#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 4.69 -0.07 6.12 9.92 -1.26 -4.59 116.55 131.37 1nee n ASP 2 Ca 0.00 -3.77 -0.22 0.00 -0.53 0.00 0.00 54.79 50.27 1nee n ASP 2 Cb 0.00 -0.66 -0.12 0.00 -0.64 0.00 0.00 41.12 39.70 1nee n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nee n ASP 3 N -0.95 2.00 -3.68 -2.24 8.00 -1.26 -4.82 116.55 113.61 1nee n ASP 3 Ca 0.47 0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.91 1nee n ASP 3 Cb 0.97 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 1nee n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1nee s TYR 4 N -2.49 1.46 0.36 1.24 2.02 -1.26 -5.13 117.35 113.57 1nee s TYR 4 Ca -0.28 -1.73 -0.16 0.00 -0.37 0.00 0.00 57.07 54.52 1nee s TYR 4 Cb 0.08 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.99 1nee s TYR 4 CO 0.65 -0.85 0.81 -1.21 -1.57 0.00 0.00 175.55 173.38 1nee s GLU 5 N 1.40 4.05 0.00 -0.62 0.41 -1.26 -5.04 118.70 117.65 1nee s GLU 5 Ca 0.12 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 1nee s GLU 5 Cb -0.19 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1nee s GLU 5 CO -0.20 0.08 0.00 1.17 -0.49 0.00 0.00 175.26 175.82 1nee n LYS 6 N -0.54 0.00 -0.59 1.61 3.00 -1.26 -4.93 118.16 115.45 1nee n LYS 6 Ca 0.05 0.17 -0.01 0.00 -0.00 0.00 0.00 58.31 58.52 1nee n LYS 6 Cb 0.53 -0.66 -0.01 0.00 0.00 0.00 0.00 35.03 34.89 1nee n LYS 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1nee n LEU 7 N -2.29 -0.06 -3.57 3.14 4.77 -1.26 -4.99 117.00 112.74 1nee n LEU 7 Ca 0.00 -1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 54.43 1nee n LEU 7 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nee n LEU 7 CO 0.00 0.85 2.35 0.18 -1.33 0.00 0.00 177.39 179.44 1nee n LEU 8 N 0.02 7.75 -1.97 2.23 4.32 -1.26 -4.08 117.00 124.01 1nee n LEU 8 Ca -0.03 -4.80 -0.01 0.00 -0.02 0.00 0.00 56.01 51.16 1nee n LEU 8 Cb 0.60 -1.40 0.04 0.00 -1.62 0.00 0.00 43.42 41.04 1nee n LEU 8 CO -0.02 1.89 0.40 -1.84 -1.22 0.00 0.00 177.39 176.61 1nee n GLU 9 N 2.37 0.47 -4.08 3.23 0.28 -1.26 -5.13 120.64 116.53 1nee n GLU 9 Ca 0.58 -0.46 -0.31 0.00 -0.16 0.00 0.00 57.16 56.80 1nee n GLU 9 Cb 0.27 0.14 -0.07 0.00 1.43 0.00 0.00 31.44 33.21 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 0.05 2.92 -1.09 3.44 6.06 -1.26 -4.51 118.95 124.56 1nee s ARG 10 Ca 0.03 -0.63 -0.07 0.00 -2.50 0.00 0.00 55.73 52.56 1nee s ARG 10 Cb 0.16 -2.76 0.01 0.00 0.06 0.00 0.00 34.95 32.42 1nee s ARG 10 CO -0.04 0.59 0.96 0.00 -2.50 0.00 0.00 175.30 174.30 1nee n ALA 11 N 0.72 -1.08 -1.96 6.12 0.00 -1.26 -4.97 120.51 118.08 1nee n ALA 11 Ca -0.10 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nee n ALA 11 Cb 0.52 -4.50 0.00 0.00 0.00 0.00 0.00 19.45 15.47 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N -4.50 0.00 0.00 0.00 5.41 -1.26 -4.63 119.36 114.38 1nee n ILE 12 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1nee n ILE 12 Cb 0.55 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 1nee n ILE 12 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nee n ASP 13 N 0.00 4.42 0.02 4.38 -0.08 -1.26 -4.64 116.55 119.38 1nee n ASP 13 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1nee n ASP 13 Cb 0.00 0.67 0.51 0.00 2.34 0.00 0.00 41.12 44.64 1nee n ASP 13 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1nee n GLN 14 N -1.56 0.04 -4.31 -0.67 0.00 -1.26 -4.70 117.38 104.92 1nee n GLN 14 Ca 0.00 0.11 -0.34 0.00 -0.00 0.00 0.00 57.00 56.77 1nee n GLN 14 Cb 0.21 -1.55 -0.12 0.00 0.00 0.00 0.00 30.24 28.78 1nee n GLN 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1nee s LEU 15 N -3.24 3.30 0.41 1.69 2.96 -1.26 -5.07 118.68 117.47 1nee s LEU 15 Ca 0.11 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.65 1nee s LEU 15 Cb 0.15 -1.81 -0.11 0.00 0.50 0.00 0.00 46.19 44.93 1nee s LEU 15 CO 0.46 0.15 1.04 -0.81 -1.32 0.00 0.00 176.35 175.87 1nee n PRO 16 N 3.67 1.43 -1.59 0.98 -0.04 -1.26 -4.73 135.00 133.45 1nee n PRO 16 Ca -0.17 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.66 1nee n PRO 16 Cb 0.52 -2.07 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 1nee n PRO 16 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nee s PRO 17 N -2.00 1.26 0.00 0.54 0.04 -1.26 -4.21 135.00 129.36 1nee s PRO 17 Ca 0.62 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1nee s PRO 