#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3v n ASN 3 N 0.00 0.00 -4.71 4.04 3.02 -1.26 -4.97 115.26 111.37 3h3v n ASN 3 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 3h3v n ASN 3 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3h3v n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h3v s THR 4 N 2.46 1.85 0.00 3.41 2.01 -1.26 -4.57 115.64 119.54 3h3v s THR 4 Ca 0.00 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.13 3h3v s THR 4 Cb 0.00 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3h3v s THR 4 CO 0.00 0.00 0.04 0.18 -0.69 0.00 0.00 174.62 174.15 3h3v n LEU 5 N -1.18 0.08 -3.34 4.42 4.77 -1.24 -4.86 117.00 115.66 3h3v n LEU 5 Ca -0.07 -0.17 0.02 0.00 -0.03 0.00 0.00 56.01 55.76 3h3v n LEU 5 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3h3v n LEU 5 CO 0.45 0.02 0.53 0.12 -1.33 0.00 0.00 177.39 177.18 3h3v s PHE 6 N -0.19 -0.80 -0.08 -1.77 5.36 -1.26 -4.44 117.98 114.80 3h3v s PHE 6 Ca 0.00 1.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.17 3h3v s PHE 6 Cb 0.00 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.06 3h3v s PHE 6 CO 0.00 -0.41 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.75 3h3v s ASP 7 N 2.64 4.47 0.00 6.13 1.01 -1.26 -3.19 116.67 126.46 3h3v s ASP 7 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.16 3h3v s ASP 7 Cb -0.08 -1.21 0.00 0.00 1.01 0.00 0.00 42.92 42.64 3h3v s ASP 7 CO -0.17 0.32 0.00 -0.67 0.21 0.00 0.00 175.17 174.86 3h3v n ASP 8 N 2.51 0.00 -3.47 0.27 2.03 -1.21 -5.01 116.55 111.67 3h3v n ASP 8 Ca -0.18 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.09 3h3v n ASP 8 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3h3v n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h3v s ILE 9 N -2.31 -0.77 0.54 5.18 1.01 -1.26 -2.31 121.20 121.28 3h3v s ILE 9 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3h3v s ILE 9 Cb 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.69 3h3v s ILE 9 CO 0.00 -0.01 0.45 0.49 0.00 0.00 0.00 174.94 175.87 3h3v n PHE 10 N 5.40 -0.81 -3.97 3.97 3.01 -0.08 -3.23 117.46 121.75 3h3v n PHE 10 Ca -0.06 -2.26 -0.25 0.00 1.01 0.00 0.00 57.45 55.89 3h3v n PHE 10 Cb 0.50 -0.45 -0.17 0.00 -0.01 0.00 0.00 39.48 39.34 3h3v n PHE 10 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3h3v s GLN 11 N -4.27 1.21 -0.90 -1.08 0.74 -0.84 -2.17 119.66 112.36 3h3v s GLN 11 Ca 0.34 -0.15 -0.24 0.00 0.05 0.00 0.00 55.36 55.36 3h3v s GLN 11 Cb -0.03 -1.31 -0.19 0.00 1.10 0.00 0.00 33.01 32.58 3h3v s GLN 11 CO 0.22 -0.22 2.17 0.28 -0.55 0.00 0.00 175.29 177.18 3h3v n VAL 12 N 4.77 0.00 -0.35 1.34 0.31 -1.24 -2.91 118.33 120.25 3h3v n VAL 12 Ca -0.14 -0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.02 3h3v n VAL 12 Cb 0.50 -1.78 0.24 0.00 -0.91 0.00 0.00 33.84 31.89 3h3v n VAL 12 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3h3v h SER 13 N 11.89 0.89 -3.39 4.52 4.64 -1.08 0.68 113.55 131.70 3h3v h SER 13 Ca 0.00 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3h3v h SER 13 Cb 1.01 -0.12 -0.25 0.00 -0.31 0.00 0.00 62.40 62.72 3h3v h SER 13 CO 1.03 0.46 0.38 -0.70 -0.87 0.00 0.00 176.83 177.13 3h3v s GLU 14 N -5.96 0.58 -0.01 4.77 2.12 -1.14 -4.68 118.70 114.39 3h3v s GLU 14 Ca -0.12 0.69 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 3h3v s GLU 14 Cb 0.22 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.86 3h3v s GLU 14 CO 0.81 -0.07 0.15 0.08 -0.54 0.00 0.00 175.26 175.68 3h3v s VAL 15 N 0.26 5.18 -0.03 3.70 1.01 -1.26 -2.20 120.40 127.06 3h3v s VAL 15 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3h3v s VAL 15 Cb -0.05 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3h3v s VAL 15 CO -0.05 0.33 0.03 -0.62 0.00 0.00 0.00 175.10 174.80 3h3v s ASP 16 N -1.87 0.66 -0.62 3.32 2.15 -0.21 -5.01 116.67 115.09 3h3v s ASP 16 Ca 0.26 0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.32 3h3v s ASP 16 Cb -0.12 -0.16 0.22 0.00 -0.30 0.00 0.00 42.92 42.56 3h3v s ASP 16 CO 0.17 -0.17 0.63 -0.81 -0.17 0.00 0.00 175.17 174.82 3h3v n PRO 17 N 4.66 2.02 -2.30 4.34 -0.04 -1.26 -0.87 135.00 141.54 3h3v n PRO 17 Ca -0.17 -4.39 -0.41 0.00 -0.04 0.00 0.00 63.50 58.49 3h3v n PRO 17 Cb 0.50 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.83 3h3v n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h3v n GLY 18 N 1.33 2.85 2.12 0.55 0.00 -1.26 -4.01 105.19 106.77 3h3v n GLY 18 Ca 0.26 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 3h3v n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3v n ARG 19 N 7.84 -0.48 -3.92 1.61 5.12 -1.26 -5.01 116.66 120.56 3h3v n ARG 19 Ca 0.49 0.34 -0.29 0.00 -1.93 0.00 0.00 57.85 56.46 3h3v n ARG 19 Cb 0.44 -4.17 -0.13 0.00 -1.16 0.00 0.00 32.46 27.44 3h3v n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3h3v s TYR 20 N -2.30 3.29 -0.94 -1.55 4.12 -1.26 -4.97 117.35 113.74 3h3v s TYR 20 Ca 0.00 -3.22 0.00 0.00 0.02 0.00 0.00 57.07 53.87 3h3v s TYR 20 Cb 0.00 -2.75 0.00 0.00 -1.52 0.00 0.00 41.96 37.69 3h3v s TYR 20 CO 0.00 -0.67 0.64 0.09 0.02 0.00 0.00 175.55 175.63 3h3v n ASN 21 N 2.70 0.00 0.00 2.29 3.02 -1.26 -2.79 115.26 119.22 3h3v n ASN 21 Ca 0.10 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3h3v n ASN 21 Cb 0.33 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3h3v n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h3v n LYS 22 N -1.14 0.00 -3.71 3.52 5.02 -1.26 -4.98 118.16 115.61 3h3v n LYS 22 Ca 0.00 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3h3v n LYS 22 Cb 0.10 -0.48 -0.09 0.00 -0.02 0.00 0.00 35.03 34.54 3h3v n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h3v s VAL 23 N 0.00 0.01 0.03 -0.18 1.01 -1.12 -2.79 120.40 117.36 3h3v s VAL 23 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3h3v s VAL 23 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3h3v s VAL 23 CO 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 175.10 174.93 3h3v s ARG 25 N -0.96 4.39 0.33 0.00 3.52 -0.05 0.66 118.95 126.84 3h3v s ARG 25 Ca 0.03 0.70 0.10 0.00 -0.13 0.00 0.00 55.73 56.42 3h3v s ARG 25 Cb -0.07 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 3h3v s ARG 25 CO 0.01 0.09 -0.11 0.42 -0.81 0.00 0.00 175.30 174.90 3h3v s ILE 26 N 0.77 2.25 -0.06 4.11 1.01 0.16 -1.05 121.20 128.39 3h3v s ILE 26 Ca 0.33 -2.23 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 3h3v s ILE 26 Cb -0.17 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.74 3h3v s ILE 26 CO 0.15 -0.23 0.11 -1.61 0.00 0.00 0.00 174.94 173.35 3h3v s GLU 27 N -3.60 0.00 0.24 2.79 2.02 -0.94 0.94 118.70 120.15 3h3v s GLU 27 Ca 0.32 0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.74 3h3v s GLU 27 Cb 0.02 -0.32 -0.05 0.00 0.10 0.00 0.00 34.13 33.88 3h3v s GLU 27 CO 0.16 -0.26 0.02 0.00 0.02 0.00 0.00 175.26 175.20 3h3v s ALA 28 N 1.80 1.84 0.26 5.21 0.00 0.23 -0.40 121.76 130.71 3h3v s ALA 28 Ca -0.01 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.23 3h3v s ALA 28 Cb -0.12 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 3h3v s ALA 28 CO -0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 175.76 175.29 3h3v s ALA 29 N -3.46 2.42 0.07 0.00 0.00 -1.14 0.37 121.76 120.02 3h3v s ALA 29 Ca 0.30 -1.83 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 3h3v s ALA 29 Cb 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 3h3v s ALA 29 CO 0.10 0.11 0.72 0.45 0.00 0.00 0.00 175.76 177.14 3h3v s SER 30 N -3.44 7.21 -0.71 0.00 0.15 -0.25 -1.98 113.70 114.68 3h3v s SER 30 Ca 0.27 1.44 -0.03 0.00 0.70 0.00 0.00 55.95 58.33 3h3v s SER 30 Cb -0.01 -2.45 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 3h3v s SER 30 CO 0.12 0.11 2.47 0.41 1.20 0.00 0.00 173.24 177.54 3h3v n THR 31 N 2.34 3.85 0.00 6.45 -1.04 -1.20 -4.33 114.28 120.35 3h3v n THR 31 Ca -0.05 -3.72 0.00 0.00 -2.04 0.00 0.00 64.05 58.24 3h3v n THR 31 Cb 0.50 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3h3v n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3h3v n THR 32 N 0.56 0.00 -2.75 12.58 -1.04 -1.26 -4.99 114.28 117.38 3h3v n THR 32 Ca 0.52 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 62.13 3h3v n THR 32 Cb 0.41 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.86 3h3v n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3h3v s GLN 33 N 0.19 4.80 -0.01 -2.82 1.11 -1.26 -4.91 119.66 116.76 3h3v s GLN 33 Ca 0.00 1.47 0.07 0.00 0.01 0.00 0.00 55.36 56.92 3h3v s GLN 33 Cb 0.00 -3.31 0.23 0.00 -1.01 0.00 0.00 33.01 28.92 3h3v s GLN 33 CO 0.00 0.42 1.14 -0.25 0.01 0.00 0.00 175.29 176.61 3h3v n ASP 34 N 1.93 1.55 -0.12 5.90 8.00 -1.26 -3.42 116.55 129.12 3h3v n ASP 34 Ca -0.01 -2.05 -0.24 0.00 0.71 0.00 0.00 54.79 53.21 3h3v n ASP 34 Cb 0.48 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3h3v n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3v n GLN 35 N 0.23 0.55 -1.54 -1.24 6.02 -1.26 -4.94 117.38 115.20 3h3v n GLN 35 Ca 0.09 0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 56.89 3h3v n GLN 35 Cb 0.27 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 3h3v n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h3v s LYS 37 N 7.86 2.52 -0.13 0.00 1.02 -1.24 -1.09 119.74 128.69 3h3v s LYS 37 Ca 1.05 -1.