#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 6.65 -0.21 7.83 1.01 -1.26 -4.75 116.67 125.93 1nee s ASP 2 Ca 0.00 -1.95 -0.16 0.00 0.71 0.00 0.00 52.55 51.14 1nee s ASP 2 Cb 0.00 -2.48 -0.12 0.00 1.01 0.00 0.00 42.92 41.33 1nee s ASP 2 CO 0.00 -1.21 -0.11 0.47 0.21 0.00 0.00 175.17 174.52 1nee n ASP 3 N 7.55 1.89 -3.83 0.27 8.00 -1.26 -4.83 116.55 124.34 1nee n ASP 3 Ca 0.31 0.43 -0.30 0.00 0.71 0.00 0.00 54.79 55.94 1nee n ASP 3 Cb 0.49 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 -2.46 2.53 0.00 1.24 2.02 -1.26 -5.00 117.35 114.42 1nee s TYR 4 Ca -0.29 -2.60 0.00 0.00 -0.37 0.00 0.00 57.07 53.81 1nee s TYR 4 Cb 0.07 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 1nee s TYR 4 CO 0.46 -0.81 0.00 0.39 -1.57 0.00 0.00 175.55 174.02 1nee n GLU 5 N 3.76 0.00 -3.28 -0.62 -0.58 -1.26 -5.08 120.64 113.58 1nee n GLU 5 Ca 0.05 0.01 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1nee n GLU 5 Cb 0.36 -0.27 -0.04 0.00 -0.57 0.00 0.00 31.44 30.92 1nee n GLU 5 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1nee s LYS 6 N -0.03 0.06 0.17 3.49 2.20 -1.26 -5.14 119.74 119.23 1nee s LYS 6 Ca 0.00 0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.44 1nee s LYS 6 Cb 0.00 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.30 1nee s LYS 6 CO 0.00 -0.02 1.45 -0.48 -0.36 0.00 0.00 175.35 175.95 1nee s LEU 7 N 1.89 4.38 -0.22 5.43 0.05 -1.26 -4.88 118.68 124.07 1nee s LEU 7 Ca -0.01 2.52 0.00 0.00 0.05 0.00 0.00 54.13 56.69 1nee s LEU 7 Cb -0.01 -3.60 0.23 0.00 -2.05 0.00 0.00 46.19 40.75 1nee s LEU 7 CO -0.15 -0.71 1.67 -0.11 -0.55 0.00 0.00 176.35 176.50 1nee n LEU 8 N 3.43 5.33 -3.42 1.48 7.94 -1.26 -4.56 117.00 125.95 1nee n LEU 8 Ca 0.11 -2.73 -0.22 0.00 -1.11 0.00 0.00 56.01 52.06 1nee n LEU 8 Cb 0.41 -0.84 -0.10 0.00 0.53 0.00 0.00 43.42 43.42 1nee n LEU 8 CO 0.60 0.94 -0.23 -1.61 -1.11 0.00 0.00 177.39 175.98 1nee s GLU 9 N -1.43 0.52 0.52 1.96 8.01 -1.26 -5.14 118.70 121.88 1nee s GLU 9 Ca 0.24 -0.89 0.07 0.00 0.01 0.00 0.00 54.97 54.41 1nee s GLU 9 Cb 0.20 -0.95 0.03 0.00 -4.31 0.00 0.00 34.13 29.10 1nee s GLU 9 CO 0.02 -1.16 0.48 -0.98 0.01 0.00 0.00 175.26 173.64 1nee s ARG 10 N 1.50 2.34 -1.58 1.61 3.03 -1.26 -4.63 118.95 119.96 1nee s ARG 10 Ca 0.15 -1.81 -0.13 0.00 2.03 0.00 0.00 55.73 55.97 1nee s ARG 10 Cb -0.18 -2.29 0.10 0.00 -1.03 0.00 0.00 34.95 31.55 1nee s ARG 10 CO -0.09 -0.57 0.83 0.00 -1.13 0.00 0.00 175.30 174.34 1nee n ALA 11 N -1.82 -1.40 0.20 7.88 0.00 -1.26 -4.84 120.51 119.28 1nee n ALA 11 Ca 0.04 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1nee n ALA 11 Cb 0.63 -3.61 0.26 0.00 0.00 0.00 0.00 19.45 16.72 1nee n ALA 11 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nee h ILE 12 N -1.82 0.41 0.00 0.00 5.03 -1.82 -3.41 117.51 115.90 1nee h ILE 12 Ca -0.59 -1.36 0.00 0.00 -0.12 0.00 0.00 64.86 62.79 1nee h ILE 12 Cb 1.38 2.02 0.00 0.00 -3.03 0.00 0.00 36.82 37.19 1nee h ILE 12 CO 0.70 0.21 0.00 -0.67 -0.68 0.00 0.00 178.15 177.72 1nee n ASP 13 N -3.21 0.00 -0.03 1.72 -0.08 -1.26 -4.86 116.55 108.83 1nee n ASP 13 Ca 0.02 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.13 1nee n ASP 13 Cb 0.54 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.87 1nee n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nee n GLN 14 N 0.00 0.71 -3.68 -0.67 1.13 -1.26 -4.92 117.38 108.69 1nee n GLN 14 Ca 0.00 0.24 -0.34 0.00 -1.94 0.00 0.00 57.00 54.95 1nee n GLN 14 Cb 0.00 -1.69 -0.05 0.00 0.11 0.00 0.00 30.24 28.61 1nee n GLN 14 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nee s LEU 15 N -6.63 4.35 0.10 1.08 1.43 -1.26 -5.01 118.68 112.74 1nee s LEU 15 Ca -0.19 0.65 -0.36 0.00 -1.03 0.00 0.00 54.13 53.21 1nee s LEU 15 Cb 0.07 -2.86 -0.16 0.00 0.03 0.00 0.00 46.19 43.27 1nee s LEU 15 CO 0.76 0.20 1.44 -0.81 0.23 0.00 0.00 176.35 178.17 1nee n PRO 16 N 0.92 1.51 0.00 1.29 -0.04 -1.26 -4.26 135.00 133.17 1nee n PRO 16 Ca -0.09 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1nee n PRO 16 Cb 0.52 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N 2.96 0.00 -0.13 0.54 -0.04 -1.26 -4.66 135.00 132.41 1nee n PRO 17 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1nee n PRO 17 Cb 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.00 0.00 -2.95 0.54 4.71 -1.26 -4.95 120.64 116.72 1nee n GLU 18 