5.05 118.16 113.29 1nee n LYS 29 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1nee n LYS 29 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nee n ALA 30 N -1.10 0.00 -3.00 3.14 0.00 -1.26 -5.06 120.51 113.22 1nee n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nee n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.26 -0.39 -1.52 0.00 0.18 -1.26 -4.62 117.16 109.28 1nee n TYR 31 Ca 0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 1nee n TYR 31 Cb 0.00 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.05 1nee n TYR 31 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1nee s SER 32 N -0.71 4.48 -0.16 9.48 1.04 -1.26 -4.74 113.70 121.84 1nee s SER 32 Ca 0.00 1.35 -0.00 0.00 0.48 0.00 0.00 55.95 57.78 1nee s SER 32 Cb 0.00 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 64.06 1nee s SER 32 CO 0.00 -1.98 -0.08 -0.69 0.98 0.00 0.00 173.24 171.47 1nee s VAL 33 N -3.13 1.26 0.25 5.02 1.01 -1.26 -4.77 120.40 118.79 1nee s VAL 33 Ca 0.61 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1nee s VAL 33 Cb -0.15 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 1nee s VAL 33 CO 0.54 0.23 1.33 -0.51 0.00 0.00 0.00 175.10 176.70 1nee s ILE 34 N 1.58 2.96 -0.39 2.22 -1.16 -1.26 -2.14 121.20 123.01 1nee s ILE 34 Ca 0.02 0.84 0.05 0.00 -0.51 0.00 0.00 60.65 61.04 1nee s ILE 34 Cb -0.15 -3.53 0.16 0.00 0.61 0.00 0.00 42.46 39.56 1nee s ILE 34 CO -0.08 0.15 0.45 -1.10 -2.81 0.00 0.00 174.94 171.54 1nee s GLN 35 N -0.64 0.71 0.00 3.50 -1.52 -1.00 -4.97 119.66 115.73 1nee s GLN 35 Ca 0.55 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 53.20 1nee s GLN 35 Cb -0.38 -0.52 0.00 0.00 -0.22 0.00 0.00 33.01 31.89 1nee s GLN 35 CO 0.43 -1.20 0.00 0.41 -0.25 0.00 0.00 175.29 174.68 1nee n GLY 36 N 4.21 0.60 0.88 3.09 0.00 -1.26 -1.59 105.19 111.11 1nee n GLY 36 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 1.62 -0.77 -4.07 1.61 2.85 -1.26 -5.14 115.26 110.10 1nee n ASN 37 Ca 0.00 -1.62 -0.13 0.00 -0.11 0.00 0.00 54.58 52.72 1nee n ASN 37 Cb 0.00 0.23 -0.11 0.00 1.24 0.00 0.00 39.78 41.14 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 0.00 0.56 -0.31 1.20 3.00 -0.62 -2.43 118.95 120.35 1nee s ARG 38 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 55.73 54.81 1nee s ARG 38 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 34.95 34.64 1nee s ARG 38 CO 0.00 0.05 0.17 0.99 0.00 0.00 0.00 175.30 176.51 1nee s THR 39 N -1.59 4.79 -1.45 0.02 2.01 -0.45 -2.38 115.64 116.58 1nee s THR 39 Ca -0.08 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1nee s THR 39 Cb -0.09 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1nee s THR 39 CO -0.00 0.07 2.53 0.33 -0.69 0.00 0.00 174.62 176.86 1nee n PHE 40 N 5.01 2.68 -1.95 4.92 -0.00 -0.91 -1.05 117.46 126.16 1nee n PHE 40 Ca -0.14 -2.95 -0.41 0.00 -0.00 0.00 0.00 57.45 53.96 1nee n PHE 40 Cb 0.49 -2.20 -0.03 0.00 -0.00 0.00 0.00 39.48 37.75 1nee n PHE 40 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 1nee s ILE 41 N 0.87 3.38 -0.19 -2.13 1.10 0.70 -4.10 121.20 120.83 1nee s ILE 41 Ca 0.58 0.33 -0.20 0.00 -0.51 0.00 0.00 60.65 60.85 1nee s ILE 41 Cb 0.17 -3.65 -0.21 0.00 0.15 0.00 0.00 42.46 38.92 1nee s ILE 41 CO -0.07 -0.51 0.30 1.56 -2.11 0.00 0.00 174.94 174.11 1nee h GLN 42 N 14.24 0.05 -2.19 3.50 4.20 -1.85 -1.58 115.11 131.47 1nee h GLN 42 Ca -0.31 -0.08 -0.73 0.00 0.06 0.00 0.00 58.65 57.59 