#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1us8 s LYS 2 N 0.00 0.55 0.15 3.17 1.02 -0.38 -4.99 119.74 119.27 1us8 s LYS 2 Ca 0.00 0.65 -0.15 0.00 0.02 0.00 0.00 55.97 56.49 1us8 s LYS 2 Cb 0.00 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1us8 s LYS 2 CO 0.00 -0.07 0.58 -0.51 -0.92 0.00 0.00 175.35 174.43 1us8 s LEU 3 N 0.24 4.35 -0.08 3.17 1.43 -1.26 0.62 118.68 127.15 1us8 s LEU 3 Ca -0.00 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1us8 s LEU 3 Cb -0.03 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1us8 s LEU 3 CO 0.01 0.10 -0.10 -0.62 0.23 0.00 0.00 176.35 175.97 1us8 n GLU 4 N 0.83 0.19 -3.57 1.70 1.02 -0.08 -4.53 120.64 116.20 1us8 n GLU 4 Ca -0.05 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1us8 n GLU 4 Cb 0.52 -0.95 -0.06 0.00 -0.02 0.00 0.00 31.44 30.93 1us8 n GLU 4 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1us8 s ARG 5 N -2.16 0.78 -0.00 3.49 3.52 -1.01 -0.82 118.95 122.75 1us8 s ARG 5 Ca -0.12 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1us8 s ARG 5 Cb 0.04 0.37 -0.00 0.00 -1.56 0.00 0.00 34.95 33.80 1us8 s ARG 5 CO 0.17 -0.22 -0.03 0.54 -0.81 0.00 0.00 175.30 174.95 1us8 s VAL 6 N -0.87 0.24 -0.09 7.11 0.11 -0.43 -0.60 120.40 125.87 1us8 s VAL 6 Ca -0.05 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1us8 s VAL 6 Cb -0.01 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1us8 s VAL 6 CO 0.04 0.07 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.79 1us8 s THR 7 N 0.01 1.81 -0.07 5.04 2.01 0.29 -0.98 115.64 123.76 1us8 s THR 7 Ca 0.00 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1us8 s THR 7 Cb -0.02 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1us8 s THR 7 CO -0.00 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.65 1us8 s VAL 8 N 0.43 0.97 -0.04 3.82 1.01 0.13 -1.30 120.40 125.42 1us8 s VAL 8 Ca -0.18 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1us8 s VAL 8 Cb -0.17 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1us8 s VAL 8 CO 0.07 0.33 -0.10 -0.54 0.00 0.00 0.00 175.10 174.86 1us8 s LYS 9 N 0.99 1.21 -1.23 2.72 1.02 -0.10 0.23 119.74 124.58 1us8 s LYS 9 Ca -0.09 -0.33 -0.08 0.00 0.02 0.00 0.00 55.97 55.49 1us8 s LYS 9 Cb -0.15 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1us8 s LYS 9 CO 0.00 0.07 0.72 0.09 -0.92 0.00 0.00 175.35 175.31 1us8 n ASN 10 N 3.54 -3.18 -3.70 2.83 3.02 0.23 -1.46 115.26 116.55 1us8 n ASN 10 Ca -0.21 -0.91 -0.27 0.00 -0.03 0.00 0.00 54.58 53.16 1us8 n ASN 10 Cb 0.53 -3.79 -0.16 0.00 -0.61 0.00 0.00 39.78 35.74 1us8 n ASN 10 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1us8 s PHE 11 N -3.61 0.83 0.00 3.10 5.36 -0.47 -4.23 117.98 118.96 1us8 s PHE 11 Ca 0.23 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1us8 s PHE 11 Cb -0.07 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1us8 s PHE 11 CO 0.83 -0.60 0.00 0.54 -1.46 0.00 0.00 175.22 174.53 1us8 n ARG 12 N 5.10 0.00 -0.02 10.12 5.12 -1.26 -1.21 116.66 134.52 1us8 n ARG 12 Ca -0.08 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1us8 n ARG 12 Cb 0.47 0.00 0.61 0.00 -1.16 0.00 0.00 32.46 32.38 1us8 n ARG 12 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1us8 n SER 13 N 6.28 0.86 -4.63 0.55 3.41 -1.26 -4.82 113.62 114.01 1us8 n SER 13 Ca 0.00 -1.40 -0.40 0.00 -0.26 0.00 0.00 58.87 56.80 1us8 n SER 13 Cb 0.00 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1us8 n SER 13 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1us8 s HIS 14 N -1.95 3.29 -0.23 7.33 3.76 -0.35 -4.92 115.29 122.22 1us8 s HIS 14 Ca 0.37 0.82 -0.06 0.00 -0.15 0.00 0.00 55.06 56.05 1us8 s HIS 14 Cb 0.19 -2.83 -0.18 0.00 1.11 0.00 0.00 32.58 30.87 1us8 s HIS 14 CO 0.30 -0.31 -0.11 -1.13 -0.85 0.00 0.00 174.74 172.64 1us8 n SER 15 N 5.63 1.99 -2.94 1.40 3.41 -1.26 -0.60 113.62 121.25 1us8 n SER 15 Ca -0.01 0.10 -0.03 0.00 -0.26 0.00 0.00 58.87 58.67 1us8 n SER 15 Cb 0.49 -0.65 -0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1us8 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1us8 s ASP 16 N -6.90 -1.39 -0.12 4.04 2.15 -1.24 -2.33 116.67 110.89 1us8 s ASP 16 Ca -0.33 -1.42 -0.03 0.00 0.43 0.00 0.00 52.55 51.20 1us8 s ASP 16 Cb 0.10 1.86 -0.03 0.00 -0.30 0.00 0.00 42.92 44.55 1us8 s ASP 16 CO 0.60 -0.10 -0.01 -0.89 -0.17 0.00 0.00 175.17 174.61 1us8 s THR 17 N 1.21 4.21 -0.08 1.71 2.01 0.14 -4.95 115.64 119.89 1us8 s THR 17 Ca 0.25 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1us8 s THR 17 Cb -0.02 