17 Cb -0.56 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1nee s PRO 17 CO 0.57 -5.26 0.00 -1.91 0.04 0.00 0.00 177.00 170.45 1nee n GLU 18 N 8.36 0.00 -2.36 4.56 4.07 -1.26 -4.94 120.64 129.07 1nee n GLU 18 Ca 0.43 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 57.13 1nee n GLU 18 Cb 0.46 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.86 1nee n GLU 18 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1nee n VAL 19 N -2.45 5.01 -3.17 6.31 0.31 -1.26 -5.00 118.33 118.09 1nee n VAL 19 Ca 0.00 -5.29 -0.24 0.00 -0.01 0.00 0.00 64.34 58.80 1nee n VAL 19 Cb 0.00 -1.42 -0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1nee n VAL 19 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1nee s PHE 20 N -4.21 3.45 0.00 3.52 -0.12 -1.26 -4.84 117.98 114.53 1nee s PHE 20 Ca 0.45 0.40 0.00 0.00 -0.05 0.00 0.00 56.93 57.73 1nee s PHE 20 Cb 0.29 -2.05 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 1nee s PHE 20 CO -0.25 -0.05 0.00 -1.91 -0.05 0.00 0.00 175.22 172.96 1nee n GLU 21 N -1.93 0.00 -3.82 1.99 2.13 -1.26 -5.07 120.64 112.67 1nee n GLU 21 Ca -0.03 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.43 1nee n GLU 21 Cb 0.56 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.14 1nee n GLU 21 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nee s THR 22 N 0.00 3.67 0.26 6.31 2.01 -1.26 -5.10 115.64 121.53 1nee s THR 22 Ca 0.00 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1nee s THR 22 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1nee s THR 22 CO 0.00 0.14 0.43 -0.75 -0.69 0.00 0.00 174.62 173.76 1nee s LYS 23 N 1.46 3.48 -0.86 4.92 2.20 -1.26 -4.99 119.74 124.68 1nee s LYS 23 Ca 0.02 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1nee s LYS 23 Cb -0.17 -2.80 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1nee s LYS 23 CO 0.00 0.32 3.04 0.54 -0.36 0.00 0.00 175.35 178.90 1nee n ARG 24 N -1.27 3.12 -2.62 4.03 1.74 -1.26 -4.76 116.66 115.64 1nee n ARG 24 Ca -0.06 -2.07 -0.42 0.00 -0.77 0.00 0.00 57.85 54.53 1nee n ARG 24 Cb 0.56 -2.41 0.01 0.00 -1.02 0.00 0.00 32.46 29.60 1nee n ARG 24 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nee n PHE 25 N 2.46 2.55 -3.61 -1.55 3.72 -1.26 -4.87 117.46 114.89 1nee n PHE 25 Ca 0.60 -2.66 -0.01 0.00 -0.05 0.00 0.00 57.45 55.33 1nee n PHE 25 Cb 0.50 -1.51 -0.04 0.00 -0.94 0.00 0.00 39.48 37.49 1nee n PHE 25 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1nee s GLU 26 N -1.96 0.54 -0.20 -1.08 2.12 -1.26 -5.15 118.70 111.72 1nee s GLU 26 Ca 0.38 1.33 -0.05 0.00 0.36 0.00 0.00 54.97 56.99 1nee s GLU 26 Cb 0.10 0.76 0.10 0.00 0.26 0.00 0.00 34.13 35.35 1nee s GLU 26 CO 0.01 -0.18 0.37 0.08 -0.54 0.00 0.00 175.26 175.00 1nee s VAL 27 N 2.73 -0.57 -0.68 3.70 1.01 -1.26 -5.10 120.40 120.23 1nee s VAL 27 Ca -0.06 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 1nee s VAL 27 Cb -0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 36.38 35.47 1nee s VAL 27 CO -0.19 0.00 2.47 -2.65 0.00 0.00 0.00 175.10 174.73 1nee n PRO 28 N 5.37 0.68 -3.67 2.72 -0.02 -1.26 -4.88 135.00 133.93 1nee n PRO 28 Ca -0.06 -0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.16 1nee n PRO 28 Cb 0.50 -2.91 -0.08 0.00 -0.02 0.00 0.00 33.50 30.99 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 8.48 0.68 -0.17 -0.52 -0.14 -1.26 -5.17 119.74 121.64 1nee s LYS 29 Ca 1.08 0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 56.24 1nee s LYS 29 Cb -0.45 0.31 0.09 0.00 -1.68 0.00 0.00 37.83 36.10 1nee s LYS 29 CO 0.31 -0.09 0.83 0.00 -0.76 0.00 0.00 175.35 175.64 1nee s ALA 30 N 0.42 -1.85 0.11 5.17 0.00 -1.26 -4.99 121.76 119.36 1nee s ALA 30 Ca -0.01 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1nee s ALA 30 Cb -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1nee s ALA 30 CO -0.01 -0.32 0.00 2.48 0.00 0.00 0.00 175.76 177.91 1nee n TYR 31 N 1.49 -2.40 -2.11 0.00 4.11 -1.26 -4.84 117.16 112.14 1nee n TYR 31 Ca -0.15 0.61 -0.26 0.00 -0.00 0.00 0.00 57.90 58.10 1nee n TYR 31 Cb 0.57 -1.09 0.17 0.00 -0.00 0.00 0.00 39.34 38.99 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 -4.13 0.47 -3.80 9.48 7.64 -1.26 -4.61 113.62 117.41 1nee n SER 32 Ca 0.00 -1.66 -0.14 0.00 1.01 0.00 0.00 58.87 58.08 1nee n SER 32 Cb 0.22 -0.87 -0.15 0.00 -1.01 0.00 0.00 64.21 62.40 1nee n