#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 5.08 1.02 7.83 -1.08 -1.26 -5.07 116.67 123.19 1nee s ASP 2 Ca 0.00 1.10 -0.04 0.00 -0.52 0.00 0.00 52.55 53.09 1nee s ASP 2 Cb 0.00 -1.83 0.06 0.00 -1.46 0.00 0.00 42.92 39.69 1nee s ASP 2 CO 0.00 -1.57 0.26 0.47 0.52 0.00 0.00 175.17 174.85 1nee n ASP 3 N -3.15 -0.57 -0.00 -0.34 8.00 -1.26 -5.02 116.55 114.21 1nee n ASP 3 Ca 0.07 -0.89 0.03 0.00 0.71 0.00 0.00 54.79 54.72 1nee n ASP 3 Cb 0.58 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1nee n ASP 3 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nee n TYR 4 N -2.68 0.00 -3.43 1.24 4.02 -1.26 -4.98 117.16 110.06 1nee n TYR 4 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.55 1nee n TYR 4 Cb 0.12 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.23 1nee n TYR 4 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1nee s GLU 5 N -2.44 4.28 0.02 -0.72 2.56 -1.26 -4.99 118.70 116.16 1nee s GLU 5 Ca -0.02 0.24 -0.22 0.00 0.00 0.00 0.00 54.97 54.97 1nee s GLU 5 Cb 0.04 -3.44 -0.16 0.00 2.00 0.00 0.00 34.13 32.57 1nee s GLU 5 CO 0.28 0.17 1.33 -0.22 -0.56 0.00 0.00 175.26 176.26 1nee h LYS 6 N 6.78 0.23 -3.14 4.30 3.64 -2.02 -3.44 116.57 122.93 1nee h LYS 6 Ca -0.40 -0.12 -0.26 0.00 -1.27 0.00 0.00 60.65 58.60 1nee h LYS 6 Cb 1.17 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.66 1nee h LYS 6 CO 0.75 0.64 -0.60 -0.51 -2.27 0.00 0.00 179.45 177.46 1nee s LEU 7 N -9.18 0.29 0.75 5.20 1.43 -1.26 -4.85 118.68 111.07 1nee s LEU 7 Ca -0.15 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1nee s LEU 7 Cb 0.04 0.38 0.08 0.00 0.03 0.00 0.00 46.19 46.72 1nee s LEU 7 CO 0.72 -0.20 1.07 -1.48 0.23 0.00 0.00 176.35 176.70 1nee s LEU 8 N 1.73 2.77 0.00 1.79 0.05 -1.26 -4.99 118.68 118.77 1nee s LEU 8 Ca -0.03 0.42 0.00 0.00 0.05 0.00 0.00 54.13 54.57 1nee s LEU 8 Cb -0.12 -2.96 0.00 0.00 -2.05 0.00 0.00 46.19 41.06 1nee s LEU 8 CO -0.06 -1.79 0.00 -1.84 -0.55 0.00 0.00 176.35 172.10 1nee n GLU 9 N -3.07 0.00 -2.89 1.48 0.28 -1.26 -5.04 120.64 110.14 1nee n GLU 9 Ca 0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.67 1nee n GLU 9 Cb 0.60 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.43 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1nee s ARG 10 N 0.00 3.86 -1.69 3.44 3.52 -1.26 -3.99 118.95 122.83 1nee s ARG 10 Ca 0.00 0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 1nee s ARG 10 Cb 0.00 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1nee s ARG 10 CO 0.00 -0.82 0.27 0.00 -0.81 0.00 0.00 175.30 173.94 1nee n ALA 11 N 6.47 -0.78 0.03 6.12 0.00 -1.26 -4.87 120.51 126.22 1nee n ALA 11 Ca 0.05 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.77 1nee n ALA 11 Cb 0.48 -2.97 -0.09 0.00 0.00 0.00 0.00 19.45 16.87 1nee n ALA 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1nee n ILE 12 N -4.24 0.00 0.00 0.00 0.13 -1.26 -4.80 119.36 109.19 1nee n ILE 12 Ca -0.19 -0.27 0.00 0.00 -1.10 0.00 0.00 62.75 61.20 1nee n ILE 12 Cb 0.66 0.28 0.00 0.00 -0.84 0.00 0.00 39.64 39.74 1nee n ILE 12 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1nee n ASP 13 N -1.87 0.00 -2.13 9.51 5.75 -1.26 -4.93 116.55 121.62 1nee n ASP 13 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.61 1nee n ASP 13 Cb 0.30 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.24 1nee n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nee n GLN 14 N 0.00 2.13 -4.37 0.11 6.02 -1.26 -4.86 117.38 115.15 1nee n GLN 14 Ca 0.00 -1.27 -0.28 0.00 -0.01 0.00 0.00 57.00 55.44 1nee n GLN 14 Cb 0.00 -2.05 -0.12 0.00 1.02 0.00 0.00 30.24 29.10 1nee n GLN 14 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nee s LEU 15 N -0.38 2.55 -0.31 1.08 2.01 -1.26 -5.07 118.68 117.30 1nee s LEU 15 Ca 0.66 -0.72 -0.36 0.00 0.01 0.00 0.00 54.13 53.71 1nee s LEU 15 Cb 0.33 -1.35 -0.12 0.00 0.01 0.00 0.00 46.19 45.06 1nee s LEU 15 CO -0.04 0.15 2.09 -0.81 1.01 0.00 0.00 176.35 178.74 1nee n PRO 16 N 0.51 1.19 0.00 1.29 -0.04 -1.26 -4.82 135.00 131.87 1nee n PRO 16 Ca -0.14 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1nee n PRO 16 Cb 0.54 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 7.58 0.00 0.00 0.54 -0.04 -1.26 -4.80 135.00 137.02 1nee n PRO 17 Ca 0.37 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1nee n PRO 17 Cb 0.21 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.76 0.00 -3.46 0.54 2.13 -1.26 -4.88 120.64 112.96 1nee n GLU 18 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1nee n GLU 18 Cb 0.00 -0.12 -0.07 0.00 0.27 0.00 0.00 31.44 31.52 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 5.25 -0.77 6.31 1.01 -1.26 -4.97 120.40 125.97 1nee s VAL 19 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 1nee s VAL 19 Cb 0.00 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 1nee s VAL 19 CO 0.00 0.33 3.04 0.49 0.00 0.00 0.00 175.10 178.96 1nee n PHE 20 N 3.94 1.14 -4.17 5.22 3.72 -1.26 -4.87 117.46 121.19 1nee n PHE 20 Ca -0.10 -2.13 -0.28 0.00 -0.05 0.00 0.00 57.45 54.89 1nee n PHE 20 Cb 0.52 -1.92 -0.08 0.00 -0.94 0.00 0.00 39.48 37.06 1nee n PHE 20 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1nee s GLU 21 N 1.85 2.48 0.14 -1.08 2.56 -1.26 -5.00 118.70 118.39 1nee s GLU 21 Ca 0.62 -0.99 -0.00 0.00 0.00 0.00 0.00 54.97 54.60 1nee s GLU 21 Cb 0.22 -2.44 -0.04 0.00 2.00 0.00 0.00 34.13 33.87 1nee s GLU 21 CO -0.03 0.49 0.31 0.99 -0.56 0.00 0.00 175.26 176.46 1nee s THR 22 N -1.56 5.29 -0.67 -1.70 2.01 -1.26 -5.03 115.64 112.72 1nee s THR 22 Ca 0.27 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1nee s THR 22 Cb -0.10 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1nee s THR 22 CO 0.19 -0.03 1.71 -1.59 -0.69 0.00 0.00 174.62 174.20 1nee s LYS 23 N -2.98 2.79 -0.57 4.92 -2.85 -1.26 -4.94 119.74 114.84 1nee s LYS 23 Ca 0.37 0.31 -0.27 0.00 -1.00 0.00 0.00 55.97 55.37 1nee s LYS 23 Cb -0.12 -4.39 0.03 0.00 -2.06 0.00 0.00 37.83 31.30 1nee s LYS 23 CO 0.28 -2.61 1.13 -0.98 0.10 0.00 0.00 175.35 173.27 1nee s ARG 24 N 6.67 3.47 0.20 1.78 1.70 -1.26 -5.02 118.95 126.49 1nee s ARG 24 Ca 0.59 0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.95 1nee s ARG 24 Cb -0.11 -4.02 -0.05 0.00 -0.57 0.00 0.00 34.95 30.20 1nee s ARG 24 CO 0.17 -1.63 0.41 -0.06 -1.08 0.00 0.00 175.30 173.12 1nee s PHE 25 N 4.71 3.48 -0.13 5.89 0.08 -1.26 -4.86 117.98 125.89 1nee s PHE 25 Ca 0.40 0.45 -0.04 0.00 0.12 0.00 0.00 56.93 57.86 1nee s PHE 25 Cb -0.09 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1nee s PHE 25 CO 0.24 0.36 0.21 -2.00 -0.10 0.00 0.00 175.22 173.93 1nee s GLU 26 N -3.17 0.10 -0.16 0.44 2.12 -1.26 -5.14 118.70 111.63 1nee s GLU 26 Ca 0.40 0.54 -0.10 0.00 0.36 0.00 0.00 54.97 56.17 1nee s GLU 26 Cb -0.11 -0.41 0.05 0.00 0.26 0.00 0.00 34.13 33.92 1nee s GLU 26 CO 0.28 -0.38 0.40 0.08 -0.54 0.00 0.00 175.26 175.10 1nee s VAL 27 N 2.34 -0.02 0.50 3.70 1.01 -1.26 -5.06 120.40 121.61 1nee s VAL 27 Ca 0.03 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1nee s VAL 27 Cb -0.13 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.77 1nee s VAL 27 CO -0.08 0.03 0.24 -2.65 0.00 0.00 0.00 175.10 172.64 1nee n PRO 28 N 3.93 -1.14 -3.71 2.72 -0.02 -1.26 -4.94 135.00 130.58 1nee n PRO 28 Ca -0.21 -0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 60.50 1nee n PRO 28 Cb 0.56 -0.72 -0.12 0.00 -0.02 0.00 0.00 33.50 33.20 1nee n PRO 28 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1nee s LYS 29 N -2.71 3.78 -0.00 -0.52 -0.14 -1.26 -4.96 119.74 113.93 1nee s LYS 29 Ca 0.18 -0.41 0.05 0.00 -1.36 0.00 0.00 55.97 54.43 1nee s LYS 29 Cb -0.03 -3.44 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 1nee s LYS 29 CO 0.15 -0.16 -0.13 0.00 -0.76 0.00 0.00 175.35 174.45 1nee s ALA 30 N 1.61 2.76 -0.28 5.17 0.00 -1.26 -5.03 121.76 124.74 1nee s ALA 30 Ca 0.06 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 1nee s ALA 30 Cb -0.15 -0.95 0.10 0.00 0.00 0.00 0.00 23.12 22.12 1nee s ALA 30 CO 0.06 0.58 0.80 1.52 0.00 0.00 0.00 175.76 178.72 1nee s TYR 31 N -0.88 -0.86 0.50 0.00 -0.85 -1.26 -4.82 117.35 109.18 1nee s TYR 31 Ca 0.14 1.76 -0.09 0.00 -0.52 0.00 0.00 57.07 58.37 1nee s TYR 31 Cb -0.11 0.50 0.12 0.00 0.38 0.00 0.00 41.96 42.85 1nee s TYR 31 CO 0.04 -0.42 0.62 0.43 -1.52 0.00 0.00 175.55 174.69 1nee n SER 32 N 3.87 -0.35 -4.02 -0.18 7.64 -1.26 -4.91 113.62 114.40 1nee n SER 32 Ca -0.19 -1.13 -0.21 0.00 1.01 0.00 0.00 58.87 58.36 1nee n SER 32 Cb 0.58 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.30 0.85 0.06 0.44 1.01 -1.24 -4.92 120.40 114.31 1nee s VAL 33 Ca 0.36 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 1nee s VAL 33 Cb -0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 1nee s VAL 33 CO 0.26 0.26 0.56 -0.63 0.00 0.00 