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.33 3h3v s LYS 37 Cb -0.41 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.61 3h3v s LYS 37 CO 0.33 -0.09 0.48 -1.17 -0.92 0.00 0.00 175.35 173.98 3h3v s LEU 38 N -4.04 0.17 -0.01 3.17 2.96 0.16 -2.75 118.68 118.34 3h3v s LEU 38 Ca 0.45 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 3h3v s LEU 38 Cb -0.03 1.72 0.00 0.00 0.50 0.00 0.00 46.19 48.38 3h3v s LEU 38 CO 0.26 -0.30 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.06 3h3v s THR 39 N -0.31 0.40 -0.29 3.68 2.01 -0.59 -0.60 115.64 119.95 3h3v s THR 39 Ca -0.05 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 3h3v s THR 39 Cb -0.03 -0.36 0.11 0.00 0.01 0.00 0.00 72.50 72.22 3h3v s THR 39 CO 0.03 0.13 0.74 -0.22 -0.69 0.00 0.00 174.62 174.61 3h3v s LEU 40 N 0.08 -0.91 0.00 4.42 2.96 0.27 -0.54 118.68 124.95 3h3v s LEU 40 Ca -0.00 1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 55.00 3h3v s LEU 40 Cb -0.04 2.24 -0.04 0.00 0.50 0.00 0.00 46.19 48.84 3h3v s LEU 40 CO -0.00 -0.21 1.18 -1.81 -1.32 0.00 0.00 176.35 174.18 3h3v s ASP 41 N 1.94 7.10 -0.03 3.68 1.01 -1.07 0.38 116.67 129.68 3h3v s ASP 41 Ca -0.09 1.89 -0.02 0.00 0.71 0.00 0.00 52.55 55.05 3h3v s ASP 41 Cb -0.07 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3h3v s ASP 41 CO -0.19 -0.50 0.07 -0.63 0.21 0.00 0.00 175.17 174.13 3h3v s ILE 42 N 1.56 -0.02 -0.51 0.77 1.01 0.21 -4.73 121.20 119.48 3h3v s ILE 42 Ca 0.57 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 3h3v s ILE 42 Cb -0.26 -0.12 -0.08 0.00 0.01 0.00 0.00 42.46 42.01 3h3v s ILE 42 CO 0.26 0.03 2.43 -3.20 0.00 0.00 0.00 174.94 174.46 3h3v n ASN 43 N 3.48 2.22 -0.75 3.58 2.85 -1.26 -1.19 115.26 124.19 3h3v n ASN 43 Ca -0.18 -0.45 0.02 0.00 -0.11 0.00 0.00 54.58 53.86 3h3v n ASN 43 Cb 0.56 -1.55 0.11 0.00 1.24 0.00 0.00 39.78 40.15 3h3v n ASN 43 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3h3v n VAL 44 N 7.97 0.65 -0.04 3.44 0.31 -1.12 -2.33 118.33 127.21 3h3v n VAL 44 Ca 0.39 -0.37 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 3h3v n VAL 44 Cb 0.51 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.14 3h3v n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h3v n GLU 45 N 0.17 1.05 0.10 5.55 2.13 -1.24 -4.14 120.64 124.27 3h3v n GLU 45 Ca 0.08 0.03 0.06 0.00 0.66 0.00 0.00 57.16 57.99 3h3v n GLU 45 Cb 0.42 -1.18 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 3h3v n GLU 45 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3h3v h LEU 46 N 0.00 0.00 -6.06 4.31 3.38 -1.87 -3.42 115.31 111.66 3h3v h LEU 46 Ca -0.19 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.53 3h3v h LEU 46 Cb 1.34 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.84 3h3v h LEU 46 CO -0.02 0.31 -0.60 0.12 0.09 0.00 0.00 178.44 178.35 3h3v s PHE 47 N -3.10 -0.88 0.90 1.13 5.36 -0.98 -5.06 117.98 115.34 3h3v s PHE 47 Ca 0.00 -0.52 -0.13 0.00 -0.96 0.00 0.00 56.93 55.33 3h3v s PHE 47 Cb 0.08 -0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.72 3h3v s PHE 47 CO 0.77 -1.07 0.62 -2.30 -1.46 0.00 0.00 175.22 171.78 3h3v n PRO 48 N 4.03 -0.19 -3.39 10.12 -0.02 -1.26 -4.31 135.00 139.98 3h3v n PRO 48 Ca 0.13 -0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3h3v n PRO 48 Cb 0.51 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3h3v n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h3v s VAL 49 N -2.34 -0.59 0.22 -1.45 1.01 -1.26 -5.02 120.40 110.96 3h3v s VAL 49 Ca 0.61 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 3h3v s VAL 49 Cb -0.24 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3h3v s VAL 49 CO 0.63 -0.10 0.47 0.00 0.00 0.00 0.00 175.10 176.10 3h3v s ALA 50 N 2.54 3.70 0.16 5.51 0.00 -1.26 -4.91 121.76 127.51 3h3v s ALA 50 Ca 0.11 -0.57 -0.34 0.00 0.00 0.00 0.00 51.96 51.16 3h3v s ALA 50 Cb -0.15 -2.21 -0.15 0.00 0.00 0.00 0.00 23.12 20.61 3h3v s ALA 50 CO -0.15 0.45 1.37 0.00 0.00 0.00 0.00 175.76 177.43 3h3v n ALA 51 N -0.46 0.10 -2.21 0.00 0.00 -1.26 -4.38 120.51 112.30 3h3v n ALA 51 Ca -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3h3v n ALA 51 Cb 0.53 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 3h3v n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h3v n GLN 52 N 2.46 -4.34 -3.55 0.00 6.02 0.24 -4.95 117.38 113.26 3h3v n GLN 52 Ca 0.16 3.24 -0.15 0.00 -0.01 0.00 0.00 57.00 60.24 3h3v n GLN 52 Cb 0.25 -4.19 -0.06 0.00 1.02 0.00 0.00 30.24 27.26 