SER 32 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1nee s VAL 33 N -3.55 -0.04 0.09 0.44 -7.23 -1.26 -4.78 120.40 104.08 1nee s VAL 33 Ca 0.70 0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 60.80 1nee s VAL 33 Cb -0.02 -0.06 -0.07 0.00 0.56 0.00 0.00 36.38 36.79 1nee s VAL 33 CO 0.48 0.06 0.63 -0.51 -0.31 0.00 0.00 175.10 175.45 1nee s ILE 34 N 0.71 4.65 -0.30 -0.62 -1.16 -1.26 -1.67 121.20 121.55 1nee s ILE 34 Ca -0.06 1.35 0.04 0.00 -0.51 0.00 0.00 60.65 61.47 1nee s ILE 34 Cb -0.09 -3.97 0.18 0.00 0.61 0.00 0.00 42.46 39.20 1nee s ILE 34 CO -0.02 0.54 0.50 -1.58 -2.81 0.00 0.00 174.94 171.57 1nee s GLN 35 N -1.07 0.51 0.00 3.50 0.74 -0.83 -4.98 119.66 117.54 1nee s GLN 35 Ca 0.31 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.96 1nee s GLN 35 Cb -0.20 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 33.84 1nee s GLN 35 CO 0.21 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 1nee n GLY 36 N 5.28 1.20 0.66 2.59 0.00 -1.26 -2.20 105.19 111.46 1nee n GLY 36 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 2.57 -0.41 -4.03 1.61 5.15 -1.26 -5.14 115.26 113.75 1nee n ASN 37 Ca 0.00 -1.23 -0.08 0.00 -0.60 0.00 0.00 54.58 52.66 1nee n ASN 37 Cb 0.00 0.12 -0.11 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.00 0.46 -0.22 1.20 1.70 -0.93 -2.29 118.95 118.87 1nee s ARG 38 Ca 0.00 -0.90 -0.06 0.00 -0.47 0.00 0.00 55.73 54.30 1nee s ARG 38 Cb 0.00 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1nee s ARG 38 CO 0.00 -0.07 0.04 -0.08 -1.08 0.00 0.00 175.30 174.10 1nee s THR 39 N -2.60 4.22 -1.23 4.99 -1.32 -0.53 -1.96 115.64 117.22 1nee s THR 39 Ca -0.05 -0.21 -0.07 0.00 -1.21 0.00 0.00 61.69 60.14 1nee s THR 39 Cb -0.02 -2.94 0.20 0.00 -1.51 0.00 0.00 72.50 68.24 1nee s THR 39 CO -0.05 0.39 1.84 0.49 -2.21 0.00 0.00 174.62 175.08 1nee n PHE 40 N 4.45 2.70 -1.70 9.09 3.01 -0.67 -1.03 117.46 133.32 1nee n PHE 40 Ca -0.17 -2.72 -0.43 0.00 1.01 0.00 0.00 57.45 55.14 1nee n PHE 40 Cb 0.52 -1.74 -0.03 0.00 -0.01 0.00 0.00 39.48 38.22 1nee n PHE 40 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1nee n ILE 41 N 2.52 0.23 0.00 4.37 5.41 -0.10 -4.28 119.36 127.51 1nee n ILE 41 Ca 0.39 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1nee n ILE 41 Cb 0.34 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 1nee n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nee n GLN 42 N 4.94 2.36 -2.11 0.38 6.02 -1.26 -1.98 117.38 125.73 1nee n GLN 42 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1nee n GLN 42 Cb 0.35 -0.94 0.03 0.00 1.02 0.00 0.00 30.24 30.69 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 -2.02 6.17 0.22 1.08 3.02 -1.26 -4.81 115.26 117.66 1nee n ASN 43 Ca 0.00 -3.78 0.11 0.00 -0.03 0.00 0.00 54.58 50.88 1nee n ASN 43 Cb 0.44 -0.75 0.39 0.00 -0.61 0.00 0.00 39.78 39.25 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 2.68 0.00 0.00 3.10 3.04 -1.94 0.46 116.94 124.27 1nee h PHE 44 Ca 0.45 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.40 1nee h PHE 44 Cb 0.58 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1nee h PHE 44 CO 1.03 0.00 -0.00 -0.09 -2.02 0.00 0.00 178.31 177.22 1nee h ARG 45 N 0.00 -0.00 -0.25 1.11 1.12 -1.97 -1.60 114.38 112.79 1nee h ARG 45 Ca 0.10 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 1nee h ARG 45 Cb 1.66 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.61 1nee h ARG 45 CO -0.00 0.02 0.10 1.49 -3.11 0.00 0.00 179.97 178.46 1nee h GLU 46 N -1.00 0.37 -0.87 0.20 4.57 -1.53 -2.19 114.58 114.14 1nee h GLU 46 Ca -0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1nee h GLU 46 Cb 0.02 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1nee h GLU 46 CO 0.00 0.42 0.53 0.28 -1.18 0.00 0.00 179.01 179.06 1nee h VAL 47 N 0.25 1.24 -0.08 0.32 2.07 -0.34 -2.26 116.25 117.44 1nee h VAL 47 Ca 0.08 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1nee h VAL 47 Cb 0.19 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1nee h VAL 47 CO -0.01 0.25 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 1nee h ALA 48 N 1.39 1.68 0.05 1.67 0.00 -0.84 -2.24 119.26 120.97 1nee h ALA 48 Ca 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nee h ALA 48 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1nee h ALA 48 CO -0.06 0.24 -0.03 -0.44 0.00 0.00 0.00 