#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2t s THR 2 N 0.00 2.81 -0.07 3.17 2.01 -1.26 -4.83 115.64 117.47 1p2t s THR 2 Ca 0.00 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.59 1p2t s THR 2 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1p2t s THR 2 CO 0.00 0.04 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.26 1p2t s GLU 3 N 1.21 2.77 -0.25 4.92 2.02 -1.26 -1.01 118.70 127.11 1p2t s GLU 3 Ca 0.69 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1p2t s GLU 3 Cb -0.42 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1p2t s GLU 3 CO 0.31 0.58 -0.09 0.71 0.02 0.00 0.00 175.26 176.78 1p2t s TYR 4 N -0.59 3.10 -0.59 1.61 2.02 -0.29 -4.95 117.35 117.65 1p2t s TYR 4 Ca 0.09 -1.82 -0.22 0.00 -0.37 0.00 0.00 57.07 54.74 1p2t s TYR 4 Cb -0.12 -2.01 0.06 0.00 -0.40 0.00 0.00 41.96 39.50 1p2t s TYR 4 CO 0.02 -0.79 0.87 0.15 -1.57 0.00 0.00 175.55 174.22 1p2t s LYS 5 N 1.25 3.17 -0.05 -0.62 1.02 -1.26 -1.36 119.74 121.88 1p2t s LYS 5 Ca -0.02 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 1p2t s LYS 5 Cb -0.17 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 1p2t s LYS 5 CO -0.06 -1.58 0.03 -0.51 -0.92 0.00 0.00 175.35 172.32 1p2t s LEU 6 N 3.62 3.72 -0.09 3.17 1.43 -0.37 -0.63 118.68 129.53 1p2t s LEU 6 Ca 0.22 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1p2t s LEU 6 Cb -0.17 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1p2t s LEU 6 CO 0.13 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.20 1p2t s VAL 7 N -1.01 1.40 -0.31 -1.59 1.01 -0.36 -0.85 120.40 118.69 1p2t s VAL 7 Ca 0.17 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1p2t s VAL 7 Cb -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1p2t s VAL 7 CO 0.07 0.42 0.25 -0.69 0.00 0.00 0.00 175.10 175.14 1p2t s VAL 8 N 0.76 5.27 0.22 2.92 1.01 -0.56 -1.05 120.40 128.97 1p2t s VAL 8 Ca -0.12 0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1p2t s VAL 8 Cb -0.16 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1p2t s VAL 8 CO 0.02 0.10 -0.13 0.68 0.00 0.00 0.00 175.10 175.77 1p2t s VAL 9 N 1.80 1.70 0.00 2.92 -7.23 -0.31 -3.17 120.40 116.11 1p2t s VAL 9 Ca 0.08 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1p2t s VAL 9 Cb -0.17 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1p2t s VAL 9 CO 0.11 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1p2t n GLY 10 N -0.41 2.76 3.65 2.32 0.00 -1.26 -1.07 105.19 111.18 1p2t n GLY 10 Ca -0.08 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1p2t n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2t n ALA 11 N -1.50 -0.54 -1.79 4.61 0.00 -1.26 -4.28 120.51 115.75 1p2t n ALA 11 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1p2t n ALA 11 Cb 0.00 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1p2t n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1p2t s GLY 12 N -2.26 2.50 -0.07 0.00 0.00 -1.25 -3.16 107.32 103.09 1p2t s GLY 12 Ca 0.70 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1p2t s GLY 12 CO 0.55 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.62 1p2t n GLY 13 N 1.48 0.47 0.12 0.20 0.00 -1.26 -4.92 105.19 101.27 1p2t n GLY 13 Ca 0.05 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1p2t n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1p2t h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.92 -3.48 116.25 110.96 1p2t h VAL 14 Ca -0.01 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1p2t h VAL 14 Cb 0.15 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1p2t h VAL 14 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1p2t n GLY 15 N 1.27 1.81 0.09 5.19 0.00 -1.26 -4.60 105.19 107.69 1p2t n GLY 15 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1p2t n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p2t h LYS 16 N 0.00 0.17 -0.53 1.61 1.57 -1.91 -1.70 116.57 115.79 1p2t h LYS 16 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1p2t h LYS 16 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1p2t h LYS 16 CO 0.00 0.21 -0.05 0.77 -0.57 0.00 0.00 179.45 179.81 1p2t h SER 17 N 0.09 0.96 -0.81 0.86 0.02 -1.95 -2.46 113.55 110.25 1p2t h SER 17 Ca 0.04 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1p2t h SER 17 Cb 0.09 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1p2t h SER 17 CO -0.01 1.06 0.45 0.00 -1.14 0.00 0.00 176.83 177.20 1p2t h ALA 18 N 0.93 1.26 -0.20 3.77 0.00 -1.88 -0.47 119.26 122.68 1p2t h ALA 18 