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1nee n GLU 18 Cb 0.00 -3.03 -0.06 0.00 -1.01 0.00 0.00 31.44 27.34 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1nee s VAL 19 N -1.96 4.46 -0.00 2.62 1.01 -1.26 -4.95 120.40 120.33 1nee s VAL 19 Ca 0.00 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 1nee s VAL 19 Cb 0.00 -3.75 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 1nee s VAL 19 CO 0.00 -0.07 2.95 2.22 0.00 0.00 0.00 175.10 180.19 1nee n PHE 20 N -0.02 0.00 -3.61 5.22 1.16 -1.26 -4.72 117.46 114.23 1nee n PHE 20 Ca 0.03 -1.29 -0.18 0.00 -1.87 0.00 0.00 57.45 54.14 1nee n PHE 20 Cb 0.52 -1.14 -0.15 0.00 -1.61 0.00 0.00 39.48 37.10 1nee n PHE 20 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1nee s GLU 21 N 0.58 0.09 0.22 3.97 2.56 -1.26 -5.14 118.70 119.72 1nee s GLU 21 Ca 0.39 0.39 -0.30 0.00 0.00 0.00 0.00 54.97 55.45 1nee s GLU 21 Cb 0.19 -0.72 -0.09 0.00 2.00 0.00 0.00 34.13 35.51 1nee s GLU 21 CO -0.00 -0.45 1.19 -0.08 -0.56 0.00 0.00 175.26 175.36 1nee s THR 22 N 2.29 3.46 0.52 -1.70 -1.32 -1.26 -5.04 115.64 112.59 1nee s THR 22 Ca 0.04 1.30 -0.06 0.00 -1.21 0.00 0.00 61.69 61.76 1nee s THR 22 Cb -0.14 -3.83 0.11 0.00 -1.51 0.00 0.00 72.50 67.14 1nee s THR 22 CO -0.08 0.24 0.70 0.29 -2.21 0.00 0.00 174.62 173.57 1nee n LYS 23 N 2.04 -0.36 -2.62 7.08 4.01 -1.26 -4.97 118.16 122.08 1nee n LYS 23 Ca 0.03 -1.39 -0.43 0.00 -0.51 0.00 0.00 58.31 56.00 1nee n LYS 23 Cb 0.44 -0.63 0.00 0.00 -0.51 0.00 0.00 35.03 34.33 1nee n LYS 23 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1nee n ARG 24 N -2.42 3.34 -3.03 1.97 1.74 -1.26 -4.96 116.66 112.03 1nee n ARG 24 Ca 0.10 -3.53 -0.42 0.00 -0.77 0.00 0.00 57.85 53.23 1nee n ARG 24 Cb 0.35 -3.14 -0.06 0.00 -1.02 0.00 0.00 32.46 28.58 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 2.07 3.18 -0.08 -1.55 2.19 -1.26 -5.03 117.98 117.50 1nee s PHE 25 Ca 0.45 0.62 -0.03 0.00 0.33 0.00 0.00 56.93 58.30 1nee s PHE 25 Cb 0.03 -3.16 0.04 0.00 -1.31 0.00 0.00 43.02 38.62 1nee s PHE 25 CO 0.01 -0.57 0.06 -1.83 1.83 0.00 0.00 175.22 174.72 1nee s GLU 26 N 2.82 0.03 0.19 10.12 4.04 -1.26 -4.99 118.70 129.65 1nee s GLU 26 Ca 0.28 0.20 0.00 0.00 0.04 0.00 0.00 54.97 55.50 1nee s GLU 26 Cb -0.14 -0.97 0.00 0.00 0.02 0.00 0.00 34.13 33.03 1nee s GLU 26 CO 0.13 -0.44 0.00 0.28 -1.84 0.00 0.00 175.26 173.40 1nee n VAL 27 N 5.28 0.00 -1.68 1.83 0.31 -1.26 -5.10 118.33 117.71 1nee n VAL 27 Ca -0.05 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.80 1nee n VAL 27 Cb 0.50 -0.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.14 1nee n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1nee n PRO 28 N -2.96 2.16 0.00 5.55 -0.02 -1.26 -4.91 135.00 133.56 1nee n PRO 28 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1nee n PRO 28 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 1nee n PRO 28 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1nee n LYS 29 N 6.58 0.00 -3.47 -0.52 -0.00 -1.26 -5.16 118.16 114.32 1nee n LYS 29 Ca 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1nee n LYS 29 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.28 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nee s ALA 30 N 0.00 -2.00 -0.05 0.58 0.00 -1.26 -5.11 121.76 113.92 1nee s ALA 30 Ca 0.00 2.05 -0.31 0.00 0.00 0.00 0.00 51.96 53.70 1nee s ALA 30 Cb 0.00 -1.86 0.12 0.00 0.00 0.00 0.00 23.12 21.38 1nee s ALA 30 CO 0.00 -1.06 1.35 1.52 0.00 0.00 0.00 175.76 177.57 1nee s TYR 31 N 2.85 -0.01 0.98 0.00 1.13 -1.26 -4.82 117.35 116.22 1nee s TYR 31 Ca 0.04 -0.05 -0.16 0.00 -1.41 0.00 0.00 57.07 55.48 1nee s TYR 31 Cb -0.13 0.53 0.25 0.00 -1.10 0.00 0.00 41.96 41.50 1nee s TYR 31 CO -0.19 -0.15 0.80 0.43 -2.51 0.00 0.00 175.55 173.92 1nee n SER 32 N -0.70 -2.25 -3.88 -0.18 7.64 -1.26 -4.72 113.62 108.28 1nee n SER 32 Ca -0.04 -0.93 -0.28 0.00 1.01 0.00 0.00 58.87 58.62 1nee n SER 32 Cb 0.62 -0.76 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.36 1.09 0.33 0.44 1.01 -1.22 -4.92 120.40 114.77 1nee s VAL 33 Ca 0.53 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1nee s VAL 33 Cb -0.06 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.87 1nee s VAL 33 CO 0.42 0.04 1.56 0.27 0.00 0.00 0.00 175.10 177.38 1nee s ILE 34 N 1.63 2.03 -0.36 2.22 -0.00 -1.26 -2.07 121.20 123.38 1nee s ILE 34 Ca -0.01 0.03 