179.25 178.96 1nee h ASP 49 N 0.12 -0.06 -0.51 0.00 5.19 -0.81 -2.36 116.42 117.98 1nee h ASP 49 Ca 0.03 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.54 1nee h ASP 49 Cb 0.26 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.71 1nee h ASP 49 CO 0.02 0.11 0.02 0.00 -3.12 0.00 0.00 179.24 176.27 1nee h ALA 50 N -1.66 0.50 -0.52 3.45 0.00 -1.58 0.19 119.26 119.65 1nee h ALA 50 Ca -0.01 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1nee h ALA 50 Cb 0.06 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nee h ALA 50 CO 0.01 -0.37 -0.10 1.25 0.00 0.00 0.00 179.25 180.04 1nee h LEU 51 N 0.14 0.95 -6.17 0.00 5.85 -1.58 -3.33 115.31 111.16 1nee h LEU 51 Ca 0.26 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1nee h LEU 51 Cb 0.39 -0.26 -0.25 0.00 0.37 0.00 0.00 40.66 40.91 1nee h LEU 51 CO -0.41 1.06 -0.50 0.20 -0.34 0.00 0.00 178.44 178.45 1nee s ASN 52 N -6.66 -0.42 0.49 1.25 0.01 -0.59 -4.71 114.94 104.31 1nee s ASN 52 Ca -0.11 -0.43 0.44 0.00 -0.71 0.00 0.00 52.86 52.05 1nee s ASN 52 Cb 0.13 1.45 1.52 0.00 0.41 0.00 0.00 41.25 44.76 1nee s ASN 52 CO 0.85 -0.30 1.36 0.54 -1.51 0.00 0.00 177.10 178.05 1nee n ARG 53 N 5.08 0.00 -3.53 -0.60 3.00 0.58 -4.06 116.66 117.13 1nee n ARG 53 Ca 0.05 0.95 -0.38 0.00 -0.01 0.00 0.00 57.85 58.46 1nee n ARG 53 Cb 0.51 -2.19 -0.06 0.00 0.00 0.00 0.00 32.46 30.72 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 -3.88 6.76 -0.01 0.55 1.01 -1.26 -4.81 116.67 115.04 1nee s ASP 54 Ca -0.04 0.91 -0.22 0.00 0.71 0.00 0.00 52.55 53.90 1nee s ASP 54 Cb 0.23 -2.23 -0.20 0.00 1.01 0.00 0.00 42.92 41.73 1nee s ASP 54 CO 0.78 0.32 1.17 1.55 0.21 0.00 0.00 175.17 179.20 1nee h PRO 55 N 4.82 0.27 0.00 8.23 0.13 -1.85 -3.05 132.00 140.55 1nee h PRO 55 Ca -0.51 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1nee h PRO 55 Cb 1.22 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1nee h PRO 55 CO 0.62 0.86 -0.15 1.96 -0.23 0.00 0.00 178.00 181.06 1nee h GLN 56 N -0.26 0.00 0.46 0.86 4.20 -1.95 -2.99 115.11 115.42 1nee h GLN 56 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1nee h GLN 56 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1nee h GLN 56 CO 0.05 0.15 -0.22 1.25 -0.67 0.00 0.00 178.83 179.40 1nee h HIS 57 N 0.00 -0.57 -1.16 2.96 2.76 -1.90 -2.80 115.15 114.44 1nee h HIS 57 Ca -0.00 -0.01 0.37 0.00 -2.20 0.00 0.00 60.37 58.53 1nee h HIS 57 Cb 0.31 0.19 -0.13 0.00 1.55 0.00 0.00 27.41 29.33 1nee h HIS 57 CO 0.00 -0.35 0.72 1.25 -1.30 0.00 0.00 177.93 178.25 1nee h LEU 58 N -0.86 0.36 0.66 0.26 6.46 -1.49 0.33 115.31 121.03 1nee h LEU 58 Ca -0.06 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1nee h LEU 58 Cb 0.47 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1nee h LEU 58 CO 0.10 -0.14 -0.32 0.25 -0.62 0.00 0.00 178.44 177.71 1nee h LEU 59 N 0.20 -0.75 -1.40 2.25 6.46 -1.48 0.14 115.31 120.72 1nee h LEU 59 Ca 0.76 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.62 1nee h LEU 59 Cb 2.12 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 42.19 1nee h LEU 59 CO -0.47 -0.47 0.50 0.07 -0.62 0.00 0.00 178.44 177.45 1nee h LYS 60 N -0.99 0.64 -0.29 1.25 2.10 -0.70 -1.42 116.57 117.16 1nee h LYS 60 Ca -0.09 -0.04 -0.19 0.00 -2.00 0.00 0.00 60.65 58.33 1nee h LYS 60 Cb 0.71 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1nee h LYS 60 CO 0.15 0.43 -0.55 0.74 -2.00 0.00 0.00 179.45 178.22 1nee h PHE 61 N 0.66 1.09 -0.01 0.07 0.04 -1.07 0.80 116.94 118.53 1nee h PHE 61 Ca 0.36 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1nee h PHE 61 Cb 0.50 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1nee h PHE 61 CO -0.00 1.22 -0.10 1.25 -0.60 0.00 0.00 178.31 180.07 1nee h LEU 62 N 0.66 -0.30 -0.29 1.54 7.12 0.36 -2.31 115.31 122.09 1nee h LEU 62 Ca 0.01 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 1nee h LEU 62 Cb 1.16 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1nee h LEU 62 CO 0.12 -0.15 -0.36 0.25 -0.13 0.00 0.00 178.44 178.17 1nee h LEU 63 N -0.17 0.00 0.34 2.25 7.12 -1.48 -2.56 115.31 120.81 1nee h LEU 63 Ca 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1nee h LEU 63 Cb 0.23 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1nee h LEU 63 CO -0.11 0.36 -0.32 -0.09 -0.13 0.00 0.00 178.44 178.14 1nee h ARG 64 N 0.00 -0.66 0.00 1.25 1.12 -0.29 -2.89 114.38 112.91 1nee h ARG 64 Ca -0.00 0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.81 1nee h ARG 64 Cb 1.16 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.26 1nee h ARG 64 CO 0.05 -0.44 -0.59 0.93 -3.11 0.00 0.00 179.97 176.80 1nee h GLU 65 N -0.69 0.00 -5.49 0.20 4.39 -1.57 -3.42 114.58 108.00 1nee h GLU 65 Ca -0.02 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 1nee h GLU 65 Cb 0.62 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1nee h GLU 65 CO -0.05 0.42 0.48 -0.51 -1.16 0.00 0.00 179.01 178.20 1nee s LEU 66 N -6.32 2.95 0.02 1.33 1.02 -0.96 -4.17 118.68 112.55 1nee s LEU 66 Ca 0.03 -0.66 0.16 0.00 0.02 0.00 0.00 54.13 53.68 1nee s LEU 66 Cb 0.08 -2.57 0.66 0.00 0.02 0.00 0.00 46.19 44.38 1nee s LEU 66 CO 0.75 -3.41 1.49 0.61 0.02 0.00 0.00 176.35 175.81 1nee n GLY 67 N 6.58 -1.03 3.98 -3.19 0.00 -1.26 -4.76 105.19 105.51 1nee n GLY 67 Ca 0.43 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.03 2.75 0.02 2.61 -4.23 -1.26 -5.02 115.64 107.48 1nee s THR 68 Ca 0.07 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1nee s THR 68 Cb 0.10 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1nee s THR 68 CO 0.28 -0.00 0.96 0.00 -0.54 0.00 0.00 174.62 175.31 1nee n ALA 69 N -2.23 -0.09 -0.68 3.99 0.00 -1.26 -4.85 120.51 115.39 1nee n ALA 69 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nee n ALA 69 Cb 0.60 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.04 -1.53 3.44 0.00 0.00 -1.25 -5.01 105.19 99.80 1nee n GLY 70 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.52 -0.37 1.61 3.84 -1.26 -4.94 114.94 113.30 1nee s ASN 71 Ca 0.00 -0.01 -0.28 0.00 0.21 0.00 0.00 52.86 52.78 1nee s ASN 71 Cb 0.00 0.56 0.02 0.00 -0.55 0.00 0.00 41.25 41.28 1nee s ASN 71 CO 0.00 -0.91 1.06 -1.48 -2.79 0.00 0.00 177.10 172.99 1nee s LEU 72 N -2.70 3.87 0.18 3.21 -0.00 -1.26 -3.29 118.68 118.69 1nee s LEU 72 Ca 0.02 0.83 0.05 0.00 -0.00 0.00 0.00 54.13 55.03 1nee s LEU 72 Cb -0.01 -3.50 -0.04 0.00 -0.00 0.00 0.00 46.19 42.65 1nee s LEU 72 CO -0.12 -0.97 0.18 -1.61 -0.00 0.00 0.00 176.35 173.84 1nee s GLU 73 N 3.82 3.02 0.25 1.48 8.01 -0.53 -4.80 118.70 129.94 1nee s GLU 73 Ca 0.45 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.57 1nee s GLU 73 Cb -0.11 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 1nee s GLU 73 CO 0.20 0.47 0.00 0.41 0.01 0.00 0.00 175.26 176.35 1nee n GLY 74 N -0.62 -1.36 0.33 -1.39 0.00 -1.26 -2.46 105.19 98.43 1nee n GLY 74 Ca -0.08 -0.72 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.99 0.00 0.00 -0.02 0.00 -2.02 -3.42 103.07 96.61 1nee h GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 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 -3.44 2.55 -3.32 4.80 5.12 -1.24 -5.03 116.66 116.11 1nee n ARG 76 Ca -0.01 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 1nee n ARG 76 Cb 0.21 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.48 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nee n ALA 77 N -3.00 4.41 -2.98 7.54 0.00 -0.84 -4.11 120.51 121.53 1nee n ALA 77 Ca 0.00 -4.71 -0.44 0.00 0.00 0.00 0.00 53.44 48.29 1nee n ALA 77 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N -2.01 4.79 0.66 0.00 1.09 -1.03 -0.92 121.20 123.77 1nee s ILE 78 Ca 0.31 -1.45 0.05 0.00 -1.10 0.00 0.00 60.65 58.47 1nee s ILE 78 Cb -0.00 -4.70 0.11 0.00 -1.06 0.00 0.00 42.46 36.81 1nee s ILE 78 CO -0.02 -1.40 0.91 -1.48 -0.10 0.00 0.00 174.94 172.84 1nee s LEU 79 N 2.58 3.01 0.02 2.97 0.05 -0.20 -1.45 118.68 125.67 1nee s LEU 79 Ca 0.27 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 53.78 1nee s LEU 79 Cb -0.09 -1.68 -0.02 0.00 -2.05 0.00 0.00 46.19 42.35 1nee s LEU 79 CO -0.05 -1.65 -0.04 -1.58 -0.55 0.00 0.00 176.35 172.49 1nee s GLN 80 N -4.92 0.33 0.00 1.48 0.74 -1.26 -1.45 119.66 114.58 1nee s GLN 80 Ca 0.65 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.48 1nee s GLN 80 Cb -0.05 0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.08 1nee s GLN 80 CO 0.42 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1nee n GLY 81 N 1.72 -0.30 0.00 2.59 0.00 -0.97 -3.90 105.19 104.33 1nee n GLY 81 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 4.40 -0.68 1.61 4.81 -1.26 -4.65 118.16 122.40 1nee n LYS 82 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1nee n LYS 82 