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1us8 s THR 17 CO -0.06 0.55 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 1us8 s VAL 18 N -0.36 0.88 -0.07 3.82 1.01 -1.26 0.17 120.40 124.60 1us8 s VAL 18 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1us8 s VAL 18 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1us8 s VAL 18 CO 0.02 0.32 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1us8 s VAL 19 N 1.22 1.01 -0.05 2.92 1.01 -0.15 -4.99 120.40 121.37 1us8 s VAL 19 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1us8 s VAL 19 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1us8 s VAL 19 CO -0.02 0.33 0.14 -0.70 0.00 0.00 0.00 175.10 174.86 1us8 s GLU 20 N 0.81 3.36 -0.04 2.72 2.12 -1.26 -1.31 118.70 125.10 1us8 s GLU 20 Ca -0.12 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 54.98 1us8 s GLU 20 Cb -0.15 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1us8 s GLU 20 CO 0.02 0.71 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.18 1us8 s PHE 21 N -1.19 2.50 0.12 5.30 0.08 -0.00 -4.97 117.98 119.82 1us8 s PHE 21 Ca 0.22 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1us8 s PHE 21 Cb -0.12 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.75 1us8 s PHE 21 CO 0.12 -0.00 0.01 1.63 -0.10 0.00 0.00 175.22 176.88 1us8 n LYS 22 N 2.53 1.48 -1.75 0.44 5.02 -1.26 -4.57 118.16 120.05 1us8 n LYS 22 Ca -0.17 -0.87 -0.32 0.00 -2.02 0.00 0.00 58.31 54.93 1us8 n LYS 22 Cb 0.52 0.29 0.04 0.00 -0.02 0.00 0.00 35.03 35.86 1us8 n LYS 22 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1us8 s GLU 23 N -2.42 2.95 2.17 1.97 0.41 -1.26 -4.82 118.70 117.70 1us8 s GLU 23 Ca 0.01 1.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 1us8 s GLU 23 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 1us8 s GLU 23 CO 0.01 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.08 1us8 n GLY 24 N -1.16 -1.28 3.62 -1.39 0.00 -1.26 -4.78 105.19 98.94 1us8 n GLY 24 Ca 0.09 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1us8 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1us8 s ILE 25 N 0.00 4.66 -0.40 -0.61 1.01 -1.26 -5.01 121.20 119.59 1us8 s ILE 25 Ca 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 61.84 1us8 s ILE 25 Cb 0.00 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.23 1us8 s ILE 25 CO 0.00 -0.39 0.26 0.20 0.00 0.00 0.00 174.94 175.00 1us8 s ASN 26 N 1.70 5.91 -0.23 3.58 0.01 -1.26 -5.06 114.94 119.59 1us8 s ASN 26 Ca 0.37 -0.99 -0.10 0.00 -0.71 0.00 0.00 52.86 51.43 1us8 s ASN 26 Cb -0.13 -2.09 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1us8 s ASN 26 CO 0.15 -0.43 0.15 -0.22 -1.51 0.00 0.00 177.10 175.24 1us8 s LEU 27 N 1.61 4.13 -0.35 0.60 2.96 -1.26 -5.06 118.68 121.32 1us8 s LEU 27 Ca 0.03 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1us8 s LEU 27 Cb -0.19 -2.10 0.07 0.00 0.50 0.00 0.00 46.19 44.46 1us8 s LEU 27 CO 0.08 0.10 0.10 -0.63 -1.32 0.00 0.00 176.35 174.68 1us8 s ILE 28 N 0.85 3.33 -0.06 6.68 1.01 -1.26 -5.09 121.20 126.66 1us8 s ILE 28 Ca 0.08 -1.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 1us8 s ILE 28 Cb -0.13 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1us8 s ILE 28 CO 0.03 -0.31 0.31 -0.63 0.00 0.00 0.00 174.94 174.33 1us8 s ILE 29 N 1.27 5.22 -0.22 2.92 1.01 -1.26 -5.07 121.20 125.06 1us8 s ILE 29 Ca -0.00 0.60 -0.33 0.00 0.00 0.00 0.00 60.65 60.92 1us8 s ILE 29 Cb -0.21 -3.60 0.15 0.00 0.01 0.00 0.00 42.46 38.82 1us8 s ILE 29 CO -0.01 0.57 1.24 -0.83 0.00 0.00 0.00 174.94 175.92 1us8 s GLY 30 N -0.88 -0.17 0.62 6.18 0.00 -1.26 -5.00 107.32 106.80 1us8 s GLY 30 Ca 0.20 2.03 0.03 0.00 0.00 0.00 0.00 44.72 46.98 1us8 s GLY 30 CO 0.09 0.76 0.85 1.20 0.00 0.00 0.00 173.10 176.01 1us8 s GLN 31 N -1.84 2.14 0.30 2.90 -1.52 -1.26 -4.97 119.66 115.41 1us8 s GLN 31 Ca 0.08 -1.