1nee h GLN 42 Cb 1.18 0.03 -0.32 0.00 0.30 0.00 0.00 27.48 28.67 1nee h GLN 42 CO 1.10 1.04 0.44 0.09 -0.67 0.00 0.00 178.83 180.83 1nee n ASN 43 N -4.31 6.38 -0.37 1.46 4.13 -1.26 -4.59 115.26 116.71 1nee n ASN 43 Ca -0.30 -3.71 0.34 0.00 1.68 0.00 0.00 54.58 52.59 1nee n ASN 43 Cb 0.72 -0.94 0.69 0.00 -1.54 0.00 0.00 39.78 38.71 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1nee h PHE 44 N 3.62 0.22 0.09 3.10 -0.00 -1.97 0.33 116.94 122.32 1nee h PHE 44 Ca 0.41 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.38 1nee h PHE 44 Cb 0.38 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 36.27 1nee h PHE 44 CO 1.14 -0.01 -0.04 -0.09 -0.00 0.00 0.00 178.31 179.32 1nee h ARG 45 N 0.11 -0.11 0.38 6.09 9.65 -1.97 0.98 114.38 129.50 1nee h ARG 45 Ca 0.63 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.50 1nee h ARG 45 Cb 2.25 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.86 1nee h ARG 45 CO -0.12 0.09 -0.18 1.49 2.80 0.00 0.00 179.97 184.05 1nee h GLU 46 N -0.30 -0.49 -0.61 0.20 4.81 -0.84 -2.66 114.58 114.70 1nee h GLU 46 Ca -0.01 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1nee h GLU 46 Cb 0.25 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1nee h GLU 46 CO 0.02 -0.17 0.43 0.28 -0.73 0.00 0.00 179.01 178.84 1nee h VAL 47 N -0.93 0.73 0.32 0.32 2.07 -0.66 -2.14 116.25 115.96 1nee h VAL 47 Ca -0.05 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nee h VAL 47 Cb 0.54 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1nee h VAL 47 CO 0.08 0.02 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 1nee h ALA 48 N 1.70 -0.43 -0.06 1.67 0.00 -0.73 -2.58 119.26 118.82 1nee h ALA 48 Ca 0.29 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nee h ALA 48 Cb 1.04 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1nee h ALA 48 CO -0.03 -0.53 -0.26 0.22 0.00 0.00 0.00 179.25 178.66 1nee h ASP 49 N -0.86 -0.82 -0.31 0.00 1.82 -1.02 0.37 116.42 115.60 1nee h ASP 49 Ca -0.04 0.10 0.07 0.00 -0.39 0.00 0.00 57.03 56.76 1nee h ASP 49 Cb 0.52 0.32 -0.07 0.00 0.68 0.00 0.00 39.33 40.78 1nee h ASP 49 CO 0.07 -0.23 -0.18 0.00 -1.61 0.00 0.00 179.24 177.29 1nee h ALA 50 N -0.90 0.04 0.00 -0.78 0.00 -1.64 0.27 119.26 116.26 1nee h ALA 50 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nee h ALA 50 Cb 0.32 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nee h ALA 50 CO -0.21 -0.57 0.00 -0.11 0.00 0.00 0.00 179.25 178.36 1nee n LEU 51 N -5.35 0.64 0.00 0.00 7.94 -0.97 -4.50 117.00 114.76 1nee n LEU 51 Ca 0.00 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 1nee n LEU 51 Cb 0.26 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1nee n LEU 51 CO 0.15 -0.71 0.00 -3.20 -1.11 0.00 0.00 177.39 172.51 1nee n ASN 52 N -2.26 0.00 -0.27 1.96 4.05 0.13 -4.86 115.26 114.01 1nee n ASN 52 Ca 0.01 0.00 0.09 0.00 0.45 0.00 0.00 54.58 55.12 1nee n ASN 52 Cb 0.16 0.00 0.22 0.00 1.23 0.00 0.00 39.78 41.39 1nee n ASN 52 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1nee h ARG 53 N 0.00 0.22 -6.53 1.20 2.43 -0.77 -3.29 114.38 107.64 1nee h ARG 53 Ca 0.00 -0.01 -0.52 0.00 -0.81 0.00 0.00 59.98 58.63 1nee h ARG 53 Cb 0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1nee h ARG 53 CO 0.00 0.15 0.37 -0.51 -1.51 0.00 0.00 179.97 178.47 1nee s ASP 54 N -5.18 7.45 0.15 -3.80 1.11 -1.26 -4.70 116.67 110.44 1nee s ASP 54 Ca -0.13 1.78 -0.08 0.00 0.18 0.00 0.00 52.55 54.30 