3h3v n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h3v s ASP 53 N -0.52 -0.57 -1.20 1.08 1.01 -1.26 -4.79 116.67 110.42 3h3v s ASP 53 Ca -0.06 0.67 -0.12 0.00 0.71 0.00 0.00 52.55 53.76 3h3v s ASP 53 Cb 0.00 0.54 -0.06 0.00 1.01 0.00 0.00 42.92 44.40 3h3v s ASP 53 CO 0.15 -0.49 2.33 -1.54 0.21 0.00 0.00 175.17 175.83 3h3v n SER 54 N 1.01 5.27 -4.67 0.27 3.41 -1.26 -3.67 113.62 113.98 3h3v n SER 54 Ca -0.16 -2.57 -0.43 0.00 -0.26 0.00 0.00 58.87 55.45 3h3v n SER 54 Cb 0.57 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.15 3h3v n SER 54 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h3v s LEU 55 N 0.79 4.15 0.08 1.04 1.43 -0.92 -4.76 118.68 120.49 3h3v s LEU 55 Ca 0.53 1.51 -0.26 0.00 -1.03 0.00 0.00 54.13 54.88 3h3v s LEU 55 Cb 0.14 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3h3v s LEU 55 CO -0.02 -0.66 0.79 -0.89 0.23 0.00 0.00 176.35 175.80 3h3v s THR 56 N 3.04 4.61 -0.08 5.49 2.01 -1.12 -0.90 115.64 128.69 3h3v s THR 56 Ca 0.48 1.70 0.01 0.00 0.31 0.00 0.00 61.69 64.19 3h3v s THR 56 Cb -0.18 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.21 3h3v s THR 56 CO 0.11 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 3h3v s VAL 57 N -0.34 0.96 0.25 3.82 1.01 -0.98 -3.26 120.40 121.86 3h3v s VAL 57 Ca 0.39 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3h3v s VAL 57 Cb -0.21 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3h3v s VAL 57 CO 0.25 0.33 -0.01 -0.89 0.00 0.00 0.00 175.10 174.77 3h3v s THR 58 N 1.06 1.19 0.00 3.92 2.01 -0.45 -3.35 115.64 120.02 3h3v s THR 58 Ca -0.08 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 59.87 3h3v s THR 58 Cb -0.14 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.98 3h3v s THR 58 CO -0.01 -0.30 0.00 -0.38 -0.69 0.00 0.00 174.62 173.24 3h3v n ILE 59 N -0.47 0.00 0.00 1.82 5.41 -1.19 -2.04 119.36 122.89 3h3v n ILE 59 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3h3v n ILE 59 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 3h3v n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3v n ALA 60 N -3.00 0.00 -3.94 -1.39 0.00 -1.25 -3.61 120.51 107.31 3h3v n ALA 60 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3h3v n ALA 60 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3h3v n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h3v s SER 61 N 0.00 4.55 0.00 0.00 1.04 -1.26 -0.91 113.70 117.12 3h3v s SER 61 Ca 0.00 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.43 3h3v s SER 61 Cb 0.00 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3h3v s SER 61 CO 0.00 -0.39 0.00 -0.24 0.98 0.00 0.00 173.24 173.59 3h3v n SER 62 N 4.42 0.00 -0.53 7.02 2.88 -1.26 -4.50 113.62 121.64 3h3v n SER 62 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3h3v n SER 62 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3h3v n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3h3v n LEU 63 N 0.00 0.00 -0.44 2.46 4.77 -1.26 -4.89 117.00 117.63 3h3v n LEU 63 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3h3v n LEU 63 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3h3v n LEU 63 CO 0.00 -0.06 0.00 0.41 -1.33 0.00 0.00 177.39 176.41 3h3v n THR 76 N 0.33 -0.24 -1.44 -5.08 -1.04 -1.26 -3.86 114.28 101.70 3h3v n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3h3v n THR 76 Cb 0.00 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 3h3v n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3h3v n ARG 77 N -0.44 -3.02 -0.98 -2.82 1.74 -1.26 -4.92 116.66 104.95 3h3v n ARG 77 Ca 0.00 2.32 -0.37 0.00 -0.77 0.00 0.00 57.85 59.04 3h3v n ARG 77 Cb 0.16 -2.99 0.03 0.00 -1.02 0.00 0.00 32.46 28.64 3h3v n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h3v n SER 78 N -2.09 -2.94 -4.37 0.55 3.41 -1.26 -4.97 113.62 101.96 3h3v n SER 78 Ca 0.00 -0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3h3v n SER 78 Cb 0.26 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 3h3v n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3h3v s TRP 79 N -2.00 2.97 0.39 7.33 -0.00 -1.26 -5.12 118.94 121.25 3h3v s TRP 79 Ca 0.34 -0.72 -0.10 0.00 -0.00 0.00 0.00 56.10 55.62 3h3v s TRP 79 Cb 0.10 -2.07 -0.06 0.00 -0.00 0.00 0.00 33.47 31.44 3h3v s TRP 79 CO 0.62 -0.39 0.74 1.03 -0.00 0.00 0.00 176.95 178.95 3h3v s ARG 80 N 1.16 3.76 0.00 5.86 0.52 -1.26 -5.10 118.95 123.89 3h3v s ARG 80 Ca 0.02 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 3h3v s ARG 80 Cb -0.14 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3h3v s ARG 80 CO -0.00 -0.01 0.00 -2.30 0.02 