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.01 1us8 s GLN 31 Cb -0.01 -2.49 -0.12 0.00 -0.22 0.00 0.00 33.01 30.17 1us8 s GLN 31 CO -0.05 -1.02 1.49 0.09 -0.25 0.00 0.00 175.29 175.55 1us8 n ASN 32 N -2.48 3.43 0.00 5.90 3.02 -1.26 -1.56 115.26 122.31 1us8 n ASN 32 Ca 0.13 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 1us8 n ASN 32 Cb 0.60 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1us8 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1us8 n GLY 33 N 1.71 0.38 0.14 7.41 0.00 -1.26 -4.87 105.19 108.70 1us8 n GLY 33 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1us8 n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1us8 h SER 34 N 0.00 0.00 0.00 1.61 4.64 -1.66 -3.47 113.55 114.66 1us8 h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1us8 h SER 34 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1us8 h SER 34 CO 0.00 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 1us8 n GLY 35 N 0.64 0.95 0.35 -0.77 0.00 -1.26 -4.98 105.19 100.12 1us8 n GLY 35 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1us8 n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1us8 h LYS 36 N 1.34 1.08 -0.16 1.61 2.10 -1.91 -1.40 116.57 119.24 1us8 h LYS 36 Ca 0.00 -0.10 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 1us8 h LYS 36 Cb 0.00 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 31.11 1us8 h LYS 36 CO 0.00 0.77 -0.24 1.03 -2.00 0.00 0.00 179.45 179.01 1us8 h SER 37 N 1.09 0.48 0.62 7.07 0.87 -1.93 -3.08 113.55 118.67 1us8 h SER 37 Ca 0.28 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1us8 h SER 37 Cb -0.02 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1us8 h SER 37 CO -0.05 0.91 -0.12 0.77 -0.53 0.00 0.00 176.83 177.81 1us8 h SER 38 N 0.06 0.00 -0.40 6.23 4.64 -1.94 -2.40 113.55 119.74 1us8 h SER 38 Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1us8 h SER 38 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1us8 h SER 38 CO 0.05 0.12 -0.01 0.25 -0.87 0.00 0.00 176.83 176.37 1us8 h LEU 39 N 0.00 0.69 -0.95 5.97 5.85 -1.17 0.55 115.31 126.25 1us8 h LEU 39 Ca -0.00 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 1us8 h LEU 39 Cb 0.46 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1us8 h LEU 39 CO 0.02 0.84 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.58 1us8 h LEU 40 N 0.53 0.39 -0.64 2.25 4.07 -1.44 -2.04 115.31 118.43 1us8 h LEU 40 Ca 0.11 -0.14 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1us8 h LEU 40 Cb 0.49 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1us8 h LEU 40 CO 0.02 0.69 -0.03 0.44 -1.08 0.00 0.00 178.44 178.48 1us8 h ASP 41 N 0.34 1.01 -0.60 -0.43 3.32 -1.06 -1.67 116.42 117.32 1us8 h ASP 41 Ca 0.04 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1us8 h ASP 41 Cb 0.71 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1us8 h ASP 41 CO 0.05 1.08 0.27 0.00 -1.72 0.00 0.00 179.24 178.93 1us8 h ALA 42 N 1.02 1.29 -0.48 3.45 0.00 -0.52 0.42 119.26 124.43 1us8 h ALA 42 Ca 0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1us8 h ALA 42 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1us8 h ALA 42 CO 0.04 0.54 0.04 0.82 0.00 0.00 0.00 179.25 180.68 1us8 h ILE 43 N 0.90 1.26 -0.80 0.00 2.04 -0.96 0.28 117.51 120.23 1us8 h ILE 43 Ca 0.22 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1us8 h ILE 43 Cb 0.15 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1us8 h ILE 43 CO -0.02 0.35 0.33 -0.07 0.00 0.00 0.00 178.15 178.73 1us8 h LEU 44 N 0.69 1.09 -0.26 1.44 3.38 -0.74 -0.02 115.31 120.89 1us8 h LEU 44 Ca 0.14 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1us8 h LEU 44 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1us8 h LEU 44 CO 0.02 0.96 -0.02 0.58 0.09 0.00 0.00 178.44 180.07 1us8 h VAL 45 N 1.16 1.27 -0.56 1.22 2.07 -0.69 0.99 116.25 121.71 1us8 h VAL 45 Ca 0.27 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1us8 h VAL 45 Cb 0.20 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1us8 h VAL 45 CO -0.02 0.30 0.25 1.23 0.02 0.00 0.00 177.57 179.35 1us8 h GLY 46 N 0.24 0.78 0.30 2.17 0.00 0.03 -1.12 103.07 105.47 1us8 h GLY 46 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1us8 h GLY 46 CO 0.02 0.06 -0.18 1.41 0.00 0.00 0.00 176.54 177.85 1us8 h LEU 47 N 0.47 0.13 -3.15 3.11 3.38 -0.93 -3.41 115.31 114.92 1us8 h LEU 47 Ca 0.26 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1us8 h LEU 47 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1us8 h LEU 47 CO -0.22 0.98 0.00 -1.22 0.09 0.00 0.00 178.44 178.07 1us8 n TYR 48 N -4.55 0.68 -1.79 1.13 4.01 0.33 -4.95 117.16 112.03 1us8 n TYR 48 Ca -0.10 -0.82 -0.40 0.00 -0.16 0.00 0.00 57.90 56.42 1us8 n TYR 48 Cb 0.50 -0.23 0.02 0.00 -0.31 0.00 0.00 39.34 39.32 1us8 n TYR 48 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1us8 s TRP 49 N -2.46 2.44 0.13 -0.72 -0.11 -0.43 -4.01 118.94 113.79 1us8 s TRP 49 Ca 0.36 1.26 -0.25 0.00 1.22 0.00 0.00 56.10 58.69 1us8 s TRP 49 Cb 0.28 -3.93 -0.07 0.00 -1.50 0.00 0.00 33.47 28.25 1us8 s TRP 49 CO 0.09 -2.98 0.76 -1.25 -4.62 0.00 0.00 176.95 168.95 1us8 s PRO 50 N -2.47 4.53 0.14 5.86 0.04 -1.26 -4.58 135.00 137.25 1us8 s PRO 50 Ca 0.61 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1us8 s PRO 50 Cb -0.44 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1us8 s PRO 50 CO 0.56 0.51 0.75 -0.48 0.04 0.00 0.00 177.00 178.38 1us8 s LEU 51 N -0.88 -0.40 -0.29 -3.56 2.34 -1.26 -5.14 118.68 109.48 1us8 s LEU 51 Ca 0.36 -0.17 -0.07 0.00 0.06 0.00 0.00 54.13 54.30 1us8 s LEU 51 Cb -0.22 2.40 0.00 0.00 -0.56 0.00 0.00 46.19 47.81 1us8 s LEU 51 CO 0.25 -0.94 0.09 -0.13 -1.06 0.00 0.00 176.35 174.57 1us8 s ARG 52 N -3.54 3.21 0.00 1.48 1.81 -1.26 -5.08 118.95 115.56 1us8 s ARG 52 Ca 0.06 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1us8 s ARG 52 Cb -0.02 -3.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.07 1us8 s ARG 52 CO -0.06 -0.41 0.00 1.51 -0.68 0.00 0.00 175.30 175.66 1us8 n ILE 53 N 4.90 0.00 -1.44 1.52 3.06 -1.26 -5.20 119.36 120.93 1us8 n ILE 53 Ca -0.15 0.00 -0.50 0.00 -2.50 0.00 0.00 62.75 59.61 1us8 n ILE 53 Cb 0.49 -0.16 -0.07 0.00 0.54 0.00 0.00 39.64 40.43 1us8 n ILE 53 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1us8 n ASP 68 N -2.40 1.99 -4.72 9.51 9.92 -1.26 -5.13 116.55 124.45 1us8 n ASP 68 Ca 0.00 0.37 -0.40 0.00 -0.53 0.00 0.00 54.79 54.22 1us8 n ASP 68 Cb 0.00 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.19 1us8 n ASP 68 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1us8 s THR 69 N 7.58 4.89 -0.05 -3.53 2.01 -0.80 -4.56 115.64 121.18 1us8 s THR 69 Ca 1.11 1.70 0.02 0.00 0.31 0.00 0.00 61.69 64.82 1us8 s THR 69 Cb -0.87 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 67.50 1us8 s THR 69 CO 0.49 0.26 -0.09 -0.47 -0.69 0.00 0.00 174.62 174.11 1us8 s TYR 70 N 0.61 1.07 -0.06 4.92 5.04 -0.53 -0.32 117.35 128.07 1us8 s TYR 70 Ca 0.42 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1us8 s TYR 70 Cb -0.20 -0.82 0.03 0.00 0.35 0.00 0.00 41.96 41.32 1us8 s TYR 70 CO 0.23 -0.19 -0.02 0.42 -1.34 0.00 0.00 175.55 174.65 1us8 s ILE 71 N 0.57 0.47 -0.12 3.14 1.01 0.05 -0.92 121.20 125.40 1us8 s ILE 71 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1us8 s ILE 71 Cb -0.13 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1us8 s ILE 71 CO 0.02 0.25 -0.10 -0.62 0.00 0.00 0.00 174.94 174.48 1us8 s ASP 72 N 1.46 2.35 -0.07 3.58 2.15 -0.42 -0.29 116.67 125.44 1us8 s ASP 72 Ca -0.03 -0.37 0.03 0.00 0.43 0.00 0.00 52.55 52.62 1us8 s ASP 72 Cb -0.13 -0.96 0.01 0.00 -0.30 0.00 0.00 42.92 41.53 1us8 s ASP 72 CO -0.03 -0.09 -0.16 -0.22 -0.17 0.00 0.00 175.17 174.49 1us8 s LEU 73 N 1.60 1.81 -0.14 -1.34 2.96 0.27 -0.54 118.68 123.30 1us8 s LEU 73 Ca 0.04 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1us8 s LEU 73 Cb -0.13 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 1us8 s LEU 73 CO -0.09 0.09 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.26 1us8 s ILE 74 N 0.47 2.89 0.17 6.68 1.01 0.23 -0.83 121.20 131.83 1us8 s ILE 74 Ca -0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1us8 s ILE 74 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1us8 s ILE 74 CO 0.05 0.52 0.12 0.72 0.00 0.00 0.00 174.94 176.35 1us8 s PHE 75 N 0.58 0.98 -0.05 3.97 -0.71 -0.43 -0.91 117.98 121.42 1us8 s PHE 75 Ca -0.08 -1.27 0.06 0.00 -1.04 0.00 0.00 56.93 54.59 1us8 s PHE 75 Cb -0.16 -0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 41.16 1us8 s PHE 75 CO 0.03 -0.61 -0.21 -2.00 -1.34 0.00 0.00 175.22 171.09 1us8 s GLU 76 N -4.10 2.43 -0.13 1.99 2.12 0.20 -0.21 118.70 120.99 1us8 s GLU 76 Ca 0.32 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 1us8 s GLU 76 Cb 0.07 -2.21 0.06 0.00 0.26 0.00 0.00 34.13 32.30 1us8 s GLU 76 CO 0.07 0.51 0.28 0.21 -0.54 0.00 0.00 175.26 175.79 1us8 s LYS 77 N -0.47 0.20 -1.62 4.30 2.36 -0.28 -1.25 119.74 122.99 1us8 s LYS 77 Ca 0.06 0.70 -0.16 0.00 -2.55 0.00 0.00 55.97 54.02 1us8 s LYS 77 Cb -0.12 -0.03 0.12 0.00 -1.05 0.00 0.00 37.83 36.75 1us8 s LYS 77 CO 0.01 -0.24 0.86 -0.25 1.55 0.00 0.00 175.35 177.28 1us8 n ASP 78 N 4.92 -3.81 0.00 1.43 10.43 -1.26 -0.74 116.55 127.53 1us8 n ASP 78 Ca -0.14 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.31 1us8 n ASP 78 Cb 0.51 -3.27 0.00 0.00 1.84 0.00 0.00 41.12 40.20 1us8 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1us8 n GLY 79 N -1.55 2.00 3.63 0.44 0.00 -1.26 -5.02 105.19 103.42 1us8 n GLY 79 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1us8 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1us8 s THR 80 N -3.13 4.35 -0.23 2.61 2.01 0.08 -5.09 