1nee s ASP 54 Cb 0.23 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 1nee s ASP 54 CO 0.76 -0.13 1.44 1.55 1.18 0.00 0.00 175.17 179.97 1nee h PRO 55 N 5.90 0.74 -0.84 8.23 0.13 -1.93 -2.92 132.00 141.31 1nee h PRO 55 Ca -0.42 -0.48 -0.01 0.00 -0.87 0.00 0.00 66.00 64.21 1nee h PRO 55 Cb 1.21 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1nee h PRO 55 CO 0.73 1.10 0.48 1.96 -0.23 0.00 0.00 178.00 182.04 1nee h GLN 56 N 0.56 1.16 0.56 0.86 1.08 -1.94 -1.81 115.11 115.58 1nee h GLN 56 Ca 0.01 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1nee h GLN 56 Cb 1.15 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1nee h GLN 56 CO 0.12 0.83 -0.27 1.25 -0.95 0.00 0.00 178.83 179.81 1nee h HIS 57 N 1.17 -0.70 -0.75 2.96 2.76 -1.93 -2.77 115.15 115.89 1nee h HIS 57 Ca 0.30 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.61 1nee h HIS 57 Cb 0.00 0.23 -0.13 0.00 1.55 0.00 0.00 27.41 29.06 1nee h HIS 57 CO 0.01 -0.43 -0.07 1.25 -1.30 0.00 0.00 177.93 177.38 1nee h LEU 58 N -1.16 -0.48 -0.50 0.26 6.46 -1.51 0.84 115.31 119.21 1nee h LEU 58 Ca -0.08 0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 1nee h LEU 58 Cb 0.58 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 40.82 1nee h LEU 58 CO 0.13 -0.21 0.01 0.25 -0.62 0.00 0.00 178.44 178.00 1nee h LEU 59 N 0.06 -0.18 -0.80 2.25 6.46 -1.36 -0.47 115.31 121.27 1nee h LEU 59 Ca 0.39 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 58.33 1nee h LEU 59 Cb 0.66 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.72 1nee h LEU 59 CO -0.70 -0.06 0.48 0.11 -0.62 0.00 0.00 178.44 177.64 1nee h LYS 60 N 0.13 0.83 -0.93 1.25 1.57 -0.55 -1.42 116.57 117.45 1nee h LYS 60 Ca 0.25 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1nee h LYS 60 Cb 0.37 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 1nee h LYS 60 CO -0.40 0.55 0.60 0.74 -0.57 0.00 0.00 179.45 180.36 1nee h PHE 61 N 0.86 1.11 0.47 -1.35 -1.00 -0.44 -1.33 116.94 115.26 1nee h PHE 61 Ca 0.36 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.15 1nee h PHE 61 Cb 0.21 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 1nee h PHE 61 CO -0.05 0.58 -0.28 -0.07 -1.61 0.00 0.00 178.31 176.89 1nee h LEU 62 N 1.10 -0.69 -1.77 1.54 4.07 -0.57 -2.05 115.31 116.93 1nee h LEU 62 Ca 0.40 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1nee h LEU 62 Cb 0.13 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1nee h LEU 62 CO -0.16 -0.43 0.26 0.17 -1.08 0.00 0.00 178.44 177.19 1nee h LEU 63 N -0.70 0.00 -0.08 1.67 8.10 -1.30 0.30 115.31 123.30 1nee h LEU 63 Ca -0.06 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.75 1nee h LEU 63 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.79 1nee h LEU 63 CO 0.07 0.00 -0.66 0.03 -4.11 0.00 0.00 178.44 173.78 1nee h ARG 64 N 0.00 0.58 0.00 0.17 2.47 -0.55 -3.41 114.38 113.65 1nee h ARG 64 Ca 0.00 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1nee h ARG 64 Cb 0.52 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1nee h ARG 64 CO 0.00 1.15 -0.04 -1.91 0.56 0.00 0.00 179.97 179.72 1nee n GLU 65 N -4.12 0.03 -1.74 0.04 4.07 -0.14 -4.71 120.64 114.07 1nee n GLU 65 Ca -0.09 0.14 -0.19 0.00 -0.06 0.00 0.00 57.16 56.97 1nee n GLU 65 Cb 0.69 -0.68 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 1nee n GLU 65 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1nee s LEU 66 N -4.95 2.61 -0.11 4.31 0.05 -0.09 -4.54 118.68 115.97 1nee s LEU 66 Ca -0.01 -1.05 -0.04 0.00 0.05 0.00 0.00 54.13 53.08 1nee s LEU 66 Cb 0.00 -2.59 -0.10 0.00 -2.05 0.00 0.00 46.19 41.45 1nee s LEU 66 CO 0.02 -4.18 2.94 0.61 -0.55 0.00 0.00 176.35 175.19 1nee n GLY 67 N 6.15 3.24 3.51 -3.48 0.00 -1.26 -4.51 105.19 108.84 1nee n GLY 67 Ca 0.43 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -0.14 1.55 0.19 2.61 -4.23 -1.26 -5.03 115.64 109.33 1nee s THR 68 Ca 0.47 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1nee s THR 68 Cb 0.25 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1nee s THR 68 CO -0.04 -0.04 1.14 0.00 -0.54 0.00 0.00 174.62 175.14 1nee n ALA 69 N -0.77 0.10 -2.04 3.99 0.00 -1.26 -4.90 120.51 115.63 1nee n ALA 69 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1nee n ALA 69 Cb 0.66 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.43 -5.16 3.70 0.00 0.00 -1.26 -5.03 105.19 96.01 1nee n GLY 70 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.46 -0.28 -0.50 1.61 2.47 -1.26 -4.94 114.94 111.57 1nee s ASN 71 Ca 0.00 -0.35 -0.27 0.00 0.42 0.00 0.00 52.86 52.67 1nee s ASN 71 Cb 0.00 0.56 0.03 0.00 -1.45 0.00 0.00 41.25 40.39 1nee s ASN 71 CO 0.00 -1.00 1.03 -0.76 -3.72 0.00 0.00 177.10 172.65 1nee s LEU 72 N -2.84 3.83 0.17 3.21 1.02 -1.26 -2.28 118.68 120.53 1nee s LEU 72 Ca 0.09 0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.40 1nee s LEU 72 Cb -0.03 -3.21 -0.04 0.00 0.02 0.00 0.00 46.19 42.94 1nee s LEU 72 CO -0.00 -1.21 0.18 -0.70 0.02 0.00 0.00 176.35 174.64 1nee s GLU 73 N 4.18 3.03 2.23 1.70 2.12 -0.66 -4.72 118.70 126.58 1nee s GLU 73 Ca 0.40 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1nee s GLU 73 Cb -0.09 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1nee s GLU 73 CO 0.26 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 1nee n GLY 74 N -0.52 -0.48 0.14 -1.50 0.00 -1.26 -2.17 105.19 99.39 1nee n GLY 74 Ca -0.08 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.39 0.00 -0.02 0.00 -2.01 -3.45 103.07 97.98 1nee h GLY 75 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1nee h GLY 75 CO 0.00 0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.16 1nee n ARG 76 N -4.96 2.32 -3.25 4.80 5.12 -1.25 -5.00 116.66 114.43 1nee n ARG 76 Ca -0.01 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.45 1nee n ARG 76 Cb 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.36 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nee s ALA 77 N -3.01 4.16 -0.84 7.54 0.00 -0.60 -3.91 121.76 125.11 1nee s ALA 77 Ca 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 51.96 48.42 1nee s ALA 77 Cb 0.00 -3.65 0.21 0.00 0.00 0.00 0.00 23.12 19.68 1nee s ALA 77 CO 0.00 -2.39 0.81 0.42 0.00 0.00 0.00 175.76 174.60 1nee s ILE 78 N 0.22 5.52 0.19 0.00 1.01 -0.92 -0.22 121.20 127.00 1nee s ILE 78 Ca 0.25 -2.38 0.01 0.00 0.00 0.00 0.00 60.65 58.53 1nee s ILE 78 Cb -0.09 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 37.92 1nee s ILE 78 CO -0.08 -1.08 0.26 0.00 0.00 0.00 0.00 174.94 174.04 1nee n LEU 79 N 4.25 0.00 -4.08 2.97 -0.00 -0.21 -1.65 117.00 118.28 1nee n LEU 79 Ca 0.15 -0.61 -0.08 0.00 -0.00 0.00 0.00 56.01 55.47 1nee n LEU 79 Cb 0.47 -0.16 -0.10 0.00 -0.00 0.00 0.00 43.42 43.63 1nee n LEU 79 CO 0.35 -0.62 -0.37 -1.58 -0.00 0.00 0.00 177.39 175.18 1nee s GLN 80 N -3.03 0.59 0.00 1.47 0.74 -1.26 -1.35 119.66 116.83 1nee s GLN 80 Ca 0.18 