0.00 175.10 175.55 1nee s ILE 34 N 0.11 4.76 -0.36 2.22 1.09 -1.26 -1.16 121.20 126.61 1nee s ILE 34 Ca -0.02 1.20 0.01 0.00 -1.10 0.00 0.00 60.65 60.74 1nee s ILE 34 Cb -0.08 -3.89 0.14 0.00 -1.06 0.00 0.00 42.46 37.57 1nee s ILE 34 CO 0.00 0.54 0.24 -1.10 -0.10 0.00 0.00 174.94 174.53 1nee s GLN 35 N -1.03 0.57 0.41 2.79 -0.21 0.15 -4.93 119.66 117.41 1nee s GLN 35 Ca 0.29 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1nee s GLN 35 Cb -0.19 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.63 1nee s GLN 35 CO 0.19 -1.21 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 1nee n GLY 36 N 4.05 0.43 0.44 3.09 0.00 -1.26 -0.67 105.19 111.27 1nee n GLY 36 Ca 0.12 0.74 0.01 0.00 0.00 0.00 0.00 46.02 46.89 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 1.67 0.15 -4.07 1.61 5.15 -1.26 -5.09 115.26 113.42 1nee n ASN 37 Ca 0.00 -2.00 -0.13 0.00 -0.60 0.00 0.00 54.58 51.85 1nee n ASN 37 Cb 0.00 -0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 38.94 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nee s ARG 38 N -0.17 0.55 -0.21 1.20 1.70 0.16 -2.67 118.95 119.49 1nee s ARG 38 Ca 0.02 -0.78 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 1nee s ARG 38 Cb 0.02 -0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1nee s ARG 38 CO 0.00 0.05 0.07 -0.08 -1.08 0.00 0.00 175.30 174.26 1nee s THR 39 N -1.42 4.58 -1.09 4.99 -1.32 -0.18 -0.67 115.64 120.52 1nee s THR 39 Ca -0.09 -0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.14 1nee s THR 39 Cb -0.10 -3.10 0.18 0.00 -1.51 0.00 0.00 72.50 67.97 1nee s THR 39 CO 0.00 0.40 1.27 0.12 -2.21 0.00 0.00 174.62 174.20 1nee s PHE 40 N 0.93 3.50 -0.42 9.09 2.19 -0.31 -1.54 117.98 131.43 1nee s PHE 40 Ca 0.04 -1.99 -0.29 0.00 0.33 0.00 0.00 56.93 55.03 1nee s PHE 40 Cb -0.14 -4.22 0.02 0.00 -1.31 0.00 0.00 43.02 37.38 1nee s PHE 40 CO 0.03 -1.34 1.09 -1.50 1.83 0.00 0.00 175.22 175.33 1nee s ILE 41 N 1.46 4.34 -0.14 3.12 2.07 -1.03 -3.63 121.20 127.38 1nee s ILE 41 Ca 0.37 1.37 -0.02 0.00 -1.41 0.00 0.00 60.65 60.95 1nee s ILE 41 Cb -0.05 -4.52 -0.08 0.00 0.13 0.00 0.00 42.46 37.95 1nee s ILE 41 CO -0.04 -0.80 -0.15 1.67 -1.91 0.00 0.00 174.94 173.71 1nee n GLN 42 N 7.42 0.33 -1.36 3.50 0.00 -1.26 -1.87 117.38 124.14 1nee n GLN 42 Ca 0.11 0.10 -0.27 0.00 -0.00 0.00 0.00 57.00 56.94 1nee n GLN 42 Cb 0.48 -1.17 0.01 0.00 0.00 0.00 0.00 30.24 29.56 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nee n ASN 43 N -3.21 6.84 -0.09 1.69 4.13 -1.26 -4.68 115.26 118.68 1nee n ASN 43 Ca -0.26 -3.36 0.26 0.00 1.68 0.00 0.00 54.58 52.90 1nee n ASN 43 Cb 0.74 -1.12 0.61 0.00 -1.54 0.00 0.00 39.78 38.47 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1nee h PHE 44 N 2.39 0.00 0.13 3.10 -5.15 -1.96 0.97 116.94 116.43 1nee h PHE 44 Ca 0.43 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.19 1nee h PHE 44 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.85 1nee h PHE 44 CO 1.23 0.00 -0.06 -0.09 -2.00 0.00 0.00 178.31 177.39 1nee h ARG 45 N 0.00 -0.16 -0.57 6.09 9.65 -1.97 0.18 114.38 127.59 1nee h ARG 45 Ca 0.37 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.19 1nee h ARG 45 Cb 2.08 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 30.67 1nee h ARG 45 CO -0.00 0.09 0.05 1.49 2.80 0.00 0.00 179.97 184.40 1nee h GLU 46 N -1.01 0.97 -0.36 0.20 4.57 -1.50 -2.25 114.58 115.19 1nee h GLU 46 Ca -0.02 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 57.73 1nee h GLU 46 Cb 0.33 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1nee h GLU 46 CO 0.03 0.95 -0.35 0.28 -1.18 0.00 0.00 179.01 178.74 1nee h VAL 47 N 0.86 1.28 0.00 0.32 2.07 0.77 -2.73 116.25 118.83 1nee h VAL 47 Ca 0.17 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1nee h VAL 47 Cb 0.48 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1nee h VAL 47 CO 0.02 0.50 -0.18 0.00 0.02 0.00 0.00 177.57 177.93 1nee h ALA 48 N 0.90 1.58 0.02 1.67 0.00 -0.39 -1.91 119.26 121.13 1nee h ALA 48 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nee h ALA 48 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nee h ALA 48 CO 0.08 0.23 -0.01 0.22 0.00 0.00 0.00 179.25 179.78 1nee h ASP 49 N 0.00 -0.02 -0.59 0.00 1.82 -1.27 -2.20 116.42 114.16 1nee h ASP 49 Ca -0.00 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.76 1nee h ASP 49 Cb 0.35 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.27 