0.00 0.00 175.30 173.01 3h3v n PRO 81 N -1.26 1.93 0.00 3.54 -0.02 -1.26 -4.97 135.00 132.96 3h3v n PRO 81 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3h3v n PRO 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3h3v n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h3v n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.67 135.00 129.55 3h3v n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3h3v n PRO 82 Cb 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 3h3v n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3h3v n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.53 117.38 118.15 3h3v n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3h3v n GLN 83 Cb 0.00 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.15 3h3v n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h3v n ALA 84 N 0.00 0.97 0.01 -1.58 0.00 -1.26 -2.25 120.51 116.40 3h3v n ALA 84 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3h3v n ALA 84 Cb 0.00 -0.75 0.34 0.00 0.00 0.00 0.00 19.45 19.05 3h3v n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h3v h GLY 85 N 0.30 0.53 -6.22 0.00 0.00 -1.96 -2.94 103.07 92.78 3h3v h GLY 85 Ca 0.00 -0.28 -0.60 0.00 0.00 0.00 0.00 47.33 46.45 3h3v h GLY 85 CO 0.00 0.27 -0.57 1.22 0.00 0.00 0.00 176.54 177.46 3h3v n ASP 86 N -4.33 3.81 -3.15 0.19 8.00 -0.95 -5.04 116.55 115.07 3h3v n ASP 86 Ca 0.02 -3.45 -0.08 0.00 0.71 0.00 0.00 54.79 51.99 3h3v n ASP 86 Cb 0.20 -0.68 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 3h3v n ASP 86 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3h3v s ARG 87 N -2.48 2.03 0.67 -1.24 0.52 -1.11 -5.10 118.95 112.24 3h3v s ARG 87 Ca 0.40 -1.28 -0.17 0.00 -0.52 0.00 0.00 55.73 54.16 3h3v s ARG 87 Cb 0.14 0.59 0.00 0.00 0.52 0.00 0.00 34.95 36.21 3h3v s ARG 87 CO -0.01 -0.95 1.22 -1.54 0.02 0.00 0.00 175.30 174.04 3h3v s SER 88 N -3.08 4.62 -0.44 0.23 1.04 -1.26 -4.99 113.70 109.82 3h3v s SER 88 Ca 0.15 2.41 0.07 0.00 0.48 0.00 0.00 55.95 59.06 3h3v s SER 88 Cb -0.05 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.75 3h3v s SER 88 CO 0.10 -1.98 0.82 0.18 0.98 0.00 0.00 173.24 173.34 3h3v n LEU 89 N -2.19 -1.44 -1.05 2.42 4.77 -1.26 -4.95 117.00 113.29 3h3v n LEU 89 Ca 0.14 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 3h3v n LEU 89 Cb 0.50 0.79 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 3h3v n LEU 89 CO 0.46 2.08 0.04 0.00 -1.33 0.00 0.00 177.39 178.65 3h3v n ALA 90 N 1.12 1.59 -0.96 -1.18 0.00 -1.25 -3.87 120.51 115.95 3h3v n ALA 90 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 3h3v n ALA 90 Cb 0.62 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 19.13 3h3v n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h3v n ASP 91 N 1.01 5.47 -1.83 0.00 5.75 -1.26 -4.76 116.55 120.94 3h3v n ASP 91 Ca 0.00 -3.39 -0.01 0.00 -0.01 0.00 0.00 54.79 51.39 3h3v n ASP 91 Cb 0.04 -0.89 -0.01 0.00 -1.03 0.00 0.00 41.12 39.23 3h3v n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3h3v n ASP 92 N -0.60 2.55 -1.01 -1.12 8.00 -1.25 -4.67 116.55 118.45 3h3v n ASP 92 Ca 0.48 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3h3v n ASP 92 Cb 1.01 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3h3v n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h3v n TYR 93 N 1.89 0.00 -1.71 1.24 4.02 -1.26 -4.85 117.16 116.49 3h3v n TYR 93 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 3h3v n TYR 93 Cb 0.26 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.69 3h3v n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3h3v n ASP 94 N -2.95 1.41 -3.15 7.72 8.00 0.42 -4.92 116.55 123.08 3h3v n ASP 94 Ca 0.00 -2.89 0.06 0.00 0.71 0.00 0.00 54.79 52.66 3h3v n ASP 94 Cb 0.00 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 3h3v n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3h3v s TYR 95 N -1.81 -0.32 -0.31 1.24 6.04 -0.90 -4.87 117.35 116.41 3h3v s TYR 95 Ca 0.28 0.27 0.01 0.00 0.04 0.00 0.00 57.07 57.67 3h3v s TYR 95 Cb 0.27 0.09 0.10 0.00 -1.04 0.00 0.00 41.96 41.38 3h3v s TYR 95 CO -0.05 -0.18 0.07 0.08 -1.54 0.00 0.00 175.55 173.93 3h3v s VAL 96 N 2.97 1.35 0.59 3.14 1.01 -1.26 -0.87 120.40 127.32 3h3v s VAL 96 Ca 0.09 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.47 3h3v s VAL 96 Cb -0.06 -1.99 0.09 0.00 0.00 0.00 0.00 36.38 34.42 3h3v s VAL 96 CO -0.15 -0.62 0.81 -0.04 0.00 0.00 0.00 175.10 175.11 3h3v s MET 97 N 1.38 2.24 -0.20 2.72 -1.94 -1.03 -4.89 119.30 117.60 3h3v s MET 97 Ca 0.09 -1.53 -0.13 0.00 -1.71 0.00 0.00 55.69 