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1nee s GLN 80 Cb -0.01 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1nee s GLN 80 CO 0.12 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1nee n GLY 81 N 0.44 -0.07 2.30 2.59 0.00 -1.02 -4.28 105.19 105.16 1nee n GLY 81 Ca -0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 1.09 -1.85 1.61 4.81 -1.26 -4.73 118.16 117.82 1nee n LYS 82 Ca 0.00 -1.89 -0.32 0.00 -0.87 0.00 0.00 58.31 55.23 1nee n LYS 82 Cb 0.00 -0.17 0.04 0.00 0.02 0.00 0.00 35.03 34.92 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 -0.81 3.08 -2.36 5.64 3.01 -1.26 -4.68 117.46 120.09 1nee n PHE 83 Ca -0.10 -2.68 -0.42 0.00 1.01 0.00 0.00 57.45 55.26 1nee n PHE 83 Cb 0.86 -0.85 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.70 3.78 -3.34 4.37 -2.24 -1.26 -4.19 114.28 110.70 1nee n THR 84 Ca 0.52 -3.79 -0.24 0.00 -2.27 0.00 0.00 64.05 58.27 1nee n THR 84 Cb 0.65 -2.41 0.02 0.00 -2.10 0.00 0.00 70.33 66.49 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 7.95 -1.99 0.00 4.78 8.25 -1.26 -4.84 115.22 128.11 1nee n HIS 85 Ca 0.50 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.54 1nee n HIS 85 Cb 0.44 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.77 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 -4.32 0.00 0.09 4.41 3.72 -1.26 -4.27 117.46 115.83 1nee n PHE 86 Ca -0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.31 1nee n PHE 86 Cb 0.57 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.21 0.43 4.37 4.07 -1.89 -2.41 115.31 120.09 1nee h LEU 87 Ca 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 1nee h LEU 87 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1nee h LEU 87 CO 0.00 0.83 -0.21 0.40 -1.08 0.00 0.00 178.44 178.39 1nee h ILE 88 N 0.12 0.00 -0.78 1.22 2.04 -1.88 -2.51 117.51 115.72 1nee h ILE 88 Ca -0.02 -0.39 0.13 0.00 1.00 0.00 0.00 64.86 65.59 1nee h ILE 88 Cb 1.22 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1nee h ILE 88 CO 0.10 0.00 0.36 -1.13 0.00 0.00 0.00 178.15 177.48 1nee h ASN 89 N -0.97 0.41 -0.72 1.72 -1.24 -1.74 0.27 115.58 113.31 1nee h ASN 89 Ca -0.06 0.09 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 1nee h ASN 89 Cb 0.44 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 1nee h ASN 89 CO 0.10 0.18 0.19 1.05 -1.29 0.00 0.00 177.43 177.66 1nee h GLU 90 N 0.54 1.15 -0.05 6.67 -0.00 -1.52 -0.95 114.58 120.42 1nee h GLU 90 Ca 0.42 -0.27 -0.08 0.00 -0.00 0.00 0.00 59.36 59.43 1nee h GLU 90 Cb 0.58 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1nee h GLU 90 CO -0.36 1.00 -0.30 0.00 -0.00 0.00 0.00 179.01 179.35 1nee h ARG 91 N 1.09 0.29 0.22 1.06 2.47 -0.85 -2.24 114.38 116.43 1nee h ARG 91 Ca 0.23 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1nee h ARG 91 Cb 0.35 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1nee h ARG 91 CO -0.00 0.90 -0.36 0.82 0.56 0.00 0.00 179.97 181.89 1nee h ILE 92 N -0.24 0.25 -0.47 2.04 1.08 -0.45 -1.67 117.51 118.05 1nee h ILE 92 Ca -0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1nee h ILE 92 Cb 0.97 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1nee h ILE 92 CO 0.06 0.00 0.32 -0.08 -0.69 0.00 0.00 178.15 177.76 1nee h GLU 93 N -0.66 0.37 -0.81 2.37 4.57 -1.27 0.32 114.58 119.48 1nee h GLU 93 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1nee h GLU 93 Cb 0.64 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1nee