1nee h ASP 49 CO 0.02 0.18 0.03 0.00 -1.61 0.00 0.00 179.24 177.87 1nee h ALA 50 N -1.60 0.60 -0.27 -0.78 0.00 -1.56 0.51 119.26 116.17 1nee h ALA 50 Ca -0.00 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1nee h ALA 50 Cb 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nee h ALA 50 CO 0.00 -0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.02 1nee h LEU 51 N 0.15 0.57 -6.43 0.00 5.85 -1.52 -3.35 115.31 110.57 1nee h LEU 51 Ca 0.31 -0.40 -0.37 0.00 0.84 0.00 0.00 57.88 58.26 1nee h LEU 51 Cb 0.48 -0.16 -0.33 0.00 0.37 0.00 0.00 40.66 41.03 1nee h LEU 51 CO -0.47 0.84 -0.68 0.21 -0.34 0.00 0.00 178.44 178.01 1nee s ASN 52 N -6.22 1.51 0.44 1.25 3.04 -0.78 -4.71 114.94 109.47 1nee s ASN 52 Ca -0.13 -1.27 0.38 0.00 0.04 0.00 0.00 52.86 51.88 1nee s ASN 52 Cb 0.08 0.47 1.42 0.00 -1.54 0.00 0.00 41.25 41.68 1nee s ASN 52 CO 0.78 -0.32 1.34 -1.14 -3.04 0.00 0.00 177.10 174.72 1nee n ARG 53 N 4.69 -0.01 -3.50 0.43 0.00 0.10 -4.10 116.66 114.27 1nee n ARG 53 Ca 0.05 0.98 -0.38 0.00 -0.00 0.00 0.00 57.85 58.51 1nee n ARG 53 Cb 0.45 -2.14 -0.06 0.00 0.00 0.00 0.00 32.46 30.71 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 -4.03 6.75 0.01 6.15 1.01 -1.26 -4.83 116.67 120.47 1nee s ASP 54 Ca -0.05 0.89 -0.21 0.00 0.71 0.00 0.00 52.55 53.89 1nee s ASP 54 Cb 0.24 -2.24 -0.19 0.00 1.01 0.00 0.00 42.92 41.74 1nee s ASP 54 CO 0.75 0.27 1.19 1.55 0.21 0.00 0.00 175.17 179.14 1nee h PRO 55 N 5.12 0.34 -0.04 8.23 0.13 -1.86 -2.93 132.00 141.00 1nee h PRO 55 Ca -0.50 -0.27 -0.04 0.00 -0.87 0.00 0.00 66.00 64.33 1nee h PRO 55 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1nee h PRO 55 CO 0.64 0.91 -0.15 1.96 -0.23 0.00 0.00 178.00 181.13 1nee h GLN 56 N -0.14 0.06 0.42 0.86 4.20 -1.95 -2.45 115.11 116.11 1nee h GLN 56 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1nee h GLN 56 Cb 0.96 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1nee h GLN 56 CO 0.07 0.22 -0.20 0.45 -0.67 0.00 0.00 178.83 178.69 1nee h HIS 57 N 0.06 -0.53 -0.92 2.96 3.86 -1.91 -2.85 115.15 115.82 1nee h HIS 57 Ca 0.01 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.46 1nee h HIS 57 Cb 0.31 0.17 -0.13 0.00 1.06 0.00 0.00 27.41 28.82 1nee h HIS 57 CO 0.00 -0.33 0.40 1.25 0.86 0.00 0.00 177.93 180.11 1nee h LEU 58 N -0.93 0.30 0.45 2.43 6.46 -1.48 -0.84 115.31 121.70 1nee h LEU 58 Ca -0.06 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1nee h LEU 58 Cb 0.44 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1nee h LEU 58 CO 0.10 -0.06 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.39 1nee h LEU 59 N 0.34 -1.06 -2.86 2.25 -0.00 -1.48 -0.57 115.31 111.95 1nee h LEU 59 Ca 0.60 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.56 1nee h LEU 59 Cb 1.21 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 42.22 1nee h LEU 59 CO -0.58 -0.56 0.03 0.11 -0.00 0.00 0.00 178.44 177.44 1nee h LYS 60 N -0.85 0.00 -0.00 1.13 6.56 -0.97 -2.10 116.57 120.34 1nee h LYS 60 Ca -0.04 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 1nee h LYS 60 Cb 0.74 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1nee h LYS 60 CO -0.03 0.00 -0.34 0.74 -2.06 0.00 0.00 179.45 177.76 1nee h PHE 61 N 0.00 0.35 -0.73 -1.35 0.04 0.14 0.91 116.94 116.30 1nee h PHE 61 Ca 0.00 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.62 1nee h PHE 61 Cb 0.05 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 1nee h PHE 61 CO 0.00 0.99 0.45 -0.07 -0.60 0.00 0.00 178.31 179.08 1nee h LEU 62 N -0.40 0.73 0.00 1.54 -0.00 -0.48 -1.54 115.31 115.16 1nee h LEU 62 Ca -0.04 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1nee h LEU 62 Cb 1.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1nee h LEU 62 CO 0.07 0.49 -0.26 0.25 -0.00 0.00 0.00 178.44 178.99 1nee h LEU 63 N 0.87 0.00 0.15 1.67 5.85 -1.57 -2.25 115.31 120.03 1nee h LEU 63 Ca 0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1nee h LEU 63 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1nee h LEU 63 CO -0.13 0.22 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.03 1nee h ARG 64 N 0.00 -0.20 0.00 1.25 9.65 0.24 -3.08 114.38 122.25 1nee h ARG 64 Ca -0.00 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1nee h ARG 64 Cb 1.17 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1nee h ARG 64 CO 0.03 -0.12 -0.98 0.93 2.80 0.00 