0.05 0.00 -0.00 0.00 0.00 60.65 60.72 1nee s ILE 34 Cb -0.16 -3.02 0.17 0.00 -0.00 0.00 0.00 42.46 39.45 1nee s ILE 34 CO -0.07 0.01 0.50 -1.58 -0.00 0.00 0.00 174.94 173.79 1nee s GLN 35 N -1.19 0.64 0.34 0.37 0.74 -0.98 -4.94 119.66 114.65 1nee s GLN 35 Ca 0.59 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.75 1nee s GLN 35 Cb -0.48 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.41 1nee s GLN 35 CO 0.55 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 1nee n GLY 36 N 4.71 0.72 0.77 2.59 0.00 -1.26 -1.05 105.19 111.67 1nee n GLY 36 Ca 0.08 0.63 -0.00 0.00 0.00 0.00 0.00 46.02 46.73 1nee n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nee n ASN 37 N 2.12 0.01 -4.15 1.61 4.13 -1.26 -5.11 115.26 112.62 1nee n ASN 37 Ca 0.00 -1.69 -0.17 0.00 1.68 0.00 0.00 54.58 54.40 1nee n ASN 37 Cb 0.00 -0.07 -0.12 0.00 -1.54 0.00 0.00 39.78 38.05 1nee n ASN 37 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1nee s ARG 38 N 0.00 0.75 -0.29 3.52 3.00 -0.22 -3.37 118.95 122.35 1nee s ARG 38 Ca 0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 55.73 54.77 1nee s ARG 38 Cb 0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 34.95 34.30 1nee s ARG 38 CO -0.03 0.15 0.17 -0.08 0.00 0.00 0.00 175.30 175.50 1nee s THR 39 N -1.37 5.03 -1.22 0.02 -1.32 -0.51 -2.31 115.64 113.97 1nee s THR 39 Ca -0.03 -0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.29 1nee s THR 39 Cb -0.10 -3.43 0.17 0.00 -1.51 0.00 0.00 72.50 67.63 1nee s THR 39 CO 0.02 0.21 1.49 0.33 -2.21 0.00 0.00 174.62 174.46 1nee n PHE 40 N 5.03 4.80 -1.64 9.09 -0.00 -0.88 -0.85 117.46 133.01 1nee n PHE 40 Ca -0.14 -3.29 -0.45 0.00 -0.00 0.00 0.00 57.45 53.57 1nee n PHE 40 Cb 0.51 -2.20 -0.04 0.00 -0.00 0.00 0.00 39.48 37.76 1nee n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1nee n ILE 41 N 4.60 0.58 -0.04 -2.13 -0.00 -0.05 -3.44 119.36 118.86 1nee n ILE 41 Ca 0.38 -0.22 -0.06 0.00 -0.00 0.00 0.00 62.75 62.85 1nee n ILE 41 Cb 0.42 -2.21 -0.05 0.00 -0.00 0.00 0.00 39.64 37.80 1nee n ILE 41 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1nee n GLN 42 N 7.65 0.81 -2.46 0.38 7.27 -1.26 -1.21 117.38 128.55 1nee n GLN 42 Ca 0.25 0.04 -0.33 0.00 0.07 0.00 0.00 57.00 57.03 1nee n GLN 42 Cb 0.37 -1.19 0.01 0.00 2.41 0.00 0.00 30.24 31.84 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1nee n ASN 43 N -2.66 5.92 0.10 1.69 4.13 -1.26 -4.83 115.26 118.35 1nee n ASN 43 Ca -0.16 -3.74 0.18 0.00 1.68 0.00 0.00 54.58 52.54 1nee n ASN 43 Cb 0.69 -0.78 0.53 0.00 -1.54 0.00 0.00 39.78 38.68 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1nee h PHE 44 N 3.09 0.00 0.00 3.10 3.57 -1.96 1.34 116.94 126.07 1nee h PHE 44 Ca 0.38 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1nee h PHE 44 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1nee h PHE 44 CO 1.02 0.00 -0.44 -0.09 -2.23 0.00 0.00 178.31 176.57 1nee h ARG 45 N 0.00 0.00 -0.36 1.11 9.65 -1.97 -2.12 114.38 120.69 1nee h ARG 45 Ca 0.21 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.96 1nee h ARG 45 Cb 1.71 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.28 1nee h ARG 45 CO -0.00 0.45 -0.29 1.49 2.80 0.00 0.00 179.97 184.41 1nee h GLU 46 N -1.00 0.77 -0.19 0.20 4.57 -1.61 -2.25 114.58 115.07 1nee h GLU 46 Ca -0.08 -0.35 -0.13 0.00 -1.18 0.00 0.00 59.36 57.62 1nee h GLU 46 Cb 0.66 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1nee h GLU 46 CO -0.05 0.97 -0.38 0.28 -1.18 0.00 0.00 179.01 178.64 1nee h VAL 47 N 0.66 1.33 0.00 0.32 2.07 0.15 -2.72 116.25 118.06 1nee h VAL 47 Ca 0.08 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1nee h VAL 47 Cb 0.82 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1nee h VAL 47 CO 0.07 0.50 -0.15 0.00 0.02 0.00 0.00 177.57 178.01 1nee h ALA 48 N 0.59 1.51 0.04 1.67 0.00 -1.30 -0.87 119.26 120.90 1nee h ALA 48 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nee h ALA 48 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nee h ALA 48 CO 0.09 0.19 -0.02 0.22 0.00 0.00 0.00 179.25 179.73 1nee h ASP 49 N 0.00 -0.04 -0.88 0.00 1.82 -1.36 -2.36 116.42 113.60 1nee h ASP 49 Ca -0.00 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.81 1nee h ASP 49 Cb 0.32 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 1nee h ASP 49 CO 0.02 0.16 0.58 0.00 -1.61 0.00 0.00 179.24 