h GLU 93 CO -0.15 0.25 0.42 0.22 -1.18 0.00 0.00 179.01 178.57 1nee h ASP 94 N 0.39 1.04 0.00 1.04 1.82 -0.68 0.11 116.42 120.14 1nee h ASP 94 Ca 0.21 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1nee h ASP 94 Cb 0.32 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1nee h ASP 94 CO -0.05 0.86 -0.37 1.88 -1.61 0.00 0.00 179.24 179.95 1nee h TYR 95 N 1.14 0.00 -0.64 0.28 0.05 -0.69 -2.93 116.97 114.18 1nee h TYR 95 Ca 0.28 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.13 1nee h TYR 95 Cb 0.08 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.76 1nee h TYR 95 CO 0.01 0.09 0.33 -0.39 -1.05 0.00 0.00 178.16 177.15 1nee h VAL 96 N -1.00 0.91 -1.89 -2.88 -1.51 -0.51 -2.77 116.25 106.60 1nee h VAL 96 Ca -0.02 -0.21 -0.67 0.00 -1.23 0.00 0.00 66.70 64.58 1nee h VAL 96 Cb 0.40 0.26 -0.36 0.00 -2.13 0.00 0.00 31.29 29.46 1nee h VAL 96 CO -0.01 0.11 0.06 0.59 -1.23 0.00 0.00 177.57 177.09 1nee n ASN 97 N -4.85 5.88 -0.05 4.19 5.03 0.39 -4.72 115.26 121.12 1nee n ASN 97 Ca 0.08 -3.75 0.16 0.00 0.87 0.00 0.00 54.58 51.94 1nee n ASN 97 Cb 0.20 -0.75 0.90 0.00 -1.02 0.00 0.00 39.78 39.11 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1nee n LYS 98 N -0.40 1.05 0.17 3.52 2.85 -1.05 -3.28 118.16 121.02 1nee n LYS 98 Ca 0.43 -0.09 -0.13 0.00 -1.05 0.00 0.00 58.31 57.46 1nee n LYS 98 Cb 0.43 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.24 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 0.23 -0.42 0.00 5.58 3.57 -1.86 -0.50 116.94 123.54 1nee h PHE 99 Ca 0.00 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 1nee h PHE 99 Cb 0.06 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1nee h PHE 99 CO 0.00 -0.09 -1.38 -0.24 -2.23 0.00 0.00 178.31 174.37 1nee h VAL 100 N -0.79 0.83 0.15 1.41 3.04 -1.94 0.78 116.25 119.72 1nee h VAL 100 Ca -0.05 -2.47 -0.01 0.00 -1.01 0.00 0.00 66.70 63.16 1nee h VAL 100 Cb 0.52 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1nee h VAL 100 CO 0.08 0.47 -0.07 0.40 -1.01 0.00 0.00 177.57 177.44 1nee h ILE 101 N 0.00 0.36 -0.01 3.17 1.08 -1.65 -3.31 117.51 117.14 1nee h ILE 101 Ca -0.17 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.25 1nee h ILE 101 Cb 1.75 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 1nee h ILE 101 CO 0.07 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.64 1nee n HIS 103 N -0.33 -1.74 -3.58 0.00 8.25 -0.84 -3.90 115.22 113.08 1nee n HIS 103 Ca 0.21 0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 58.11 1nee n HIS 103 Cb 0.24 -4.39 0.02 0.00 1.12 0.00 0.00 29.99 26.99 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 -3.42 -1.76 -0.82 -0.41 2.13 0.26 -4.69 120.64 111.94 1nee n GLU 104 Ca -0.22 1.17 -0.27 0.00 0.66 0.00 0.00 57.16 58.51 1nee n GLU 104 Cb 0.63 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 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 5.14 0.00 -3.40 0.00 5.15 -1.26 -4.75 115.26 116.12 1nee n ASN 106 Ca 0.44 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 54.06 1nee n ASN 106 Cb 0.20 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.45 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 4.71 -1.39 1.20 1.74 -1.26 -5.06 116.66 116.60 1nee n ARG 107 Ca 0.00 -4.74 -0.37 0.00 -0.77 0.00 0.00 57.85 51.98 1nee n ARG 107 Cb 0.00 -2.39 0.07 0.00 -1.02 0.00 0.00 32.46 29.11 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nee n PRO 108 N -0.12 