Cb 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 35.03 34.55 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 -0.70 0.00 -2.44 5.64 3.01 -1.26 -4.64 117.46 117.06 1nee n PHE 83 Ca 0.00 -1.02 -0.43 0.00 1.01 0.00 0.00 57.45 57.01 1nee n PHE 83 Cb 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 39.48 38.28 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 2.61 4.16 -3.32 4.37 -2.24 -1.26 -4.43 114.28 114.17 1nee n THR 84 Ca 0.28 -4.27 -0.24 0.00 -2.27 0.00 0.00 64.05 57.56 1nee n THR 84 Cb 0.62 -2.42 0.03 0.00 -2.10 0.00 0.00 70.33 66.46 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 5.08 -2.13 0.00 4.78 -0.00 -1.26 -4.56 115.22 117.13 1nee n HIS 85 Ca 0.42 0.65 0.00 0.00 0.46 0.00 0.00 57.72 59.24 1nee n HIS 85 Cb 0.39 -4.16 0.00 0.00 -0.12 0.00 0.00 29.99 26.10 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 -4.49 0.00 0.06 1.57 3.72 -1.26 -4.18 117.46 112.88 1nee n PHE 86 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1nee n PHE 86 Cb 0.58 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.39 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 0.35 0.61 4.37 -0.00 -1.92 -2.77 115.31 115.96 1nee h LEU 87 Ca 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 1nee h LEU 87 Cb 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1nee h LEU 87 CO 0.00 0.59 -0.37 0.40 -0.00 0.00 0.00 178.44 179.06 1nee h ILE 88 N 0.32 0.00 -0.53 1.22 2.04 -1.92 0.17 117.51 118.81 1nee h ILE 88 Ca 0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1nee h ILE 88 Cb 0.59 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1nee h ILE 88 CO 0.04 0.00 0.15 -1.13 0.00 0.00 0.00 178.15 177.21 1nee h ASN 89 N -0.92 0.10 0.61 1.72 -0.00 -1.72 0.64 115.58 116.01 1nee h ASN 89 Ca -0.08 0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1nee h ASN 89 Cb 0.74 0.09 0.01 0.00 -0.00 0.00 0.00 38.32 39.15 1nee h ASN 89 CO 0.09 0.08 -0.29 -0.08 -0.00 0.00 0.00 177.43 177.22 1nee h GLU 90 N 0.31 -0.79 -0.69 6.67 4.81 -1.43 -0.53 114.58 122.93 1nee h GLU 90 Ca 0.26 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.62 1nee h GLU 90 Cb 0.33 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1nee h GLU 90 CO -0.30 -0.50 0.37 0.00 -0.73 0.00 0.00 179.01 177.84 1nee h ARG 91 N -0.89 0.63 0.54 1.92 3.08 -0.47 -2.04 114.38 117.15 1nee h ARG 91 Ca -0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1nee h ARG 91 Cb 0.65 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1nee h ARG 91 CO 0.14 0.42 -0.34 0.82 -1.07 0.00 0.00 179.97 179.93 1nee h ILE 92 N 0.65 0.29 -0.63 2.04 2.04 -0.76 -1.92 117.51 119.22 1nee h ILE 92 Ca 0.33 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.37 1nee h ILE 92 Cb 0.28 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1nee h ILE 92 CO -0.23 0.00 0.55 -0.08 0.00 0.00 0.00 178.15 178.39 1nee h GLU 93 N -0.84 0.00 0.01 2.37 4.57 -0.74 0.39 114.58 120.34 1nee h GLU 93 Ca -0.06 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 1nee h GLU 93 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1nee h GLU 93 CO 0.06 0.00 -0.92 0.22 -1.18 0.00 0.00 179.01 177.18 1nee h ASP 94 N 0.00 0.28 0.00 1.04 3.58 -0.65 -1.91 116.42 118.76 1nee h ASP 94 Ca 0.30 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1nee h ASP 94 Cb 1.40 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 1nee h ASP 94 CO -0.00 1.06 -0.33 0.22 -2.88 0.00 0.00 179.24 177.30 1nee h TYR 95 N 0.11 0.00 -0.88 0.28 3.20 0.24 -2.81 116.97 117.11 1nee h TYR 95 Ca -0.05 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1nee h TYR 95 Cb 1.57 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.79 1nee h TYR 95 CO 0.03 0.12 0.57 0.28 -1.64 0.00 0.00 178.16 177.52 1nee h VAL 96 N -1.00 1.13 -1.61 1.81 2.07 -0.72 -2.74 116.25 115.19 1nee h VAL 96 Ca -0.02 -0.38 -0.67 0.00 0.82 0.00 0.00 66.70 66.46 1nee h VAL 96 Cb 0.37 -0.06 -0.35 0.00 -1.52 0.00 0.00 31.29 29.73 1nee h VAL 96 CO -0.01 0.20 0.10 0.59 0.02 0.00 0.00 177.57 178.47 1nee n ASN 97 N -4.54 6.08 -0.03 0.57 4.13 -0.72 -4.69 115.26 116.06 1nee n ASN 97 Ca 0.11 -3.78 0.15 0.00 1.68 0.00 0.00 54.58 52.75 1nee n ASN 97 Cb 0.10 -0.73 0.81 0.00 -1.54 0.00 0.00 39.78 38.41 1nee n ASN 97 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1nee n LYS 98 N -0.55 0.73 -0.03 3.52 4.81 -1.03 -3.02 118.16 122.58 1nee n LYS 98 Ca 0.47 -0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.69 1nee n LYS 98 Cb 0.51 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.94 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1nee h PHE 99 N 0.15 0.19 0.02 5.64 -0.00 -1.86 -1.78 116.94 119.31 1nee h PHE 99 Ca 0.00 -0.12 -0.25 0.00 -0.00 0.00 0.00 57.97 57.59 1nee h PHE 99 Cb 0.