178.38 1nee h ALA 50 N -1.60 2.03 -0.08 -0.78 0.00 -1.53 -1.42 119.26 115.88 1nee h ALA 50 Ca -0.01 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1nee h ALA 50 Cb 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nee h ALA 50 CO 0.01 -0.29 -0.77 1.25 0.00 0.00 0.00 179.25 179.45 1nee h LEU 51 N 0.53 0.82 -6.00 0.00 5.85 -1.30 -3.17 115.31 112.04 1nee h LEU 51 Ca 0.45 -0.68 0.20 0.00 0.84 0.00 0.00 57.88 58.69 1nee h LEU 51 Cb 0.95 -0.24 -0.20 0.00 0.37 0.00 0.00 40.66 41.54 1nee h LEU 51 CO -0.19 1.37 -0.01 0.21 -0.34 0.00 0.00 178.44 179.48 1nee s ASN 52 N -7.02 -0.64 0.02 1.25 3.84 -0.59 -4.58 114.94 107.22 1nee s ASN 52 Ca -0.11 0.22 -0.03 0.00 0.21 0.00 0.00 52.86 53.15 1nee s ASN 52 Cb 0.07 1.47 -0.01 0.00 -0.55 0.00 0.00 41.25 42.23 1nee s ASN 52 CO 0.88 -0.12 0.90 -1.14 -2.79 0.00 0.00 177.10 174.83 1nee n ARG 53 N 5.32 -0.05 -1.70 0.43 3.00 -0.87 -4.31 116.66 118.49 1nee n ARG 53 Ca 0.01 0.89 -0.44 0.00 -0.00 0.00 0.00 57.85 58.32 1nee n ARG 53 Cb 0.55 -1.33 -0.03 0.00 0.00 0.00 0.00 32.46 31.64 1nee n ARG 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nee n ASP 54 N -3.13 3.70 0.15 6.15 9.92 -1.26 -4.72 116.55 127.36 1nee n ASP 54 Ca 0.00 1.06 -0.00 0.00 -0.53 0.00 0.00 54.79 55.32 1nee n ASP 54 Cb 0.03 -1.52 0.20 0.00 -0.64 0.00 0.00 41.12 39.19 1nee n ASP 54 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nee h PRO 55 N 6.76 0.00 -0.22 -0.24 0.13 -1.90 -3.05 132.00 133.48 1nee h PRO 55 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1nee h PRO 55 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1nee h PRO 55 CO 0.93 0.58 0.04 1.96 -0.23 0.00 0.00 178.00 181.28 1nee h GLN 56 N 0.00 0.32 0.33 0.86 4.20 -1.92 -2.38 115.11 116.52 1nee h GLN 56 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1nee h GLN 56 Cb 1.03 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1nee h GLN 56 CO 0.07 0.31 -0.16 1.25 -0.67 0.00 0.00 178.83 179.64 1nee h HIS 57 N 0.32 -0.41 -0.94 2.96 2.76 -1.89 -2.70 115.15 115.24 1nee h HIS 57 Ca 0.08 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.53 1nee h HIS 57 Cb 0.16 0.14 -0.16 0.00 1.55 0.00 0.00 27.41 29.09 1nee h HIS 57 CO 0.00 -0.26 0.30 1.25 -1.30 0.00 0.00 177.93 177.92 1nee h LEU 58 N -1.01 0.03 0.37 0.26 5.85 -1.54 0.11 115.31 119.37 1nee h LEU 58 Ca -0.05 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1nee h LEU 58 Cb 0.34 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1nee h LEU 58 CO 0.08 -0.24 -0.18 0.25 -0.34 0.00 0.00 178.44 178.01 1nee h LEU 59 N 0.15 -0.42 -2.38 2.25 5.85 -1.50 0.10 115.31 119.37 1nee h LEU 59 Ca 0.64 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1nee h LEU 59 Cb 1.42 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1nee h LEU 59 CO -0.73 -0.16 0.15 0.11 -0.34 0.00 0.00 178.44 177.48 1nee h LYS 60 N -0.67 0.00 0.14 1.25 1.79 -0.64 -1.72 116.57 116.71 1nee h LYS 60 Ca -0.05 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.23 1nee h LYS 60 Cb 0.48 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1nee h LYS 60 CO 0.08 0.00 -0.83 0.74 -1.08 0.00 0.00 179.45 178.36 1nee h PHE 61 N 0.00 0.54 -0.77 -1.35 -1.00 -0.35 -1.63 116.94 112.38 1nee h PHE 61 Ca 0.05 -0.39 0.02 0.00 2.81 0.00 0.00 57.97 60.45 1nee h PHE 61 Cb 0.35 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.85 1nee h PHE 61 CO 0.00 1.32 0.50 1.37 -1.61 0.00 0.00 178.31 179.89 1nee h LEU 62 N -0.38 0.85 -0.04 1.54 8.10 -0.09 -1.49 115.31 123.79 1nee h LEU 62 Ca -0.15 -0.01 -0.25 0.00 0.11 0.00 0.00 57.88 57.58 1nee h LEU 62 Cb 1.64 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.67 1nee h LEU 62 CO 0.15 0.60 -1.08 0.17 -4.11 0.00 0.00 178.44 174.17 1nee h LEU 63 N 1.00 0.50 -1.91 0.17 8.10 -1.57 0.17 115.31 121.78 1nee h LEU 63 Ca 0.29 -0.46 -0.02 0.00 0.11 0.00 0.00 57.88 57.80 1nee h LEU 63 Cb -0.06 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.00 1nee h LEU 63 CO -0.08 1.29 -0.11 0.03 -4.11 0.00 0.00 178.44 175.47 1nee h ARG 64 N 0.17 0.00 -0.01 0.17 2.47 -0.98 -2.13 114.38 114.07 1nee h ARG 64 Ca -0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1nee h ARG 64 Cb 1.