0.50 -0.62 5.56 -0.02 -1.26 -4.86 135.00 134.17 1nee n PRO 108 Ca 0.42 0.21 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1nee n PRO 108 Cb 0.30 -1.97 0.09 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.62 3.38 -4.65 2.55 8.00 -1.26 -4.88 116.55 119.07 1nee n ASP 109 Ca 0.12 -2.81 -0.31 0.00 0.71 0.00 0.00 54.79 52.50 1nee n ASP 109 Cb 0.49 -0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1nee n ASP 109 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nee s THR 110 N -1.67 1.19 -0.55 -3.53 2.01 -1.26 -5.10 115.64 106.73 1nee s THR 110 Ca 0.29 -2.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.06 1nee s THR 110 Cb 0.24 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.49 1nee s THR 110 CO 0.06 0.00 0.88 -0.13 -0.69 0.00 0.00 174.62 174.74 1nee s ARG 111 N -3.83 3.27 -0.07 4.92 0.52 -1.26 -5.03 118.95 117.47 1nee s ARG 111 Ca 0.13 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1nee s ARG 111 Cb 0.03 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 1nee s ARG 111 CO 0.07 -1.47 -0.10 0.42 0.02 0.00 0.00 175.30 174.23 1nee s ILE 112 N 3.71 3.38 -0.00 1.52 1.09 -1.26 -4.80 121.20 124.84 1nee s ILE 112 Ca 0.27 -0.59 0.00 0.00 -1.10 0.00 0.00 60.65 59.22 1nee s ILE 112 Cb -0.14 -2.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 1nee s ILE 112 CO 0.17 0.58 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.96 1nee s ILE 113 N -0.62 0.07 -0.11 2.92 1.09 -1.26 -4.98 121.20 118.30 1nee s ILE 113 Ca 0.09 -0.01 0.02 0.00 -1.10 0.00 0.00 60.65 59.65 1nee s ILE 113 Cb -0.11 -0.08 0.01 0.00 -1.06 0.00 0.00 42.46 41.22 1nee s ILE 113 CO 0.01 0.03 -0.16 -0.60 -0.10 0.00 0.00 174.94 174.12 1nee s ARG 114 N 0.12 2.34 0.01 2.79 3.52 -1.26 -2.00 118.95 124.47 1nee s ARG 114 Ca -0.01 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 55.05 1nee s ARG 114 Cb -0.02 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1nee s ARG 114 CO -0.00 -0.06 -0.18 -1.83 -0.81 0.00 0.00 175.30 172.41 1nee s GLU 115 N 0.98 1.36 0.00 5.12 -1.05 -0.67 -4.76 118.70 119.68 1nee s GLU 115 Ca -0.06 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1nee s GLU 115 Cb -0.15 -1.38 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 1nee s GLU 115 CO -0.02 0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.96 1nee n GLY 116 N 2.26 1.00 3.15 -3.83 0.00 -1.26 -1.39 105.19 105.12 1nee n GLY 116 Ca -0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1nee n GLY 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nee n ARG 117 N -2.00 -1.56 -2.91 1.61 3.00 -1.26 -3.96 116.66 109.58 1nee n ARG 117 Ca 0.00 1.49 -0.12 0.00 -0.00 0.00 0.00 57.85 59.23 1nee n ARG 117 Cb 0.00 -5.09 0.05 0.00 0.00 0.00 0.00 32.46 27.42 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 -1.59 -7.70 0.00 5.15 5.41 -1.26 -4.95 119.36 114.43 1nee n ILE 118 Ca -0.03 -1.07 0.00 0.00 1.00 0.00 0.00 62.75 62.65 1nee n ILE 118 Cb 0.53 -5.89 0.00 0.00 -0.71 0.00 0.00 39.64 33.57 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 -2.85 0.00 -4.31 4.38 7.64 -1.25 -4.40 113.62 112.82 1nee n SER 119 Ca -0.05 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.61 1nee n SER 119 Cb 0.59 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 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 -3.86 2.40 -0.15 -3.43 2.01 -0.48 -4.98 118.68 110.19 1nee s LEU 120 Ca 0.00 -0.81 -0.31 0.00 0.01 0.00 0.00 54.13 53.01 1nee