115.64 116.24 1us8 s THR 80 Ca 0.00 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 1us8 s THR 80 Cb 0.00 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1us8 s THR 80 CO 0.00 0.54 0.53 -0.75 -0.69 0.00 0.00 174.62 174.25 1us8 s LYS 81 N -0.25 4.14 0.27 4.92 2.20 -1.26 -1.12 119.74 128.63 1us8 s LYS 81 Ca 0.06 0.39 0.09 0.00 -0.36 0.00 0.00 55.97 56.16 1us8 s LYS 81 Cb -0.12 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1us8 s LYS 81 CO 0.02 -0.25 0.01 0.71 -0.36 0.00 0.00 175.35 175.48 1us8 s TYR 82 N 1.97 2.72 -0.13 4.03 2.02 0.70 -0.54 117.35 128.12 1us8 s TYR 82 Ca 0.23 -0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1us8 s TYR 82 Cb -0.15 -1.21 0.06 0.00 -0.40 0.00 0.00 41.96 40.25 1us8 s TYR 82 CO 0.09 0.61 0.28 0.50 -1.57 0.00 0.00 175.55 175.46 1us8 s ARG 83 N -3.69 0.20 -0.11 -0.62 3.52 0.18 -1.31 118.95 117.12 1us8 s ARG 83 Ca 0.32 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.64 1us8 s ARG 83 Cb -0.06 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1us8 s ARG 83 CO 0.20 -0.23 -0.16 0.42 -0.81 0.00 0.00 175.30 174.72 1us8 s ILE 84 N 1.99 2.79 -0.09 4.11 1.01 -0.01 -0.32 121.20 130.68 1us8 s ILE 84 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1us8 s ILE 84 Cb -0.11 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1us8 s ILE 84 CO -0.09 0.54 -0.14 -0.89 0.00 0.00 0.00 174.94 174.36 1us8 s THR 85 N 0.21 1.31 -0.00 2.92 2.01 0.34 -0.57 115.64 121.86 1us8 s THR 85 Ca -0.10 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1us8 s THR 85 Cb -0.16 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1us8 s THR 85 CO 0.06 0.40 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.13 1us8 s ARG 86 N 0.84 1.03 -0.04 4.92 0.52 0.61 -1.27 118.95 125.54 1us8 s ARG 86 Ca -0.11 -0.49 -0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1us8 s ARG 86 Cb -0.15 -1.00 0.03 0.00 0.52 0.00 0.00 34.95 34.35 1us8 s ARG 86 CO 0.01 0.27 0.01 0.50 0.02 0.00 0.00 175.30 176.11 1us8 s ARG 87 N -0.39 0.36 -0.35 3.54 3.52 -0.04 -0.77 118.95 124.83 1us8 s ARG 87 Ca 0.05 0.12 -0.07 0.00 -0.13 0.00 0.00 55.73 55.70 1us8 s ARG 87 Cb -0.05 -0.65 0.05 0.00 -1.56 0.00 0.00 34.95 32.74 1us8 s ARG 87 CO -0.00 -0.21 0.13 -0.06 -0.81 0.00 0.00 175.30 174.35 1us8 s PHE 88 N 1.46 3.27 0.00 5.12 0.40 0.56 -0.18 117.98 128.61 1us8 s PHE 88 Ca -0.04 -1.45 0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1us8 s PHE 88 Cb -0.13 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.02 1us8 s PHE 88 CO -0.03 -0.75 0.00 1.28 0.70 0.00 0.00 175.22 176.43 1us8 n LEU 89 N 4.82 0.00 0.00 -0.37 4.77 -1.26 -1.91 117.00 123.05 1us8 n LEU 89 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1us8 n LEU 89 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1us8 n LEU 89 CO 0.32 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.18 1us8 n SER 94 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -4.85 113.62 113.72 1us8 n SER 94 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1us8 n SER 94 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1us8 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1us8 n GLY 95 N 5.00 0.19 3.15 0.23 0.00 -1.26 -5.08 105.19 107.43 1us8 n GLY 95 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1us8 n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1us8 s GLU 96 N -2.26 0.58 -0.04 1.61 -1.05 -1.26 -4.63 118.70 111.66 1us8 s GLU 96 Ca 0.00 -0.45 0.06 0.00 -0.15 0.00 0.00 54.97 54.43 1us8 s GLU 96 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1us8 s GLU 96 CO 0.00 -0.15 -0.23 0.42 0.95 0.00 0.00 175.26 176.25 1us8 s ILE 97 N -1.78 1.86 -0.04 1.83 -1.09 0.74 -4.98 121.20 117.74 1us8 s ILE 97 Ca -0.11 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.31 1us8 s ILE 97 Cb -0.05 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1us8 s ILE 97 CO 0.00 0.52 0.08 -1.00 -1.23 0.00 0.00 174.94 173.31 1us8 s HIS 98 N -0.31 -0.06 -0.04 3.97 3.76 -1.26 -0.86 115.29 120.48 1us8 s HIS 98 Ca 0.02 0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 55.16 1us8 s HIS 98 Cb -0.11 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.44 1us8 s HIS 98 CO 0.01 -0.12 0.13 0.00 -0.85 0.00 0.00 174.74 173.92 1us8 s ALA 99 N 1.02 -0.33 -0.09 -1.40 0.00 -0.40 -3.55 121.76 117.02 1us8 s ALA 99 Ca -0.08 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1us8 s ALA 99 Cb -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1us8 s ALA 99 CO -0.04 -0.09 -0.06 1.41 0.00 0.00 0.00 