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1nee h ARG 64 CO 0.18 0.11 -0.23 0.39 0.56 0.00 0.00 179.97 180.98 1nee n GLU 65 N -4.13 1.67 -2.74 0.04 1.02 -0.59 -4.89 120.64 111.01 1nee n GLU 65 Ca -0.03 -0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 55.83 1nee n GLU 65 Cb 0.19 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nee s LEU 66 N -1.74 3.90 0.00 -4.62 1.02 0.04 -3.26 118.68 114.02 1nee s LEU 66 Ca 0.12 -0.58 0.28 0.00 0.02 0.00 0.00 54.13 53.97 1nee s LEU 66 Cb 0.11 -2.63 1.60 0.00 0.02 0.00 0.00 46.19 45.29 1nee s LEU 66 CO 0.31 -1.50 2.04 0.61 0.02 0.00 0.00 176.35 177.83 1nee n GLY 67 N 5.26 -0.90 3.56 -3.19 0.00 -1.26 -4.83 105.19 103.84 1nee n GLY 67 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.99 1.84 0.03 2.61 -4.23 -1.25 -5.00 115.64 107.64 1nee s THR 68 Ca 0.41 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1nee s THR 68 Cb 0.19 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 1nee s THR 68 CO 0.32 -0.05 0.61 0.00 -0.54 0.00 0.00 174.62 174.97 1nee n ALA 69 N -0.86 -0.13 -0.49 3.99 0.00 -1.26 -4.77 120.51 116.99 1nee n ALA 69 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1nee n ALA 69 Cb 0.66 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.05 -0.80 3.67 0.00 0.00 -1.24 -5.01 105.19 100.76 1nee n GLY 70 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N 0.00 -0.32 -0.20 1.61 0.02 -1.26 -4.92 114.94 109.87 1nee s ASN 71 Ca 0.00 -0.30 -0.21 0.00 -1.02 0.00 0.00 52.86 51.32 1nee s ASN 71 Cb 0.00 0.56 -0.02 0.00 0.02 0.00 0.00 41.25 41.81 1nee s ASN 71 CO 0.00 -0.99 0.66 -0.76 0.02 0.00 0.00 177.10 176.02 1nee s LEU 72 N -2.81 4.14 0.20 0.60 2.01 -1.26 -2.50 118.68 119.05 1nee s LEU 72 Ca 0.08 0.86 0.05 0.00 0.01 0.00 0.00 54.13 55.13 1nee s LEU 72 Cb -0.03 -2.93 -0.04 0.00 0.01 0.00 0.00 46.19 43.21 1nee s LEU 72 CO -0.02 -0.30 0.20 -0.70 1.01 0.00 0.00 176.35 176.54 1nee s GLU 73 N 2.03 3.03 0.00 1.70 2.12 -0.57 -4.71 118.70 122.30 1nee s GLU 73 Ca 0.30 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1nee s GLU 73 Cb -0.16 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1nee s GLU 73 CO 0.10 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1nee n GLY 74 N -0.76 0.00 0.97 -1.50 0.00 -1.26 -2.72 105.19 99.92 1nee n GLY 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1nee n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nee n GLY 75 N 0.00 1.09 0.00 -0.02 0.00 -1.26 -4.54 105.19 100.46 1nee n GLY 75 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1nee n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 76 N 1.67 0.00 -2.80 1.61 5.12 -1.26 -4.99 116.66 116.01 1nee n ARG 76 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1nee n ARG 76 Cb 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 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 -1.23 -1.55 -2.67 7.54 0.00 -0.35 -4.79 120.51 117.46 1nee n ALA 77 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 51.84 1nee n ALA 77 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 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 0.80 4.09 0.71 0.00 1.01 -1.10 -0.87 121.20 125.84 1nee s ILE 78 Ca 0.30 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1nee s ILE 78 Cb 0.01 -4.92 0.11 0.00 0.01 0.00 0.00 42.46 37.68 1nee s ILE 78 CO -0.07 -1.77 0.98 -1.48 0.00 0.00 0.00 174.94 172.61 1nee s LEU 79 N 4.57 2.99 -0.03 2.97 0.05 -0.03 -1.52 118.68 127.69 1nee s LEU 79 Ca 0.37 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.31 1nee s LEU 79 Cb -0.05 -2.18 0.03 0.00 -2.05 0.00 0.00 46.19 41.94 1nee s LEU 79 CO -0.01 -1.79 0.01 -1.58 -0.55 0.00 0.00 176.35 172.42 1nee s GLN 80 N -5.13 0.22 0.00 1.48 -0.44 -1.26 -1.42 119.66 113.11 1nee s GLN 80 Ca 0.65 0.10 0.00 0.00 -2.50 0.00 0.00 55.36 53.61 1nee s GLN 80 Cb -0.06 -0.43 0.00 0.00 -1.64 0.00 0.00 33.01 30.88 1nee s GLN 80 CO 0.44 -0.14 0.00 0.41 0.50 0.00 0.00 175.29 176.50 1nee n GLY 81 N 4.16 -2.06 2.67 2.59 0.00 -1.22 -3.58 105.19 107.75 1nee n GLY 81 Ca -0.27 0.68 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 0.19 -2.40 1.61 0.00 -1.20 -4.01 118.16 112.35 1nee n LYS 82 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 58.31 57.35 1nee n LYS 82 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 35.03 34.80 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1nee n PHE 83 N 0.93 2.44 -2.25 5.64 3.72 -1.26 -4.83 117.46 121.84 1nee n PHE 83 Ca -0.02 -2.55 -0.41 0.00 -0.05 0.00 0.00 57.45 54.42 1nee n PHE 83 Cb 0.73 