0.00 179.97 182.63 1nee h GLU 65 N -0.21 0.00 -5.26 0.20 5.08 -1.60 -3.44 114.58 109.35 1nee h GLU 65 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1nee h GLU 65 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1nee h GLU 65 CO 0.03 0.28 0.72 1.28 -1.00 0.00 0.00 179.01 180.33 1nee n LEU 66 N -2.96 0.90 0.15 1.33 4.32 -0.85 -3.37 117.00 116.53 1nee n LEU 66 Ca -0.04 -1.12 0.13 0.00 -0.02 0.00 0.00 56.01 54.96 1nee n LEU 66 Cb 0.73 -1.33 0.31 0.00 -1.62 0.00 0.00 43.42 41.52 1nee n LEU 66 CO 0.41 -2.19 0.86 1.23 -1.22 0.00 0.00 177.39 176.48 1nee h GLY 67 N 18.97 0.00 -2.07 -0.72 0.00 -1.83 -3.45 103.07 113.97 1nee h GLY 67 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.89 1nee h GLY 67 CO 1.20 0.00 -0.12 -0.51 0.00 0.00 0.00 176.54 177.10 1nee s THR 68 N -3.15 2.82 0.04 4.70 -4.23 -1.26 -4.99 115.64 109.58 1nee s THR 68 Ca 0.09 -0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.74 1nee s THR 68 Cb 0.09 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1nee s THR 68 CO 0.62 -0.01 0.46 0.00 -0.54 0.00 0.00 174.62 175.16 1nee n ALA 69 N -2.15 -0.15 -1.46 3.99 0.00 -1.26 -4.68 120.51 114.79 1nee n ALA 69 Ca 0.08 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nee n ALA 69 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.06 -3.17 3.71 0.00 0.00 -1.01 -4.99 105.19 98.67 1nee n GLY 70 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 -0.33 -0.47 1.61 3.84 -1.26 -4.88 114.94 113.38 1nee s ASN 71 Ca -0.02 -0.38 -0.24 0.00 0.21 0.00 0.00 52.86 52.43 1nee s ASN 71 Cb 0.00 0.63 0.03 0.00 -0.55 0.00 0.00 41.25 41.36 1nee s ASN 71 CO 0.06 -1.12 0.83 -1.48 -2.79 0.00 0.00 177.10 172.59 1nee s LEU 72 N -2.85 4.20 0.14 3.21 0.05 -1.26 -3.06 118.68 119.11 1nee s LEU 72 Ca 0.08 -0.11 0.04 0.00 0.05 0.00 0.00 54.13 54.20 1nee s LEU 72 Cb -0.04 -2.99 -0.04 0.00 -2.05 0.00 0.00 46.19 41.08 1nee s LEU 72 CO 0.00 -0.98 0.14 -1.61 -0.55 0.00 0.00 176.35 173.35 1nee s GLU 73 N 3.45 2.98 0.31 1.48 0.41 -0.59 -4.83 118.70 121.91 1nee s GLU 73 Ca 0.31 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1nee s GLU 73 Cb -0.12 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1nee s GLU 73 CO 0.23 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.92 1nee n GLY 74 N -0.18 -1.70 0.39 -1.39 0.00 -1.26 -2.40 105.19 98.65 1nee n GLY 74 Ca -0.08 -0.85 0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.16 0.00 0.00 -0.02 0.00 -2.02 -3.42 103.07 96.45 1nee h GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1nee h GLY 75 CO 0.02 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.43 1nee n ARG 76 N -4.08 1.23 -2.63 4.80 3.00 -1.25 -5.00 116.66 112.74 1nee n ARG 76 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.53 1nee n ARG 76 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.10 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 77 N -3.00 6.02 -2.27 5.13 0.00 -0.78 -4.16 120.51 121.45 1nee n ALA 77 Ca 0.00 -4.59 -0.33 0.00 0.00 0.00 0.00 53.44 48.52 1nee n ALA 77 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 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 -3.89 3.66 0.57 0.00 1.01 -1.01 -2.47 121.20 119.08 1nee s ILE 78 Ca 0.39 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1nee s ILE 78 Cb 0.17 -4.49 0.06 0.00 0.01 0.00 0.00 42.46 38.21 1nee s ILE 78 CO -0.10 -1.38 0.79 -1.48 0.00 0.00 0.00 174.94 172.78 1nee s LEU 79 N 7.93 3.24 -0.04 2.97 0.05 -0.59 -1.55 118.68 130.69 1nee s LEU 79 Ca 0.60 -0.37 -0.02 0.00 0.05 0.00 0.00 54.13 54.40 1nee s LEU 79 Cb -0.03 -2.33 0.03 0.00 -2.05 0.00 0.00 46.19 41.81 1nee s LEU 79 CO -0.03 -1.29 0.07 0.00 -0.55 0.00 0.00 176.35 174.55 1nee s GLN 80 N -4.75 -0.03 0.00 1.48 0.00 -1.26 -1.01 119.66 114.08 1nee s GLN 80 Ca 0.60 0.33 0.00 0.00 -0.00 0.00 0.00 55.36 56.30 1nee s GLN 80 Cb -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 33.01 32.58 1nee s GLN 80 CO 0.39 -0.25 0.00 0.41 0.00 0.00 0.00 175.29 175.84 1nee n GLY 81 N 4.78 -0.35 0.00 2.60 0.00 -1.09 -2.42 105.19 108.71 1nee n GLY 81 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1nee n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nee n LYS 82 N 0.00 2.66 -0.94 1.61 5.02 -1.22 -4.59 118.16 120.71 1nee n LYS 82 Ca 0.00 -0.25 -0.12 0.00 -2.02 0.00 0.00 58.31 55.92 1nee n LYS 82 Cb 0.00 -0.74 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nee