52.41 3h3v s MET 97 Cb -0.18 -2.61 0.06 0.00 2.01 0.00 0.00 34.83 34.12 3h3v s MET 97 CO -0.19 -0.91 0.49 -0.47 -0.01 0.00 0.00 175.02 173.93 3h3v s TYR 98 N -2.72 -0.67 0.00 -0.03 5.04 -1.26 -0.77 117.35 116.93 3h3v s TYR 98 Ca 0.62 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 3h3v s TYR 98 Cb -0.06 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.56 3h3v s TYR 98 CO 0.39 -0.35 0.00 0.41 -1.34 0.00 0.00 175.55 174.66 3h3v n GLY 99 N 3.82 3.21 3.09 8.97 0.00 -1.25 -4.14 105.19 118.88 3h3v n GLY 99 Ca -0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 3h3v n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3v s THR 100 N -0.42 0.21 -0.14 2.61 2.01 0.18 -4.14 115.64 115.95 3h3v s THR 100 Ca 0.00 -1.69 -0.06 0.00 0.31 0.00 0.00 61.69 60.24 3h3v s THR 100 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3h3v s THR 100 CO 0.00 -0.94 0.09 0.00 -0.69 0.00 0.00 174.62 173.08 3h3v s ALA 101 N -3.72 3.61 -0.19 7.40 0.00 -1.25 0.13 121.76 127.74 3h3v s ALA 101 Ca 0.05 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3h3v s ALA 101 Cb 0.06 -1.88 -0.16 0.00 0.00 0.00 0.00 23.12 21.15 3h3v s ALA 101 CO -0.09 0.45 -0.08 2.48 0.00 0.00 0.00 175.76 178.52 3h3v n TYR 102 N 2.59 0.00 -4.17 0.00 -0.00 -0.63 -4.85 117.16 110.10 3h3v n TYR 102 Ca -0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.58 3h3v n TYR 102 Cb 0.54 -0.79 -0.11 0.00 -0.00 0.00 0.00 39.34 38.98 3h3v n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3h3v s LYS 103 N -2.40 0.83 -0.57 -3.48 2.20 -1.25 -5.02 119.74 110.06 3h3v s LYS 103 Ca -0.19 -1.16 0.06 0.00 -0.36 0.00 0.00 55.97 54.32 3h3v s LYS 103 Cb 0.06 -0.49 0.32 0.00 -1.51 0.00 0.00 37.83 36.21 3h3v s LYS 103 CO 0.55 0.07 0.88 1.19 -0.36 0.00 0.00 175.35 177.68 3h3v n PHE 104 N 0.54 3.50 -1.75 4.03 3.01 -1.26 -1.16 117.46 124.37 3h3v n PHE 104 Ca -0.16 -4.00 -0.41 0.00 1.01 0.00 0.00 57.45 53.89 3h3v n PHE 104 Cb 0.58 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.57 3h3v n PHE 104 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3h3v n GLU 105 N 0.07 2.24 -3.67 -1.08 2.13 -1.15 -4.81 120.64 114.37 3h3v n GLU 105 Ca 0.30 0.79 -0.35 0.00 0.66 0.00 0.00 57.16 58.56 3h3v n GLU 105 Cb 0.42 -2.56 -0.07 0.00 0.27 0.00 0.00 31.44 29.50 3h3v n GLU 105 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3h3v s GLU 106 N -2.30 3.18 -0.82 5.31 2.12 -1.26 -0.91 118.70 124.02 3h3v s GLU 106 Ca 0.59 -3.30 -0.25 0.00 0.36 0.00 0.00 54.97 52.37 3h3v s GLU 106 Cb -0.47 -3.89 -0.07 0.00 0.26 0.00 0.00 34.13 29.95 3h3v s GLU 106 CO 0.59 -1.27 2.10 0.08 -0.54 0.00 0.00 175.26 176.22 3h3v s VAL 107 N -1.39 3.28 0.00 3.70 1.01 -0.02 -4.81 120.40 122.17 3h3v s VAL 107 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3h3v s VAL 107 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3h3v s VAL 107 CO -0.13 -0.62 0.00 -1.54 0.00 0.00 0.00 175.10 172.81 3h3v n SER 108 N 15.40 0.00 0.00 3.32 3.41 -1.26 -4.18 113.62 130.31 3h3v n SER 108 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3h3v n SER 108 Cb 0.47 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 3h3v n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h3v n LYS 109 N -1.92 0.00 -3.04 4.33 5.02 -1.26 -2.75 118.16 118.53 3h3v n LYS 109 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3h3v n LYS 109 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3h3v n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3h3v n ASP 110 N -3.04 6.04 -3.68 4.39 5.75 -1.26 -4.89 116.55 119.85 3h3v n ASP 110 Ca 0.00 -3.45 -0.29 0.00 -0.01 0.00 0.00 54.79 51.04 3h3v n ASP 110 Cb 0.00 -1.15 -0.13 0.00 -1.03 0.00 0.00 41.12 38.82 3h3v n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3h3v s LEU 111 N -2.90 2.59 0.02 -2.12 1.43 -1.11 -4.63 118.68 111.96 3h3v s LEU 111 Ca 0.34 -2.70 -0.21 0.00 -1.03 0.00 0.00 54.13 50.53 3h3v s LEU 111 Cb 0.08 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 3h3v s LEU 111 CO 0.07 -0.25 0.61 -0.63 0.23 0.00 0.00 176.35 176.37 3h3v s ILE 112 N 0.28 4.83 -0.22 -0.59 1.01 -1.24 -0.84 121.20 124.44 3h3v s ILE 112 Ca 0.19 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 3h3v s ILE 112 Cb -0.21 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.38 3h3v s ILE 112 CO -0.02 0.45 0.01 0.00 0.00 0.00 0.00 174.94 175.38 3h3v s ALA 113 N -0.44 1.35 0.25 9.38 0.00 -0.08 -2.66 121.76 129.54 3h3v s ALA 113 Ca 0.31 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 3h3v s ALA 113 Cb -0.19 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 