175.76 176.98 1us8 s MET 100 N -0.14 1.30 0.30 0.00 1.75 -1.26 -0.51 119.30 120.74 1us8 s MET 100 Ca -0.02 -0.19 0.04 0.00 -1.25 0.00 0.00 55.69 54.27 1us8 s MET 100 Cb -0.02 -1.36 -0.06 0.00 2.84 0.00 0.00 34.83 36.23 1us8 s MET 100 CO 0.00 -0.21 0.05 0.15 -0.65 0.00 0.00 175.02 174.35 1us8 s LYS 101 N 1.54 1.57 0.11 4.11 1.02 0.56 -1.27 119.74 127.37 1us8 s LYS 101 Ca 0.01 -1.85 0.09 0.00 0.02 0.00 0.00 55.97 54.24 1us8 s LYS 101 Cb -0.13 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1us8 s LYS 101 CO -0.05 -0.17 -0.23 -0.98 -0.92 0.00 0.00 175.35 173.00 1us8 s ARG 102 N -3.89 1.22 -0.03 1.68 1.70 0.02 -0.64 118.95 119.00 1us8 s ARG 102 Ca 0.35 -1.20 -0.24 0.00 -0.47 0.00 0.00 55.73 54.17 1us8 s ARG 102 Cb 0.08 -1.54 -0.04 0.00 -0.57 0.00 0.00 34.95 32.88 1us8 s ARG 102 CO 0.14 0.36 0.73 -1.17 -1.08 0.00 0.00 175.30 174.28 1us8 s LEU 103 N -1.90 4.36 -0.24 -1.89 2.96 0.30 -1.17 118.68 121.09 1us8 s LEU 103 Ca 0.09 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1us8 s LEU 103 Cb -0.10 -3.14 0.08 0.00 0.50 0.00 0.00 46.19 43.52 1us8 s LEU 103 CO 0.05 -0.09 0.06 -0.69 -1.32 0.00 0.00 176.35 174.36 1us8 s VAL 104 N 0.57 0.64 0.00 1.68 1.01 0.02 -4.70 120.40 119.62 1us8 s VAL 104 Ca 0.38 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1us8 s VAL 104 Cb -0.19 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1us8 s VAL 104 CO 0.20 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1us8 n GLY 105 N 4.98 1.01 0.13 4.51 0.00 -1.26 -1.81 105.19 112.75 1us8 n GLY 105 Ca -0.07 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1us8 n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1us8 n ASN 106 N 8.83 1.04 -4.31 1.61 4.05 -1.26 -5.05 115.26 120.16 1us8 n ASN 106 Ca 0.00 -1.02 -0.18 0.00 0.45 0.00 0.00 54.58 53.83 1us8 n ASN 106 Cb 0.00 0.28 -0.10 0.00 1.23 0.00 0.00 39.78 41.18 1us8 n ASN 106 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1us8 s GLU 107 N -0.64 1.23 -0.14 1.20 -1.05 -0.75 -5.13 118.70 113.42 1us8 s GLU 107 Ca 0.04 -1.48 -0.15 0.00 -0.15 0.00 0.00 54.97 53.24 1us8 s GLU 107 Cb 0.03 -1.06 -0.05 0.00 -0.44 0.00 0.00 34.13 32.62 1us8 s GLU 107 CO 0.08 0.18 0.33 -1.58 0.95 0.00 0.00 175.26 175.23 1us8 s TRP 108 N -2.70 3.49 0.00 4.83 0.52 -1.26 -0.80 118.94 123.02 1us8 s TRP 108 Ca 0.18 0.68 0.07 0.00 0.02 0.00 0.00 56.10 57.06 1us8 s TRP 108 Cb -0.02 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1us8 s TRP 108 CO 0.05 0.27 -0.23 0.15 0.02 0.00 0.00 176.95 177.21 1us8 s LYS 109 N 0.35 1.76 0.29 4.98 1.02 -0.32 -4.89 119.74 122.93 1us8 s LYS 109 Ca 0.19 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1us8 s LYS 109 Cb -0.14 -1.77 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 1us8 s LYS 109 CO 0.06 0.48 1.46 0.72 -0.92 0.00 0.00 175.35 177.15 1us8 n HIS 110 N 2.27 2.53 0.02 3.18 8.25 -1.26 -0.80 115.22 129.40 1us8 n HIS 110 Ca -0.16 0.39 0.06 0.00 -0.26 0.00 0.00 57.72 57.75 1us8 n HIS 110 Cb 0.52 -2.51 -0.11 0.00 1.12 0.00 0.00 29.99 29.02 1us8 n HIS 110 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1us8 n VAL 111 N 1.55 0.63 -3.84 1.59 0.31 -0.39 -4.82 118.33 113.35 1us8 n VAL 111 Ca 0.08 -0.61 -0.09 0.00 -0.01 0.00 0.00 64.34 63.71 1us8 n VAL 111 Cb 0.35 -0.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1us8 n VAL 111 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1us8 s THR 112 N -3.20 0.00 0.27 2.52 -1.32 -1.26 -5.10 115.64 107.55 1us8 s THR 112 Ca -0.05 -1.06 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 1us8 s THR 112 Cb 0.11 -2.74 -0.13 0.00 -1.51 0.00 0.00 72.50 68.23 1us8 s THR 112 CO 0.85 0.00 1.47 1.21 -2.21 0.00 0.00 174.62 175.94 1us8 n GLU 113 N -0.52 2.31 -1.28 7.08 2.13 -1.26 -4.81 120.64 124.29 1us8 n GLU 113 Ca -0.07 0.82 -0.41 0.00 0.66 0.00 0.00 57.16 58.17 1us8 n GLU 113 Cb 0.60 -2.52 -0.04 0.00 0.27 0.00 0.00 31.44 29.75 1us8 n GLU 113 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1us8 n PRO 114 N 1.92 2.04 -4.09 5.31 -0.04 -1.26 -4.29 135.00 134.59 1us8 n PRO 114 Ca 0.10 -2.04 -0.10 0.00 -0.04 0.00 0.00 63.50 61.41 1us8 n PRO 114 Cb 0.34 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.72 1us8 n PRO 114 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1us8 s SER 115 N 4.20 0.78 0.13 3.54 1.04 -1.23 -4.50 113.70 117.67 1us8 s SER 115 Ca 0.53 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1us8 s SER 115 Cb 0.14 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1us8 s SER 115 CO 0.04 -0.38 1.74 -1.28 0.98 0.00 0.00 173.24 174.34 1us8 h SER 116 N 3.75 0.06 -0.35 7.02 0.87 -1.87 -1.67 113.55 121.35 1us8 h SER 116 Ca -0.35 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1us8 h SER 116 Cb 1.18 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1us8 h SER 116 CO 0.54 0.07 0.06 0.50 -0.53 0.00 0.00 176.83 177.46 1us8 h LYS 117 N 0.18 0.58 -0.38 2.24 3.64 -1.94 -1.24 116.57 119.64 1us8 h LYS 117 Ca 0.11 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1us8 h LYS 117 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1us8 h LYS 117 CO -0.12 0.65 0.14 0.00 -2.27 0.00 0.00 179.45 177.85 1us8 h ALA 118 N 0.90 0.50 -0.61 5.00 0.00 -1.81 -1.40 119.26 121.83 1us8 h ALA 118 Ca 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1us8 h ALA 118 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1us8 h ALA 118 CO 0.01 0.12 0.19 0.82 0.00 0.00 0.00 179.25 180.39 1us8 h ILE 119 N 0.47 1.24 -0.70 0.00 2.04 -1.28 -1.54 117.51 117.75 1us8 h ILE 119 Ca 0.13 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1us8 h ILE 119 Cb 0.22 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1us8 h ILE 119 CO -0.01 0.32 0.27 -1.28 0.00 0.00 0.00 178.15 177.45 1us8 h SER 120 N 0.88 0.95 -0.38 1.72 0.87 -1.05 -0.61 113.55 115.93 1us8 h SER 120 Ca 0.20 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 1us8 h SER 120 Cb 0.29 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1us8 h SER 120 CO -0.01 0.85 -0.31 0.00 -0.53 0.00 0.00 176.83 176.84 1us8 h ALA 121 N 1.28 0.68 -0.21 6.23 0.00 -1.05 -2.43 119.26 123.75 1us8 h ALA 121 Ca 0.23 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1us8 h ALA 121 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1us8 h ALA 121 CO -0.02 0.67 0.05 0.35 0.00 0.00 0.00 179.25 180.30 1us8 h PHE 122 N 0.76 0.36 -0.73 0.00 3.57 -0.81 -3.06 116.94 117.03 1us8 h PHE 122 Ca 0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1us8 h PHE 122 Cb 0.88 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1us8 h PHE 122 CO 0.05 0.46 0.43 0.52 -2.23 0.00 0.00 178.31 177.54 1us8 h MET 123 N 0.16 1.00 0.00 1.11 2.86 -1.08 0.64 114.93 119.62 1us8 h MET 123 Ca 0.07 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1us8 h MET 123 Cb 0.28 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1us8 h MET 123 CO 0.00 0.71 -0.06 0.93 1.06 0.00 0.00 176.91 179.55 1us8 h GLU 124 N 1.01 0.00 0.09 1.72 4.39 -1.36 0.34 114.58 120.77 1us8 h GLU 124 Ca 0.26 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.60 1us8 h GLU 124 Cb -0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1us8 h GLU 124 CO -0.05 0.06 -2.05 1.63 -1.16 0.00 0.00 179.01 177.44 1us8 n LYS 125 N -3.38 0.72 0.09 2.33 5.02 -0.57 -3.27 118.16 119.10 1us8 n LYS 125 Ca -0.02 0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1us8 n LYS 125 Cb 0.20 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 1us8 n LYS 125 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1us8 h LEU 126 N 0.05 -0.24 -6.43 -0.35 5.85 -0.56 -3.41 115.31 110.22 1us8 h LEU 126 Ca -0.43 -0.28 -0.56 0.00 0.84 0.00 0.00 57.88 57.44 1us8 h LEU 126 Cb 2.02 0.06 -0.37 0.00 0.37 0.00 0.00 40.66 42.74 1us8 h LEU 126 CO 0.06 0.24 -0.89 -0.63 -0.34 0.00 0.00 178.44 176.88 1us8 s ILE 127 N -3.83 0.16 0.18 4.05 1.01 0.12 -5.08 121.20 117.81 1us8 s ILE 127 Ca -0.13 -2.05 -0.32 0.00 0.00 0.00 0.00 60.65 58.15 1us8 s ILE 127 Cb 0.01 -1.11 -0.15 0.00 0.01 0.00 0.00 42.46 41.21 1us8 s ILE 127 CO 0.49 -1.05 1.17 -0.81 0.00 0.00 0.00 174.94 174.74 1us8 n PRO 128 N 3.51 1.21 -0.33 2.79 -0.04 -1.20 -4.52 135.00 136.43 1us8 n PRO 128 Ca 0.20 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1us8 n PRO 128 Cb 0.43 -1.93 0.32 0.00 -0.04 0.00 0.00 33.50 32.27 1us8 n PRO 128 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1us8 h TYR 129 N 3.36 0.87 -0.23 0.54 3.20 -1.84 0.16 116.97 123.03 1us8 h TYR 129 Ca -0.43 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 1us8 h TYR 129 Cb 1.34 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1us8 h TYR 129 CO 0.54 0.09 -0.18 -2.95 -1.64 0.00 0.00 178.16 174.01 1us8 h ASN 130 N 0.57 0.39 -0.45 -2.11 -1.07 -1.97 -1.36 115.58 109.57 1us8 h ASN 130 Ca 0.57 -0.11 -0.13 0.00 0.07 0.00 0.00 56.30 56.70 1us8 h ASN 130 Cb 1.00 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 37.13 1us8 h ASN 130 CO -0.45 0.59 -0.24 0.40 0.07 0.00 0.00 177.43 177.80 1us8 h ILE 131 N 0.37 1.27 -0.16 6.14 1.08 -1.34 -0.66 117.51 124.21 1us8 h ILE 131 Ca 0.06 