s LEU 120 Cb 0.00 -0.80 0.13 0.00 0.01 0.00 0.00 46.19 45.53 1nee s LEU 120 CO 0.00 -0.03 1.09 -0.22 1.01 0.00 0.00 176.35 178.20 1nee s LEU 121 N -2.46 -0.24 -0.10 1.79 0.20 0.34 -1.67 118.68 116.54 1nee s LEU 121 Ca 0.13 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.06 1nee s LEU 121 Cb -0.07 1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 47.31 1nee s LEU 121 CO 0.06 -0.33 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.15 1nee s LYS 122 N -2.06 3.03 -0.32 1.98 1.02 -0.85 -2.04 119.74 120.50 1nee s LYS 122 Ca 0.05 -0.59 0.15 0.00 0.02 0.00 0.00 55.97 55.60 1nee s LYS 122 Cb -0.01 -2.63 0.47 0.00 -0.52 0.00 0.00 37.83 35.14 1nee s LYS 122 CO -0.04 0.48 1.06 0.00 -0.92 0.00 0.00 175.35 175.93 1nee h GLU 124 N 2.68 0.00 0.00 0.00 4.11 -1.87 -2.54 114.58 116.96 1nee h GLU 124 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1nee h GLU 124 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nee h GLU 124 CO 0.51 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.59 1nee n ALA 125 N -2.68 -0.10 -1.06 1.06 0.00 -1.26 -3.95 120.51 112.52 1nee n ALA 125 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 1nee n ALA 125 Cb 1.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.46 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 3.16 0.90 3.31 0.00 0.00 -1.05 -4.90 105.19 106.62 1nee n GLY 127 Ca 0.57 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.95 0.04 4.61 0.00 -0.98 -3.84 121.76 118.63 1nee s ALA 128 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1nee s ALA 128 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1nee s ALA 128 CO 0.00 -0.40 0.03 0.21 0.00 0.00 0.00 175.76 175.60 1nee s LYS 129 N -2.14 0.52 -0.63 0.00 2.47 -1.26 -4.60 119.74 114.10 1nee s LYS 129 Ca -0.07 -0.84 -0.28 0.00 -1.56 0.00 0.00 55.97 53.21 1nee s LYS 129 Cb -0.02 0.19 0.03 0.00 -1.46 0.00 0.00 37.83 36.57 1nee s LYS 129 CO -0.00 -0.11 1.26 0.00 0.16 0.00 0.00 175.35 176.66 1nee s ALA 130 N -2.65 2.88 -0.04 3.13 0.00 -0.87 -4.44 121.76 119.77 1nee s ALA 130 Ca -0.05 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1nee s ALA 130 Cb -0.01 -4.12 -0.14 0.00 0.00 0.00 0.00 23.12 18.85 1nee s ALA 130 CO -0.05 -2.91 0.86 -1.00 0.00 0.00 0.00 175.76 172.66 1nee h PRO 131 N 9.99 -0.31 0.00 0.00 0.13 -1.91 1.00 132.00 140.89 1nee h PRO 131 Ca -0.26 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 1nee h PRO 131 Cb 1.06 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1nee h PRO 131 CO 1.21 0.04 0.20 1.47 -0.23 0.00 0.00 178.00 180.70 1nee n LEU 132 N -5.00 0.00 0.00 1.56 -0.00 -1.26 -4.20 117.00 108.10 1nee n LEU 132 Ca -0.08 -2.54 -0.01 0.00 -0.00 0.00 0.00 56.01 53.38 1nee n LEU 132 Cb 0.25 3.49 -0.00 0.00 -0.00 0.00 0.00 43.42 47.16 1nee n LEU 132 CO 0.24 -0.80 0.00 1.17 -0.00 0.00 0.00 177.39 178.00 1nee n LYS 133 N -0.52 0.04 -2.05 1.47 3.00 -1.26 -5.09 118.16 113.75 1nee n LYS 133 Ca -0.07 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.31 58.00 1nee n LYS 133 Cb 0.57 0.20 -0.01 0.00 0.00 0.00 0.00 35.03 35.79 1nee n LYS 133 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1nee n ASN 134 N -2.55 -5.72 0.00 3.14 5.15 -1.26 -5.31 115.26 108.71 1nee n ASN 134 Ca 0.00 1.24 0.00 0.00 -0.60 0.00 0.00 54.58 55.23 1nee n ASN 134 Cb 0.04 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 1nee n ASN 134 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18