3h3v s ALA 113 CO 0.18 -1.22 0.72 0.14 0.00 0.00 0.00 175.76 175.59 3h3v s VAL 114 N 1.69 4.61 -0.15 0.00 -7.23 -0.97 -2.94 120.40 115.42 3h3v s VAL 114 Ca -0.02 1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 61.26 3h3v s VAL 114 Cb -0.18 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 3h3v s VAL 114 CO -0.09 0.09 0.04 -0.31 -0.31 0.00 0.00 175.10 174.53 3h3v s TYR 115 N -1.66 3.24 0.13 2.82 1.51 -0.31 -1.57 117.35 121.51 3h3v s TYR 115 Ca 0.46 0.10 0.10 0.00 -1.01 0.00 0.00 57.07 56.72 3h3v s TYR 115 Cb -0.15 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 3h3v s TYR 115 CO 0.20 0.26 -0.24 0.71 -1.11 0.00 0.00 175.55 175.36 3h3v s TYR 116 N -0.04 2.14 -0.08 2.71 1.51 0.44 -1.60 117.35 122.44 3h3v s TYR 116 Ca 0.05 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3h3v s TYR 116 Cb -0.12 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.63 3h3v s TYR 116 CO 0.01 0.33 0.10 0.45 -1.11 0.00 0.00 175.55 175.33 3h3v s SER 117 N -2.15 1.14 -0.49 2.29 0.15 0.35 0.02 113.70 115.02 3h3v s SER 117 Ca 0.13 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 3h3v s SER 117 Cb -0.09 0.01 0.13 0.00 -1.71 0.00 0.00 66.02 64.35 3h3v s SER 117 CO 0.06 -0.26 0.36 -0.36 1.20 0.00 0.00 173.24 174.24 3h3v s PHE 118 N 2.22 3.45 0.00 3.44 0.40 0.64 0.48 117.98 128.60 3h3v s PHE 118 Ca 0.04 -1.96 0.00 0.00 -0.60 0.00 0.00 56.93 54.41 3h3v s PHE 118 Cb -0.13 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.92 3h3v s PHE 118 CO -0.05 -0.99 0.00 0.41 0.70 0.00 0.00 175.22 175.29 3h3v n GLY 119 N 4.78 0.07 0.00 4.36 0.00 -1.26 -0.27 105.19 112.86 3h3v n GLY 119 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3h3v n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3v n GLY 120 N 0.00 0.00 3.70 -0.02 0.00 -1.26 -5.12 105.19 102.49 3h3v n GLY 120 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3h3v n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3v s LEU 121 N 0.00 4.10 0.00 0.99 1.43 0.62 -5.09 118.68 120.73 3h3v s LEU 121 Ca 0.00 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3h3v s LEU 121 Cb 0.00 -2.06 0.12 0.00 0.03 0.00 0.00 46.19 44.29 3h3v s LEU 121 CO 0.00 0.17 0.82 0.18 0.23 0.00 0.00 176.35 177.75 3h3v n LEU 122 N 3.58 0.00 -3.63 1.79 4.77 -1.26 0.23 117.00 122.49 3h3v n LEU 122 Ca -0.16 -1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 54.30 3h3v n LEU 122 Cb 0.52 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3h3v n LEU 122 CO 0.36 -0.96 1.01 -0.32 -1.33 0.00 0.00 177.39 176.16 3h3v s MET 123 N -4.63 0.25 -0.06 3.23 -2.45 0.10 -2.58 119.30 113.16 3h3v s MET 123 Ca 0.52 0.13 -0.01 0.00 -1.25 0.00 0.00 55.69 55.08 3h3v s MET 123 Cb -0.02 0.12 0.03 0.00 1.25 0.00 0.00 34.83 36.20 3h3v s MET 123 CO 0.35 -0.06 0.00 0.50 1.05 0.00 0.00 175.02 176.85 3h3v s ARG 124 N -0.64 0.57 0.20 4.11 3.52 0.30 -0.42 118.95 126.58 3h3v s ARG 124 Ca 0.05 0.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.84 3h3v s ARG 124 Cb -0.02 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.43 3h3v s ARG 124 CO -0.07 -0.27 -0.06 -1.17 -0.81 0.00 0.00 175.30 172.92 3h3v s LEU 125 N 1.80 3.08 -0.03 -0.88 2.96 -0.61 -1.54 118.68 123.47 3h3v s LEU 125 Ca 0.02 -0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 53.17 3h3v s LEU 125 Cb -0.13 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3h3v s LEU 125 CO -0.04 0.08 0.44 -0.70 -1.32 0.00 0.00 176.35 174.80 3h3v s GLU 126 N -3.02 0.80 0.00 1.98 2.12 -1.11 -2.30 118.70 117.17 3h3v s GLU 126 Ca 0.27 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.57 3h3v s GLU 126 Cb -0.08 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.67 3h3v s GLU 126 CO 0.17 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 3h3v n GLY 127 N 1.18 -0.67 0.00 -1.50 0.00 -1.09 -3.63 105.19 99.49 3h3v n GLY 127 Ca -0.21 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h3v n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h3v n ASN 128 N 0.00 0.00 0.00 1.61 2.85 -1.26 -3.65 115.26 114.80 3h3v n ASN 128 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3h3v n ASN 128 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3h3v n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h3v n TYR 129 N 0.00 0.00 -2.40 1.20 0.18 -1.26 -4.84 117.16 110.04 3h3v n TYR 129 Ca 0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.41 3h3v n TYR 129 Cb 0.00 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 3h3v n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3h3v n ARG 130 N 0.00 3.99 -0.23 -3.48 