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1us8 h ILE 131 Cb 0.54 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1us8 h ILE 131 CO 0.04 0.48 0.06 0.15 -0.69 0.00 0.00 178.15 178.19 1us8 h PHE 132 N 0.81 0.25 -0.00 1.37 3.57 -0.93 -0.02 116.94 121.99 1us8 h PHE 132 Ca 0.10 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 1us8 h PHE 132 Cb 0.82 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1us8 h PHE 132 CO 0.06 0.32 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.59 1us8 h LEU 133 N 0.10 0.09 0.00 0.59 3.38 -1.27 0.17 115.31 118.38 1us8 h LEU 133 Ca 0.05 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1us8 h LEU 133 Cb 0.18 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1us8 h LEU 133 CO -0.00 0.86 -1.23 0.78 0.09 0.00 0.00 178.44 178.93 1us8 h ASN 134 N 0.04 0.00 0.00 -0.43 2.35 -1.12 -3.39 115.58 113.04 1us8 h ASN 134 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1us8 h ASN 134 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1us8 h ASN 134 CO 0.11 0.55 -0.63 0.00 -1.65 0.00 0.00 177.43 175.82 1us8 n ALA 135 N -2.36 2.07 -0.03 -0.83 0.00 -0.03 -4.91 120.51 114.42 1us8 n ALA 135 Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1us8 n ALA 135 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 1us8 n ALA 135 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1us8 n ILE 136 N -1.32 0.51 -2.89 0.00 5.41 -0.63 -5.01 119.36 115.44 1us8 n ILE 136 Ca -0.00 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.27 1us8 n ILE 136 Cb 0.02 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 1us8 n ILE 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1us8 s TYR 137 N -2.15 3.08 -0.22 1.39 5.04 0.51 -5.03 117.35 119.97 1us8 s TYR 137 Ca -0.10 0.61 -0.07 0.00 -2.44 0.00 0.00 57.07 55.06 1us8 s TYR 137 Cb 0.04 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.76 1us8 s TYR 137 CO 0.13 -0.81 0.06 0.42 -1.34 0.00 0.00 175.55 174.01 1us8 s ILE 138 N 3.30 4.46 0.19 3.14 1.01 -1.26 -4.71 121.20 127.33 1us8 s ILE 138 Ca 0.34 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1us8 s ILE 138 Cb -0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1us8 s ILE 138 CO 0.19 0.39 -0.16 -0.13 0.00 0.00 0.00 174.94 175.22 1us8 s ARG 139 N 1.09 1.34 0.28 2.79 1.81 -1.26 -5.05 118.95 119.94 1us8 s ARG 139 Ca 0.04 -1.53 0.02 0.00 -1.72 0.00 0.00 55.73 52.54 1us8 s ARG 139 Cb -0.14 -1.27 0.62 0.00 -0.45 0.00 0.00 34.95 33.71 1us8 s ARG 139 CO 0.03 0.23 1.76 0.37 -0.68 0.00 0.00 175.30 177.01 1us8 h GLN 140 N 2.82 0.62 -0.93 3.54 4.15 -2.00 -1.76 115.11 121.56 1us8 h GLN 140 Ca -0.40 -0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.12 1us8 h GLN 140 Cb 1.22 -0.14 -0.08 0.00 0.21 0.00 0.00 27.48 28.69 1us8 h GLN 140 CO 0.57 0.41 0.59 0.78 -1.93 0.00 0.00 178.83 179.25 1us8 h GLY 141 N 0.64 1.35 0.99 2.39 0.00 -1.99 -0.17 103.07 106.28 1us8 h GLY 141 Ca 0.51 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1us8 h GLY 141 CO -0.39 0.10 -0.05 1.46 0.00 0.00 0.00 176.54 177.66 1us8 h GLN 142 N 0.78 0.81 -0.02 4.80 4.20 -1.74 -0.93 115.11 123.01 1us8 h GLN 142 Ca 0.47 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1us8 h GLN 142 Cb 0.67 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1us8 h GLN 142 CO -0.23 0.90 0.01 0.82 -0.67 0.00 0.00 178.83 179.65 1us8 h ILE 143 N 0.64 1.12 -0.73 2.54 1.08 -1.25 -0.96 117.51 119.95 1us8 h ILE 143 Ca 0.12 -0.35 0.10 0.00 -0.39 0.00 0.00 64.86 64.33 1us8 h ILE 143 Cb 0.56 1.33 -0.07 0.00 -3.07 0.00 0.00 36.82 35.57 1us8 h ILE 143 CO 0.03 0.09 0.36 0.44 -0.69 0.00 0.00 178.15 178.39 1us8 h ASP 144 N -0.12 0.46 -0.32 1.72 5.19 -0.99 -0.38 116.42 121.98 1us8 h ASP 144 Ca 0.01 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1us8 h ASP 144 Cb 0.15 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1us8 h ASP 144 CO -0.00 0.25 0.05 0.00 -3.12 0.00 0.00 179.24 176.43 1us8 h ALA 145 N 1.45 1.33 -0.01 3.45 0.00 -0.85 -3.03 119.26 121.60 1us8 h ALA 145 Ca 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1us8 h ALA 145 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1us8 h ALA 145 CO -0.28 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.25 1us8 h ILE 146 N 0.61 1.37 -0.00 0.00 1.08 0.24 -3.51 117.51 117.29 1us8 h ILE 146 Ca 0.13 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1us8 h ILE 146 Cb 0.30 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1us8 h ILE 146 CO 0.00 0.29 0.00 0.18 -0.69 0.00 0.00 178.15 177.93