n PHE 83 N -0.45 0.38 -1.50 2.13 3.01 -1.26 -4.73 117.46 115.04 1nee n PHE 83 Ca 0.00 -1.48 -0.42 0.00 1.01 0.00 0.00 57.45 56.56 1nee n PHE 83 Cb 0.01 -1.23 -0.02 0.00 -0.01 0.00 0.00 39.48 38.23 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N 1.81 2.91 -3.77 4.37 -2.24 -1.26 -4.38 114.28 111.72 1nee n THR 84 Ca 0.32 -2.48 -0.29 0.00 -2.27 0.00 0.00 64.05 59.33 1nee n THR 84 Cb 0.73 -2.50 -0.01 0.00 -2.10 0.00 0.00 70.33 66.44 1nee n THR 84 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1nee n HIS 85 N 6.42 -1.79 0.00 4.78 -0.00 -1.26 -4.78 115.22 118.58 1nee n HIS 85 Ca 0.52 0.63 0.00 0.00 0.46 0.00 0.00 57.72 59.33 1nee n HIS 85 Cb 0.38 -2.91 0.00 0.00 -0.12 0.00 0.00 29.99 27.34 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1nee n PHE 86 N -4.13 0.00 0.16 1.57 3.01 -1.26 -4.13 117.46 112.68 1nee n PHE 86 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.54 1nee n PHE 86 Cb 0.51 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.15 0.40 4.37 -0.00 -1.90 -2.71 115.31 115.62 1nee h LEU 87 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1nee h LEU 87 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1nee h LEU 87 CO 0.00 0.27 -0.36 0.40 -0.00 0.00 0.00 178.44 178.75 1nee h ILE 88 N 0.16 0.00 -0.30 1.22 2.04 -1.92 0.28 117.51 118.99 1nee h ILE 88 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1nee h ILE 88 Cb 0.27 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1nee h ILE 88 CO 0.01 0.00 -0.00 -1.13 0.00 0.00 0.00 178.15 177.03 1nee h ASN 89 N -0.74 -0.12 -0.04 1.72 -1.24 -1.70 0.68 115.58 114.14 1nee h ASN 89 Ca -0.05 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.06 1nee h ASN 89 Cb 0.63 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.76 1nee h ASN 89 CO -0.02 -0.03 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.80 1nee h GLU 90 N 0.09 -0.31 0.03 6.67 4.81 -1.39 0.18 114.58 124.65 1nee h GLU 90 Ca 0.14 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1nee h GLU 90 Cb 0.19 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1nee h GLU 90 CO -0.24 -0.21 -0.02 0.00 -0.73 0.00 0.00 179.01 177.82 1nee h ARG 91 N -0.32 -0.04 0.52 1.92 2.47 -0.68 -0.16 114.38 118.08 1nee h ARG 91 Ca 0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1nee h ARG 91 Cb 0.42 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1nee h ARG 91 CO -0.23 0.09 -0.35 0.82 0.56 0.00 0.00 179.97 180.86 1nee h ILE 92 N -0.16 0.27 -0.08 2.04 2.04 -0.68 -1.71 117.51 119.23 1nee h ILE 92 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1nee h ILE 92 Cb 0.15 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1nee h ILE 92 CO 0.01 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.90 1nee h GLU 93 N -0.84 0.00 -0.37 2.37 3.07 -0.66 0.29 114.58 118.44 1nee h GLU 93 Ca -0.06 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1nee h GLU 93 Cb 0.70 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1nee h GLU 93 CO 0.04 0.00 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.10 1nee h ASP 94 N 0.00 0.73 0.00 1.42 3.32 -0.19 -0.72 116.42 120.98 1nee h ASP 94 Ca 0.04 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1nee h ASP 94 Cb 0.19 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1nee h ASP 94 CO -0.00 0.94 -0.40 1.88 -1.72 0.00 0.00 179.24 179.93 1nee h TYR 95 N 0.52 0.00 -0.86 4.55 0.05 -0.44 -2.93 116.97 117.86 1nee h TYR 95 Ca 0.09 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.92 1nee h TYR 95 Cb 0.63 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.32 1nee h TYR 95 CO 0.05 0.12 0.56 -0.24 -1.05 0.00 0.00 178.16 177.61 1nee h VAL 96 N -1.00 1.10 -1.57 -2.88 3.04 -0.62 -2.33 116.25 111.98 1nee h VAL 96 Ca -0.02 -0.35 -0.66 0.00 -1.01 0.00 0.00 66.70 64.66 1nee h VAL 96 Cb 0.43 -0.00 -0.35 0.00 -2.01 0.00 0.00 31.29 29.36 1nee h VAL 96 CO -0.01 0.18 0.07 -3.20 -1.01 0.00 0.00 177.57 173.60 1nee n ASN 97 N -4.47 6.04 0.02 3.17 5.15 -0.28 -4.67 115.26 120.23 1nee n ASN 97 Ca 0.12 -3.77 0.13 0.00 -0.60 0.00 0.00 54.58 50.46 1nee n ASN 97 Cb 0.16 -0.72 0.47 0.00 -0.53 0.00 0.00 39.78 39.16 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1nee n LYS 98 N -0.56 0.05 0.18 1.20 -0.00 -0.88 -3.31 118.16 114.84 1nee n LYS 98 Ca 0.47 0.03 -0.12 0.00 -0.00 0.00 0.00 58.31 58.69 1nee n LYS 98 Cb 0.53 -1.55 -0.07 0.00 -0.00 0.00 0.00 35.03 33.94 