3.00 -1.26 -4.71 116.66 113.97 3h3v n ARG 130 Ca 0.00 -4.26 -0.07 0.00 -0.01 0.00 0.00 57.85 53.51 3h3v n ARG 130 Cb 0.49 -2.35 0.06 0.00 0.00 0.00 0.00 32.46 30.66 3h3v n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3h3v h ASN 131 N 3.44 1.04 -0.09 0.55 2.35 -1.93 -2.86 115.58 118.10 3h3v h ASN 131 Ca 0.48 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3h3v h ASN 131 Cb 0.30 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3h3v h ASN 131 CO 1.20 1.03 0.00 0.18 -1.65 0.00 0.00 177.43 178.19 3h3v n LEU 132 N -4.21 1.98 0.00 1.61 4.77 -1.26 -4.86 117.00 115.03 3h3v n LEU 132 Ca 0.04 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3h3v n LEU 132 Cb 0.29 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h3v n LEU 132 CO 0.43 0.48 0.00 0.59 -1.33 0.00 0.00 177.39 177.56 3h3v n ASN 133 N 0.04 0.00 -4.56 -1.43 3.02 -1.16 -4.86 115.26 106.31 3h3v n ASN 133 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 3h3v n ASN 133 Cb 0.24 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.30 3h3v n ASN 133 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3h3v n ASN 134 N -1.44 1.50 -4.70 6.41 2.85 -1.09 -4.93 115.26 113.87 3h3v n ASN 134 Ca 0.00 -1.80 -0.31 0.00 -0.11 0.00 0.00 54.58 52.36 3h3v n ASN 134 Cb 0.00 -1.64 0.15 0.00 1.24 0.00 0.00 39.78 39.52 3h3v n ASN 134 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3h3v s LEU 135 N 15.16 2.78 -0.07 1.20 1.43 -1.26 -4.94 118.68 132.99 3h3v s LEU 135 Ca 0.89 2.01 0.18 0.00 -1.03 0.00 0.00 54.13 56.18 3h3v s LEU 135 Cb -0.12 -4.47 0.64 0.00 0.03 0.00 0.00 46.19 42.26 3h3v s LEU 135 CO 0.13 -2.80 1.53 0.29 0.23 0.00 0.00 176.35 175.74 3h3v n LYS 136 N -4.02 3.15 -1.06 1.70 5.02 -1.26 -4.98 118.16 116.71 3h3v n LYS 136 Ca 0.10 -2.54 -0.29 0.00 -2.02 0.00 0.00 58.31 53.57 3h3v n LYS 136 Cb 0.53 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 34.00 3h3v n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h3v s GLN 137 N -1.56 0.14 0.01 1.97 -0.21 -1.26 -4.88 119.66 113.87 3h3v s GLN 137 Ca 0.46 0.56 -0.21 0.00 0.02 0.00 0.00 55.36 56.19 3h3v s GLN 137 Cb 0.28 -1.70 -0.12 0.00 1.00 0.00 0.00 33.01 32.47 3h3v s GLN 137 CO 0.25 -2.94 0.98 1.49 -2.12 0.00 0.00 175.29 172.96 3h3v h GLU 138 N -2.04 -0.73 -6.06 2.91 4.81 -1.90 -3.38 114.58 108.19 3h3v h GLU 138 Ca -0.56 0.05 -0.54 0.00 -0.13 0.00 0.00 59.36 58.18 3h3v h GLU 138 Cb 1.33 0.17 0.24 0.00 0.63 0.00 0.00 28.75 31.12 3h3v h GLU 138 CO 0.56 -0.49 -1.82 0.09 -0.73 0.00 0.00 179.01 176.63 3h3v n ASN 139 N -4.80 -5.58 0.00 1.04 3.02 -1.26 -3.81 115.26 103.87 3h3v n ASN 139 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3h3v n ASN 139 Cb 0.30 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3h3v n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3v n ALA 140 N -2.65 0.00 -2.42 5.41 0.00 -1.26 -4.81 120.51 114.78 3h3v n ALA 140 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 3h3v n ALA 140 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 3h3v n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h3v s TYR 141 N 0.00 3.75 0.28 0.00 1.51 -0.09 -3.80 117.35 119.01 3h3v s TYR 141 Ca 0.00 1.72 -0.06 0.00 -1.01 0.00 0.00 57.07 57.72 3h3v s TYR 141 Cb 0.00 -3.04 -0.06 0.00 -0.11 0.00 0.00 41.96 38.75 3h3v s TYR 141 CO 0.00 0.15 0.56 -1.17 -1.11 0.00 0.00 175.55 173.98 3h3v s LEU 142 N 0.32 4.07 -0.06 -1.29 2.96 0.05 -3.87 118.68 120.85 3h3v s LEU 142 Ca 0.47 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 55.10 3h3v s LEU 142 Cb -0.22 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.89 3h3v s LEU 142 CO 0.28 -0.18 0.17 -0.76 -1.32 0.00 0.00 176.35 174.54 3h3v s LEU 143 N -3.41 1.38 -0.06 -0.68 1.02 -0.86 -2.45 118.68 113.61 3h3v s LEU 143 Ca 0.45 0.29 -0.04 0.00 0.02 0.00 0.00 54.13 54.85 3h3v s LEU 143 Cb -0.11 0.58 0.02 0.00 0.02 0.00 0.00 46.19 46.71 3h3v s LEU 143 CO 0.28 -0.08 0.14 -0.63 0.02 0.00 0.00 176.35 176.08 3h3v s ILE 144 N -0.04 -0.02 0.08 -0.59 1.01 -0.05 -1.34 121.20 120.26 3h3v s ILE 144 Ca -0.01 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3h3v s ILE 144 Cb -0.02 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 3h3v s ILE 144 CO 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 174.94 174.92 3h3v s ARG 145 N 0.46 0.76 0.00 2.79 1.70 -1.20 0.16 118.95 123.61 3h3v s ARG 145 Ca -0.03 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 3h3v s ARG 145 Cb -0.05 -0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 3h3v s ARG 145 CO -0.02 -0.06 0.00 0.54 -1.08 0.00 0.00 175.30 174.68