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 36.09 1nee h PHE 99 CO 0.00 1.01 -1.30 -0.24 -0.00 0.00 0.00 178.31 177.78 1nee h VAL 100 N -0.68 1.36 0.08 0.88 3.04 -1.95 0.16 116.25 119.14 1nee h VAL 100 Ca -0.04 -3.10 -0.11 0.00 -1.01 0.00 0.00 66.70 62.45 1nee h VAL 100 Cb 1.09 2.71 0.01 0.00 -2.01 0.00 0.00 31.29 33.09 1nee h VAL 100 CO 0.05 0.80 -0.48 -0.29 -1.01 0.00 0.00 177.57 176.63 1nee h ILE 101 N 0.01 1.61 -0.01 3.17 6.09 -1.69 -3.33 117.51 123.36 1nee h ILE 101 Ca -0.13 -2.44 0.00 0.00 -1.37 0.00 0.00 64.86 60.91 1nee h ILE 101 Cb 1.89 3.26 0.00 0.00 0.47 0.00 0.00 36.82 42.43 1nee h ILE 101 CO 0.12 0.66 -0.26 0.00 -3.07 0.00 0.00 178.15 175.60 1nee n HIS 103 N -0.37 -2.00 -3.54 0.00 8.25 -0.00 -3.82 115.22 113.75 1nee n HIS 103 Ca 0.12 0.82 -0.30 0.00 -0.26 0.00 0.00 57.72 58.11 1nee n HIS 103 Cb 0.38 -4.62 0.02 0.00 1.12 0.00 0.00 29.99 26.89 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 -3.83 -1.81 -0.42 -0.41 0.00 0.35 -4.66 120.64 109.87 1nee n GLU 104 Ca -0.20 1.25 -0.12 0.00 0.00 0.00 0.00 57.16 58.09 1nee n GLU 104 Cb 0.63 -2.59 -0.01 0.00 0.00 0.00 0.00 31.44 29.47 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nee n ASN 106 N 4.52 0.00 -3.39 0.00 4.13 -1.26 -4.65 115.26 114.60 1nee n ASN 106 Ca 0.25 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.15 1nee n ASN 106 Cb 0.08 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 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 0.00 4.69 -1.63 3.52 3.00 -1.26 -5.06 116.66 119.92 1nee n ARG 107 Ca 0.00 -4.72 -0.44 0.00 -0.01 0.00 0.00 57.85 52.68 1nee n ARG 107 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 32.46 30.05 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 -0.13 1.63 -0.09 5.56 -0.02 -1.26 -4.83 135.00 135.86 1nee n PRO 108 Ca 0.42 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.46 1nee n PRO 108 Cb 0.30 -2.03 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.17 2.63 -4.35 2.55 9.92 -1.26 -4.81 116.55 122.40 1nee n ASP 109 Ca 0.08 -2.11 -0.28 0.00 -0.53 0.00 0.00 54.79 51.95 1nee n ASP 109 Cb 0.33 -0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 40.21 1nee n ASP 109 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1nee s THR 110 N -0.48 0.82 -0.65 -3.53 2.01 -1.26 -5.09 115.64 107.45 1nee s THR 110 Ca 0.04 -2.00 -0.23 0.00 0.31 0.00 0.00 61.69 59.82 1nee s THR 110 Cb 0.04 -2.30 0.06 0.00 0.01 0.00 0.00 72.50 70.32 1nee s THR 110 CO 0.01 0.00 0.97 -0.13 -0.69 0.00 0.00 174.62 174.78 1nee s ARG 111 N -3.77 3.14 0.03 4.92 1.81 -1.26 -5.02 118.95 118.80 1nee s ARG 111 Ca 0.18 -0.74 -0.01 0.00 -1.72 0.00 0.00 55.73 53.44 1nee s ARG 111 Cb 0.02 -4.20 -0.04 0.00 -0.45 0.00 0.00 34.95 30.28 1nee s ARG 111 CO 0.11 -1.78 0.18 0.42 -0.68 0.00 0.00 175.30 173.54 1nee s ILE 112 N 4.10 5.29 -0.07 1.52 -1.09 -1.26 -4.87 121.20 124.83 1nee s ILE 112 Ca 0.24 -0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1nee s ILE 112 Cb -0.16 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1nee s ILE 112 CO 0.11 0.24 0.15 0.27 -1.23 0.00 0.00 174.94 174.49 1nee s ILE 113 N -1.39 -0.03 -0.12 2.92 -4.36 -1.26 -5.01 121.20 111.94 1nee s ILE 113 Ca 0.30 0.12 0.01 0.00 -0.26 0.00 0.00 60.65 60.82 1nee s ILE 113 Cb -0.13 -0.24 0.02 0.00 1.25 0.00 0.00 42.46 43.36 1nee s ILE 113 CO 0.22 0.05 -0.14 -0.60 0.24 0.00 0.00 174.94 174.71 1nee s ARG 114 N 0.84 2.19 0.03 0.37 3.52 -1.26 -1.71 118.95 122.94 1nee s ARG 114 Ca -0.06 -0.54 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1nee s ARG 114 Cb -0.08 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.35 1nee s ARG 114 CO -0.04 -0.13 -0.19 -2.00 -0.81 0.00 0.00 175.30 172.13 1nee s GLU 115 N 1.19 1.32 0.00 5.12 2.12 -0.17 -4.79 118.70 123.49 1nee s GLU 115 Ca -0.02 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1nee s GLU 115 Cb -0.14 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.86 1nee s GLU 115 CO -0.05 