1nee n LYS 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1nee h PHE 99 N 0.00 -0.46 -0.02 5.58 3.57 -1.84 0.97 116.94 124.75 1nee h PHE 99 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1nee h PHE 99 Cb 0.55 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1nee h PHE 99 CO 0.00 -0.13 0.00 1.55 -2.23 0.00 0.00 178.31 177.50 1nee n VAL 100 N -5.14 0.01 -0.07 1.41 3.14 -1.26 0.98 118.33 117.40 1nee n VAL 100 Ca -0.09 -0.19 -0.14 0.00 -2.96 0.00 0.00 64.34 60.96 1nee n VAL 100 Cb 0.28 0.24 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 1nee n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nee n ILE 101 N -0.12 0.81 0.06 1.55 0.00 -1.21 -4.61 119.36 115.85 1nee n ILE 101 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 62.75 62.63 1nee n ILE 101 Cb 0.29 -1.50 0.05 0.00 0.00 0.00 0.00 39.64 38.48 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 0.19 -1.88 -3.47 0.00 8.25 -1.25 -2.78 115.22 114.28 1nee n HIS 103 Ca 0.18 0.82 -0.16 0.00 -0.26 0.00 0.00 57.72 58.29 1nee n HIS 103 Cb 0.78 -3.77 0.00 0.00 1.12 0.00 0.00 29.99 28.12 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -4.44 -1.54 -0.59 -0.41 2.13 0.28 -4.78 120.64 111.29 1nee n GLU 104 Ca -0.15 1.14 -0.03 0.00 0.66 0.00 0.00 57.16 58.78 1nee n GLU 104 Cb 0.61 -3.64 -0.05 0.00 0.27 0.00 0.00 31.44 28.63 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 1.85 0.00 -4.78 0.00 3.02 -1.26 -4.85 115.26 109.23 1nee n ASN 106 Ca 0.12 0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 54.87 1nee n ASN 106 Cb 0.56 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 1nee n ASN 106 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1nee s ARG 107 N -1.40 4.09 0.00 3.52 1.81 -1.26 -4.72 118.95 120.99 1nee s ARG 107 Ca 0.00 1.49 -0.19 0.00 -1.72 0.00 0.00 55.73 55.31 1nee s ARG 107 Cb 0.00 -2.46 -0.23 0.00 -0.45 0.00 0.00 34.95 31.81 1nee s ARG 107 CO 0.00 -0.20 1.33 -2.30 -0.68 0.00 0.00 175.30 173.45 1nee n PRO 108 N -0.24 0.00 0.00 3.54 -0.02 -1.26 -4.38 135.00 132.64 1nee n PRO 108 Ca 0.06 -0.78 0.12 0.00 -2.02 0.00 0.00 63.50 60.88 1nee n PRO 108 Cb 0.50 -2.26 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 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 7.33 0.55 -3.60 2.55 8.00 -1.26 -4.95 116.55 125.18 1nee n ASP 109 Ca 0.28 -0.33 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1nee n ASP 109 Cb 0.26 0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.62 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 -3.00 0.00 -0.64 -3.53 -4.23 -1.26 -4.86 115.64 98.12 1nee s THR 110 Ca 0.11 -1.84 -0.21 0.00 -1.18 0.00 0.00 61.69 58.56 1nee s THR 110 Cb 0.17 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1nee s THR 110 CO 0.72 0.00 0.88 -0.13 -0.54 0.00 0.00 174.62 175.55 1nee s ARG 111 N -3.57 3.09 -0.21 3.99 1.81 -1.26 -5.02 118.95 117.78 1nee s ARG 111 Ca 0.36 -0.97 -0.13 0.00 -1.72 0.00 0.00 55.73 53.27 1nee s ARG 111 Cb 0.03 -4.24 -0.05 0.00 -0.45 0.00 0.00 34.95 30.24 1nee s ARG 111 CO 0.20 -1.73 0.25 0.42 -0.68 0.00 0.00 175.30 173.77 1nee s ILE 112 N 3.64 5.31 -0.01 1.52 1.01 -1.26 -4.42 121.20 126.99 1nee s ILE 112 Ca 0.19 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1nee s ILE 112 Cb -0.19 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.70 1nee s ILE 112 CO 0.09 0.34 -0.01 -0.63 0.00 0.00 0.00 174.94 174.73 1nee s ILE 113 N 0.92 0.14 -0.01 2.92 1.09 -1.25 -4.99 121.20 120.03 1nee s ILE 113 Ca 0.13 0.00 0.02 0.00 -1.10 0.00 0.00 60.65 59.70 1nee s ILE 113 Cb -0.13 -0.18 -0.00 0.00 -1.06 0.00 0.00 42.46 41.08 1nee s ILE 113 CO 0.04 0.08 -0.07 0.00 -0.10 0.00 0.00 174.94 174.90 1nee s ARG 114 N 0.43 0.56 0.02 2.79 3.03 -1.26 -2.18 118.95 122.35 1nee s ARG 114 Ca -0.04 -0.24 0.01 0.00 2.03 0.00 0.00 55.73 57.49 1nee s ARG 114 Cb -0.06 -0.55 -0.02 0.00 -1.03 0.00 0.00 34.95 33.29 1nee s ARG 114 CO -0.01 0.14 -0.05 -2.00 -1.13 0.00 0.00 175.30 172.25 1nee s GLU 115 N -0.14 0.39 0.00 3.89 2.56 -1.05 -4.86 118.70 119.49 1nee s GLU 115 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.97 54.43 1nee s GLU 115 Cb -0.03 -0.14 0.00 0.00 2.00 0.00 0.00 34.13 35.96 1nee s GLU 115 CO -0.00 0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 1nee n GLY 116 N 1.86 0.93 3.00 -1.50 0.00 -1.26 -2.12 105.19 106.10 1nee n GLY 116 Ca -0.21 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -1.53 -1.56 -3.29 1.61 1.74 -1.26 -3.80 116.66 108.57 1nee n ARG 117 Ca 0.00 1.16 -0.15 0.00 -0.77 0.00 0.00 57.85 58.09 1nee n ARG 117 Cb 0.19 -5.45 0.08 0.00 -1.02 0.00 0.00 32.46 26.26 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 -2.27 -7.09 -0.02 0.55 5.41 -1.26 -4.84 119.36 109.84 1nee n ILE 118 Ca -0.03 -0.83 -0.03 0.00 1.00 0.00 0.00 62.75 62.86 1nee n ILE 118 Cb 0.55 -5.54 -0.02 0.00 -0.71 0.00 0.00 39.64 33.92 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 -3.09 2.72 -4.30 4.38 2.88 -1.18 -4.61 113.62 110.42 1nee n SER 119 Ca -0.19 -0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.17 1nee n SER 119 Cb 0.64 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 1nee n SER 119 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1nee s LEU 120 N -5.49 2.50 -0.27 2.46 0.05 -0.90 -4.85 118.68 112.16 1nee s LEU 120 Ca -0.05 -0.94 -0.25 0.00 0.05 0.00 0.00 54.13 52.94 1nee s LEU 120 Cb 0.01 -0.60 0.08 0.00 -2.05 0.00 0.00 46.19 43.64 1nee s LEU 120 CO 0.08 -0.18 0.80 -0.22 -0.55 0.00 0.00 176.35 176.28 1nee s LEU 121 N -2.98 -0.68 -0.01 1.48 0.20 -1.05 -2.54 118.68 113.11 1nee s LEU 121 Ca 0.17 1.30 0.06 0.00 0.69 0.00 0.00 54.13 56.35 1nee s LEU 121 Cb -0.02 2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 48.03 1nee s LEU 121 CO 0.05 -0.22 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.17 1nee s LYS 122 N 0.37 2.27 -0.32 1.98 3.01 -0.93 -2.97 119.74 123.15 1nee s LYS 122 Ca 0.01 -0.85 0.17 0.00 -1.01 0.00 0.00 55.97 54.29 1nee s LYS 122 Cb -0.05 -2.26 0.46 0.00 -1.01 0.00 0.00 37.83 34.97 1nee s LYS 122 CO -0.01 0.58 1.07 0.00 0.51 0.00 0.00 175.35 177.49 1nee h GLU 124 N 2.69 0.00 0.01 0.00 4.11 -1.84 -2.58 114.58 116.97 1nee h GLU 124 Ca -0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 1nee h GLU 124 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1nee h GLU 124 CO 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 179.01 179.40 1nee h ALA 125 N 1.62 -0.65 -0.04 1.06 0.00 -1.92 -3.25 119.26 116.08 1nee h ALA 125 Ca 0.20 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1nee h ALA 125 Cb 0.97 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1nee h ALA 125 CO -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 179.25 178.48 1nee n GLY 127 N 1.80 0.69 3.34 0.00 0.00 -1.09 -4.76 105.19 105.17 1nee n GLY 127 Ca 0.20 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.09 0.03 4.61 0.00 -0.99 -3.77 121.76 118.55 1nee s ALA 128 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 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 -0.42 -0.01 0.15 0.00 0.00 0.00 175.76 175.49 1nee s LYS 129 N -2.12 0.43 -0.61 0.00 -0.14 -1.26 -4.67 119.74 111.38 1nee s LYS 129 Ca -0.07 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 53.49 1nee s LYS 129 Cb -0.02 0.15 0.03 0.00 -1.68 0.00 0.00 37.83 36.32 1nee s LYS 129 CO 0.00 -0.08 1.16 0.00 -0.76 0.00 0.00 175.35 175.68 1nee s ALA 130 N -2.22 2.98 -1.96 5.17 0.00 -1.16 -4.50 121.76 120.07 1nee s ALA 130 Ca -0.09 -1.01 0.21 0.00 0.00 0.00 0.00 51.96 51.08 1nee s ALA 130 Cb -0.04 -4.03 1.25 0.00 0.00 0.00 0.00 23.12 20.30 1nee s ALA 130 CO -0.04 -2.73 1.65 -0.35 0.00 0.00 0.00 175.76 174.29 1nee n PRO 131 N 8.44 0.64 -3.15 0.00 -0.04 -1.20 -2.54 135.00 137.14 1nee n PRO 131 Ca 0.06 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1nee n PRO 131 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1nee n PRO 131 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1nee n LEU 132 N -1.02 -6.09 0.00 1.53 -0.00 -1.26 -4.52 117.00 105.64 1nee n LEU 132 Ca 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1nee n LEU 132 Cb 0.08 -2.99 0.00 0.00 -0.00 0.00 0.00 43.42 40.51 1nee n LEU 132 CO 0.12 -1.11 0.00 0.29 -0.00 0.00 0.00 177.39 176.69 1nee n LYS 133 N -1.49 0.00 -1.90 1.96 4.76 -1.26 -4.98 118.16 115.26 1nee n LYS 133 Ca -0.03 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.40 1nee n LYS 133 Cb 0.53 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.71 1nee n LYS 133 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1nee n ASN 134 N -0.45 -2.03 -0.13 4.39 2.85 -1.26 -5.31 115.26 113.32 1nee n ASN 134 Ca 0.00 0.48 0.02 0.00 -0.11 0.00 0.00 54.58 54.97 1nee n ASN 134 Cb 0.00 -2.52 0.01 0.00 1.24 0.00 0.00 39.78 38.51 1nee n ASN 134 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70