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1nee n PHE 83 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1nee n THR 84 N -0.53 3.51 -3.81 4.37 -1.04 -1.26 -4.37 114.28 111.15 1nee n THR 84 Ca 0.31 -3.49 -0.28 0.00 -2.04 0.00 0.00 64.05 58.54 1nee n THR 84 Cb 0.83 -2.39 -0.05 0.00 -1.82 0.00 0.00 70.33 66.90 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nee n HIS 85 N 8.41 -1.50 0.00 -1.42 1.44 -1.26 -4.83 115.22 116.06 1nee n HIS 85 Ca 0.49 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.68 1nee n HIS 85 Cb 0.44 -1.79 0.00 0.00 0.12 0.00 0.00 29.99 28.76 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -3.61 0.00 -0.03 -1.40 3.72 -1.26 -4.27 117.46 110.61 1nee n PHE 86 Ca 0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.32 1nee n PHE 86 Cb 0.48 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 1nee n PHE 86 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nee h LEU 87 N 0.00 0.25 0.49 4.37 6.46 -1.88 -2.57 115.31 122.43 1nee h LEU 87 Ca 0.00 -0.66 -0.02 0.00 -0.12 0.00 0.00 57.88 57.08 1nee h LEU 87 Cb 0.00 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1nee h LEU 87 CO 0.00 0.87 -0.39 0.40 -0.62 0.00 0.00 178.44 178.70 1nee h ILE 88 N -0.36 0.00 -0.85 4.05 2.04 -1.90 -0.24 117.51 120.26 1nee h ILE 88 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1nee h ILE 88 Cb 0.86 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 1nee h ILE 88 CO 0.04 0.00 0.43 -1.13 0.00 0.00 0.00 178.15 177.49 1nee h ASN 89 N -0.85 0.51 0.48 1.72 -1.24 -1.74 0.41 115.58 114.86 1nee h ASN 89 Ca -0.06 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1nee h ASN 89 Cb 0.71 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1nee h ASN 89 CO 0.01 0.20 -0.23 -0.08 -1.29 0.00 0.00 177.43 176.04 1nee h GLU 90 N 0.60 -0.63 -0.23 6.67 4.81 -1.22 -0.26 114.58 124.32 1nee h GLU 90 Ca 0.47 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 1nee h GLU 90 Cb 0.68 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1nee h GLU 90 CO -0.38 -0.35 0.11 0.00 -0.73 0.00 0.00 179.01 177.66 1nee h ARG 91 N -0.79 0.22 0.46 1.92 2.47 -0.66 -1.86 114.38 116.14 1nee h ARG 91 Ca -0.07 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1nee h ARG 91 Cb 0.56 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1nee h ARG 91 CO 0.11 0.15 -0.36 0.82 0.56 0.00 0.00 179.97 181.24 1nee h ILE 92 N 0.23 0.26 -0.64 2.04 2.04 -0.89 -1.22 117.51 119.32 1nee h ILE 92 Ca 0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.14 1nee h ILE 92 Cb 0.03 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1nee h ILE 92 CO -0.07 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.58 1nee h GLU 93 N -0.81 0.00 0.01 2.37 4.57 -0.92 0.66 114.58 120.46 1nee h GLU 93 Ca -0.04 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 1nee h GLU 93 Cb 0.70 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1nee h GLU 93 CO -0.01 0.00 -0.89 -0.44 -1.18 0.00 0.00 179.01 176.49 1nee h ASP 94 N 0.00 0.09 0.00 1.04 3.32 -0.39 -1.72 116.42 118.76 1nee h ASP 94 Ca 0.31 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1nee h ASP 94 Cb 1.47 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1nee h ASP 94 CO -0.00 0.93 -0.65 1.88 -1.72 0.00 0.00 179.24 179.67 1nee h TYR 95 N 0.03 0.00 -0.74 4.55 0.05 0.10 -2.90 116.97 118.05 1nee h TYR 95 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1nee h TYR 95 Cb 1.55 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.26 1nee h TYR 95 CO 0.01 0.87 0.24 0.28 -1.05 0.00 0.00 178.16 178.51 1nee h VAL 96 N -1.00 1.26 -1.40 -2.88 2.07 -0.69 -3.00 116.25 110.61 1nee h VAL 96 Ca -0.15 -0.89 -0.65 0.00 0.82 0.00 0.00 66.70 65.83 1nee h VAL 96 Cb 0.90 0.43 -0.35 0.00 -1.52 0.00 0.00 31.29 30.74 1nee h VAL 96 CO -0.09 0.35 0.08 -3.20 0.02 0.00 0.00 177.57 174.74 1nee n ASN 97 N -4.25 6.16 0.07 0.57 2.85 -0.65 -4.61 115.26 115.40 1nee n ASN 97 Ca 0.06 -3.77 0.13 0.00 -0.11 0.00 0.00 54.58 50.89 1nee n ASN 97 Cb 0.22 -0.71 0.36 0.00 1.24 0.00 0.00 39.78 40.89 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1nee n LYS 98 N -0.63 0.22 -0.03 1.20 -0.00 -1.10 -2.84 118.16 114.98 1nee n LYS 98 Ca 0.49 0.13 -0.14 0.00 -0.00 0.00 0.00 58.31 58.80 1nee n LYS 98 Cb 0.60 -1.71 -0.11 0.00 -0.00 0.00 0.00 35.03 33.81 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1nee h PHE 99 