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 1nee n GLY 116 N 2.00 1.44 3.34 -1.50 0.00 -1.26 -0.92 105.19 108.28 1nee n GLY 116 Ca -0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.56 -1.60 -3.34 1.61 5.12 -1.26 -3.44 116.66 112.19 1nee n ARG 117 Ca 0.00 1.31 -0.17 0.00 -1.93 0.00 0.00 57.85 57.07 1nee n ARG 117 Cb 0.00 -4.14 0.07 0.00 -1.16 0.00 0.00 32.46 27.24 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1nee n ILE 118 N -1.71 -7.95 0.00 0.55 5.41 -1.26 -4.92 119.36 109.49 1nee n ILE 118 Ca -0.11 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.58 1nee n ILE 118 Cb 0.58 -5.88 0.00 0.00 -0.71 0.00 0.00 39.64 33.63 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 -3.16 0.00 -4.26 4.38 2.88 -1.22 -4.82 113.62 107.42 1nee n SER 119 Ca -0.14 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.20 1nee n SER 119 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.88 2.38 -0.07 2.46 1.02 -0.10 -4.97 118.68 116.52 1nee s LEU 120 Ca 0.00 -0.78 -0.31 0.00 0.02 0.00 0.00 54.13 53.05 1nee s LEU 120 Cb 0.00 -0.64 0.12 0.00 0.02 0.00 0.00 46.19 45.69 1nee s LEU 120 CO 0.00 -0.09 1.08 -1.48 0.02 0.00 0.00 176.35 175.88 1nee s LEU 121 N -2.35 -0.21 0.02 1.79 2.34 -0.26 -1.00 118.68 119.01 1nee s LEU 121 Ca 0.09 -0.05 0.06 0.00 0.06 0.00 0.00 54.13 54.28 1nee s LEU 121 Cb -0.06 1.68 -0.03 0.00 -0.56 0.00 0.00 46.19 47.22 1nee s LEU 121 CO 0.04 -0.44 -0.15 -0.75 -1.06 0.00 0.00 176.35 173.99 1nee s LYS 122 N -2.75 2.23 -0.32 1.48 2.20 -0.69 -0.97 119.74 120.92 1nee s LYS 122 Ca 0.09 -0.89 0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1nee s LYS 122 Cb -0.00 -2.28 0.46 0.00 -1.51 0.00 0.00 37.83 34.49 1nee s LYS 122 CO -0.05 0.56 0.95 0.00 -0.36 0.00 0.00 175.35 176.44 1nee h GLU 124 N 2.99 0.00 0.00 0.00 4.81 -1.89 -1.60 114.58 118.90 1nee h GLU 124 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1nee h GLU 124 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1nee h GLU 124 CO 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1nee n ALA 125 N -2.35 -0.16 -0.70 2.92 0.00 -1.26 -3.80 120.51 115.17 1nee n ALA 125 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 1nee n ALA 125 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 1.78 0.30 3.31 0.00 0.00 -0.80 -4.93 105.19 104.85 1nee n GLY 127 Ca 0.16 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.01 0.04 4.61 0.00 -0.67 -3.62 121.76 119.11 1nee s ALA 128 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 1nee s ALA 128 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1nee s ALA 128 CO 0.00 -0.31 0.42 0.21 0.00 0.00 0.00 175.76 176.08 1nee s LYS 129 N -1.46 0.91 -0.69 0.00 2.47 -1.26 -4.54 119.74 115.18 1nee s LYS 129 Ca -0.12 -0.32 -0.19 0.00 -1.56 0.00 0.00 55.97 53.78 1nee s LYS 129 Cb -0.03 0.41 0.12 0.00 -1.46 0.00 0.00 37.83 36.86 1nee s LYS 129 CO 0.05 -0.31 0.82 0.00 0.16 0.00 0.00 175.35 176.06 1nee s ALA 130 N -2.34 3.46 0.32 3.13 0.00 -0.14 -4.17 121.76 122.02 1nee s ALA 130 Ca -0.06 -2.42 0.10 0.00 0.00 0.00 0.00 51.96 49.57 1nee s ALA 130 Cb -0.01 -3.66 0.54 0.00 0.00 0.00 0.00 23.12 19.99 1nee s ALA 130 CO -0.01 -2.50 1.73 -1.00 0.00 0.00 0.00 175.76 173.98 1nee h PRO 131 N 8.99 0.09 0.00 0.00 0.13 -1.43 -0.67 132.00 139.10 1nee h PRO 131 Ca -0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1nee h PRO 131 Cb 1.07 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nee h PRO 131 CO 1.07 0.52 0.00 1.47 -0.23 0.00 0.00 178.00 180.82 1nee n LEU 132 N -4.00 -0.30 0.00 1.56 -0.00 -1.26 -3.94 117.00 109.05 1nee n LEU 132 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1nee n LEU 132 Cb 0.48 0.59 0.00 0.00 -0.00 0.00 0.00 43.42 44.49 1nee n LEU 132 CO 0.41 -0.27 0.00 0.29 -0.00 0.00 0.00 177.39 177.81 1nee n LYS 133 N -2.43 0.00 -3.49 1.47 5.02 -1.26 -5.00 118.16 112.47 1nee n LYS 133 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1nee n LYS 133 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 1nee n LYS 133 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nee n ASN 134 N 0.00 -2.85 0.00 4.39 4.13 -1.26 -5.23 115.26 114.43 1nee n ASN 134 Ca 0.00 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1nee n ASN 134 Cb 0.00 -4.74 0.00 0.00 -1.54 0.00 0.00 39.78 33.50 1nee n ASN 134 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06