N 0.00 0.14 -0.01 5.58 -0.00 -1.85 -1.62 116.94 119.18 1nee h PHE 99 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.97 57.91 1nee h PHE 99 Cb 0.69 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.62 1nee h PHE 99 CO 0.00 0.78 -0.23 0.28 -0.00 0.00 0.00 178.31 179.14 1nee n VAL 100 N -4.65 0.00 -0.13 0.88 0.31 -1.25 -0.01 118.33 113.47 1nee n VAL 100 Ca -0.09 -0.21 -0.23 0.00 -0.01 0.00 0.00 64.34 63.80 1nee n VAL 100 Cb 0.40 0.69 -0.10 0.00 -0.91 0.00 0.00 33.84 33.91 1nee n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nee n ILE 101 N -0.18 1.42 1.09 2.52 3.06 -1.13 -4.39 119.36 121.74 1nee n ILE 101 Ca 0.13 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.94 1nee n ILE 101 Cb 0.40 -1.62 0.00 0.00 0.54 0.00 0.00 39.64 38.96 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nee n HIS 103 N -0.05 -2.55 -3.42 0.00 8.25 -1.26 -3.55 115.22 112.65 1nee n HIS 103 Ca 0.00 0.96 -0.17 0.00 -0.26 0.00 0.00 57.72 58.25 1nee n HIS 103 Cb 0.23 -4.93 0.01 0.00 1.12 0.00 0.00 29.99 26.41 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 -4.55 -1.62 -0.36 -0.41 2.13 0.98 -4.78 120.64 112.02 1nee n GLU 104 Ca -0.10 1.23 0.00 0.00 0.66 0.00 0.00 57.16 58.96 1nee n GLU 104 Cb 0.60 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.61 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 1.39 0.00 -4.73 0.00 4.13 -1.26 -4.81 115.26 109.97 1nee n ASN 106 Ca 0.00 0.60 -0.41 0.00 1.68 0.00 0.00 54.58 56.45 1nee n ASN 106 Cb 0.43 -0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 1nee n ASN 106 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1nee s ARG 107 N -1.49 4.55 -0.45 3.52 0.52 -1.26 -4.88 118.95 119.46 1nee s ARG 107 Ca 0.00 1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 56.72 1nee s ARG 107 Cb 0.00 -3.28 -0.25 0.00 0.52 0.00 0.00 34.95 31.94 1nee s ARG 107 CO 0.00 -0.00 1.66 -2.30 0.02 0.00 0.00 175.30 174.67 1nee n PRO 108 N 2.62 0.04 -0.00 3.54 -0.02 -1.26 -4.44 135.00 135.47 1nee n PRO 108 Ca 0.04 -1.11 0.10 0.00 -2.02 0.00 0.00 63.50 60.51 1nee n PRO 108 Cb 0.46 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 30.97 1nee n PRO 108 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nee n ASP 109 N 12.68 0.62 -4.09 2.55 2.03 -1.26 -5.00 116.55 124.08 1nee n ASP 109 Ca 0.36 -0.48 -0.22 0.00 0.52 0.00 0.00 54.79 54.96 1nee n ASP 109 Cb 0.43 1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 42.22 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nee s THR 110 N -3.16 0.56 -0.64 5.18 -4.23 -1.26 -4.99 115.64 107.10 1nee s THR 110 Ca -0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1nee s THR 110 Cb 0.14 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.59 1nee s THR 110 CO 0.84 0.00 0.89 -0.60 -0.54 0.00 0.00 174.62 175.21 1nee s ARG 111 N -3.76 3.10 -0.20 3.99 6.06 -1.26 -5.02 118.95 121.86 1nee s ARG 111 Ca 0.30 -0.95 -0.13 0.00 -2.50 0.00 0.00 55.73 52.46 1nee s ARG 111 Cb 0.04 -4.23 -0.05 0.00 0.06 0.00 0.00 34.95 30.77 1nee s ARG 111 CO 0.16 -1.74 0.24 0.42 -2.50 0.00 0.00 175.30 171.89 1nee s ILE 112 N 3.70 5.32 -0.02 4.11 1.09 -1.26 -4.58 121.20 129.56 1nee s ILE 112 Ca 0.19 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.15 1nee s ILE 112 Cb -0.19 -3.58 0.03 0.00 -1.06 0.00 0.00 42.46 37.66 1nee s ILE 112 CO 0.09 0.36 0.02 -0.63 -0.10 0.00 0.00 174.94 174.69 1nee s ILE 113 N 0.77 -0.01 0.00 2.92 1.01 -1.25 -5.01 121.20 119.63 1nee s ILE 113 Ca 0.13 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.98 1nee s ILE 113 Cb -0.13 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 1nee s ILE 113 CO 0.04 0.09 -0.08 0.00 0.00 0.00 0.00 174.94 174.98 1nee s ARG 114 N 0.96 0.62 0.02 2.79 3.03 -1.25 -2.21 118.95 122.92 1nee s ARG 114 Ca -0.08 -0.37 0.01 0.00 2.03 0.00 0.00 55.73 57.32 1nee s ARG 114 Cb -0.12 -0.58 -0.02 0.00 -1.03 0.00 0.00 34.95 33.20 1nee s ARG 114 CO -0.02 0.15 -0.04 -2.00 -1.13 0.00 0.00 175.30 172.26 1nee s GLU 115 N -0.43 0.35 0.00 3.89 2.12 -0.91 -4.87 118.70 118.85 1nee s GLU 115 Ca 0.01 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1nee s GLU 115 Cb -0.04 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.27 1nee s GLU 115 CO -0.00 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1nee n GLY 116 N 1.89 0.95 3.13 -1.50 0.00 -1.26 -2.06 105.19 106.33 1nee n GLY 116 Ca -0.21 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -0.28 -1.58 -4.05 1.61 1.74 -1.26 -3.35 116.66 109.49 1nee n ARG 117 Ca 0.00 1.53 -0.36 0.00 -0.77 0.00 0.00 57.85 58.25 1nee n ARG 117 Cb 0.27 -5.18 -0.01 0.00 -1.02 0.00 0.00 32.46 26.51 1nee n ARG 117 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1nee n ILE 118 N -1.53 -2.92 -0.01 0.55 0.00 -1.26 -4.87 119.36 109.32 1nee n ILE 118 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 62.75 62.09 1nee n ILE 118 Cb 0.52 -2.41 -0.01 0.00 0.00 0.00 0.00 39.64 37.75 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 -2.60 4.10 -4.32 9.51 2.88 -1.21 -4.93 113.62 117.04 1nee n SER 119 Ca -0.20 -0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.09 1nee n SER 119 Cb 0.63 0.16 -0.12 0.00 -0.75 0.00 0.00 64.21 64.13 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 -4.78 2.35 -0.20 2.46 2.01 -0.88 -4.98 118.68 114.66 1nee s LEU 120 Ca -0.02 -0.75 -0.27 0.00 0.01 0.00 0.00 54.13 53.09 1nee s LEU 120 Cb 0.01 -0.93 0.09 0.00 0.01 0.00 0.00 46.19 45.37 1nee s LEU 120 CO 0.05 0.05 0.84 -0.22 1.01 0.00 0.00 176.35 178.08 1nee s LEU 121 N -2.18 -0.59 0.04 1.79 0.20 -0.74 -2.14 118.68 115.06 1nee s LEU 121 Ca 0.11 0.96 0.09 0.00 0.69 0.00 0.00 54.13 55.97 1nee s LEU 121 Cb -0.09 2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 47.88 1nee s LEU 121 CO 0.05 -0.32 -0.25 -0.75 -0.29 0.00 0.00 176.35 174.79 1nee s LYS 122 N -0.27 1.71 -0.29 1.98 2.20 -0.94 -2.42 119.74 121.71 1nee s LYS 122 Ca -0.02 -1.04 0.20 0.00 -0.36 0.00 0.00 55.97 54.75 1nee s LYS 122 Cb -0.03 -1.85 0.48 0.00 -1.51 0.00 0.00 37.83 34.93 1nee s LYS 122 CO 0.01 0.48 1.03 0.00 -0.36 0.00 0.00 175.35 176.52 1nee h GLU 124 N 2.79 0.00 0.00 0.00 4.39 -1.85 -2.44 114.58 117.47 1nee h GLU 124 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1nee h GLU 124 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1nee h GLU 124 CO 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 1nee n ALA 125 N -2.59 -0.18 -0.80 3.43 0.00 -1.26 -3.63 120.51 115.48 1nee n ALA 125 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 1nee n ALA 125 Cb 0.99 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.34 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 2.00 0.13 3.33 0.00 0.00 -0.95 -4.63 105.19 105.07 1nee n GLY 127 Ca 0.25 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.05 0.05 4.61 0.00 -1.02 -3.67 121.76 118.67 1nee s ALA 128 Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 1nee s ALA 128 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1nee s ALA 128 CO 0.00 -0.39 0.42 0.21 0.00 0.00 0.00 175.76 176.00 1nee s LYS 129 N -1.96 0.93 -0.54 0.00 2.47 -1.26 -4.57 119.74 114.80 1nee s LYS 129 Ca -0.09 -0.36 -0.28 0.00 -1.56 0.00 0.00 55.97 53.68 1nee s LYS 129 Cb -0.02 0.41 0.03 0.00 -1.46 0.00 0.00 37.83 36.79 1nee s LYS 129 CO 0.01 -0.32 1.17 0.00 0.16 0.00 0.00 175.35 176.37 1nee s ALA 130 N -2.49 3.06 1.00 3.13 0.00 -1.02 -4.34 121.76 121.10 1nee s ALA 130 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1nee s ALA 130 Cb -0.01 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1nee s ALA 130 CO -0.02 -2.50 0.00 -0.35 0.00 0.00 0.00 175.76 172.88 1nee n PRO 131 N 8.20 2.27 -3.32 0.00 -0.04 -1.20 -1.79 135.00 139.11 1nee n PRO 131 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1nee n PRO 131 Cb 0.49 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.99 1nee n PRO 131 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1nee s LEU 132 N 0.00 2.97 -0.00 1.53 -0.00 -1.26 -4.27 118.68 117.65 1nee s LEU 132 Ca 0.00 -0.98 -0.02 0.00 -0.00 0.00 0.00 54.13 53.13 1nee s LEU 132 Cb 0.00 -1.49 -0.04 0.00 -0.00 0.00 0.00 46.19 44.66 1nee s LEU 132 CO 0.00 -1.26 0.16 -0.75 -0.00 0.00 0.00 176.35 174.50 1nee s LYS 133 N -4.53 3.34 0.03 1.48 2.36 -1.26 -5.11 119.74 116.04 1nee s LYS 133 Ca 0.52 -0.38 0.05 0.00 -2.55 0.00 0.00 55.97 53.62 1nee s LYS 133 Cb -0.05 -3.03 -0.02 0.00 -1.05 0.00 0.00 37.83 33.68 1nee s LYS 133 CO 0.33 0.66 -0.14 0.54 1.55 0.00 0.00 175.35 178.29 1nee s ASN 134 N -1.95 1.67 0.00 1.43 4.22 -1.26 -5.20 114.94 113.85 1nee s ASN 134 Ca 0.27 -0.41 0.29 0.00 -2.14 0.00 0.00 52.86 50.88 1nee s ASN 134 Cb -0.12 -0.13 1.36 0.00 1.28 0.00 0.00 41.25 43.64 1nee s ASN 134 CO 0.19 0.07 1.92 0.55 -2.04 0.00 0.00 177.10 177.79