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1p2t h ALA 18 Cb 0.60 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1p2t h ALA 18 CO 0.04 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1p2t h LEU 19 N 1.14 0.34 -0.18 0.00 3.38 -1.14 -2.08 115.31 116.77 1p2t h LEU 19 Ca 0.29 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1p2t h LEU 19 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1p2t h LEU 19 CO -0.05 0.55 0.09 0.74 0.09 0.00 0.00 178.44 179.86 1p2t h THR 20 N 0.11 1.12 -0.73 0.22 2.02 -1.16 -2.08 112.91 112.42 1p2t h THR 20 Ca 0.06 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1p2t h THR 20 Cb 0.37 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1p2t h THR 20 CO 0.01 0.11 0.37 0.40 0.37 0.00 0.00 175.52 176.79 1p2t h ILE 21 N 0.16 1.23 -0.30 3.11 2.04 -1.11 0.50 117.51 123.15 1p2t h ILE 21 Ca 0.06 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1p2t h ILE 21 Cb 0.10 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1p2t h ILE 21 CO -0.01 0.26 0.19 1.56 0.00 0.00 0.00 178.15 180.15 1p2t h GLN 22 N 1.03 0.37 -0.47 2.37 1.08 -1.16 0.86 115.11 119.19 1p2t h GLN 22 Ca 0.26 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1p2t h GLN 22 Cb 0.07 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1p2t h GLN 22 CO -0.04 0.24 0.24 1.25 -0.95 0.00 0.00 178.83 179.58 1p2t h LEU 23 N 0.38 0.61 0.00 1.46 5.85 -0.66 -0.23 115.31 122.72 1p2t h LEU 23 Ca 0.11 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1p2t h LEU 23 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1p2t h LEU 23 CO -0.04 0.55 -0.27 0.40 -0.34 0.00 0.00 178.44 178.74 1p2t h ILE 24 N 0.62 1.06 -0.03 4.05 1.08 -0.66 -3.40 117.51 120.23 1p2t h ILE 24 Ca 0.16 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1p2t h ILE 24 Cb 0.10 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1p2t h ILE 24 CO -0.02 0.36 -0.09 0.00 -0.69 0.00 0.00 178.15 177.70 1p2t n GLN 25 N -4.62 1.98 -3.66 2.37 6.02 0.29 -5.02 117.38 114.75 1p2t n GLN 25 Ca -0.11 -1.67 -0.29 0.00 -0.01 0.00 0.00 57.00 54.91 1p2t n GLN 25 Cb 0.39 -1.44 0.04 0.00 1.02 0.00 0.00 30.24 30.25 1p2t n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1p2t n ASN 26 N 1.01 -4.78 -3.59 1.08 2.85 -0.10 -4.95 115.26 106.78 1p2t n ASN 26 Ca 0.12 -0.97 -0.11 0.00 -0.11 0.00 0.00 54.58 53.51 1p2t n ASN 26 Cb 0.54 -3.60 -0.06 0.00 1.24 0.00 0.00 39.78 37.90 1p2t n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1p2t s HIS 27 N -3.51 -0.47 -0.35 1.20 -3.43 -1.26 -5.00 115.29 102.48 1p2t s HIS 27 Ca 0.40 0.93 -0.23 0.00 -0.80 0.00 0.00 55.06 55.37 1p2t s HIS 27 Cb -0.13 0.41 0.01 0.00 -1.43 0.00 0.00 32.58 31.43 1p2t s HIS 27 CO 0.85 -0.35 0.75 0.12 -2.00 0.00 0.00 174.74 174.10 1p2t s PHE 28 N -0.64 3.14 -0.33 0.38 5.36 -1.26 -3.76 117.98 120.87 1p2t s PHE 28 Ca -0.02 0.56 -0.25 0.00 -0.96 0.00 0.00 56.93 56.27 1p2t s PHE 28 Cb -0.02 -3.30 0.01 0.00 -0.34 0.00 0.00 43.02 39.37 1p2t s PHE 28 CO 0.01 -0.67 0.87 0.08 -1.46 0.00 0.00 175.22 174.04 1p2t s VAL 29 N 2.98 4.69 -0.71 3.12 1.01 -1.26 -4.97 120.40 125.26 1p2t s VAL 29 Ca 0.30 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.57 1p2t s VAL 29 Cb -0.14 -4.25 0.24 0.00 0.00 0.00 0.00 36.38 32.24 1p2t s VAL 29 CO 0.15 -0.38 0.79 -0.67 0.00 0.00 0.00 175.10 175.00 1p2t n ASP 30 N 6.48 3.98 -3.51 3.32 4.64 -1.26 -4.88 116.55 125.31 1p2t n ASP 30 Ca 0.06 -3.39 -0.15 0.00 -1.38 0.00 0.00 54.79 49.92 1p2t n ASP 30 Cb 0.48 -0.77 -0.05 0.00 -1.04 0.00 0.00 41.12 39.74 1p2t n ASP 30 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 1p2t s GLU 31 N -2.31 1.11 -0.39 -0.67 -1.05 -1.26 -5.12 118.70 109.01 1p2t s GLU 31 Ca 0.36 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.81 1p2t s GLU 31 Cb 0.10 0.52 0.01 0.00 -0.44 0.00 0.00 34.13 34.31 1p2t s GLU 31 CO -0.03 -0.40 1.39 -0.47 0.95 0.00 0.00 175.26 176.70 1p2t s TYR 32 N -2.24 2.45 -0.45 4.83 6.14 -1.26 -4.91 117.35 121.92 1p2t s TYR 32 Ca -0.06 0.70 0.07 0.00 0.64 0.00 0.00 57.07 58.42 1p2t s TYR 32 Cb -0.01 -4.24 0.23 0.00 0.42 0.00 0.00 41.96 38.36 1p2t s TYR 32 CO 0.00 -1.93 0.68 -3.47 0.64 0.00 0.00 175.55 171.47 1p2t n ASP 33 N 8.58 -1.66 -4.61 4.32 2.03 -1.26 -5.13 116.55 118.82 1p2t n ASP 33 Ca 0.16 -2.93 -0.49 0.00 0.52 0.00 0.00 54.79 52.05 1p2t n ASP 33 Cb 0.48 0.70 -0.04 0.00 -0.72 0.00 0.00 41.12 41.54 1p2t n ASP 33 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1p2t n PRO 34 N 1.90 1.39 -3.47 -0.67 -0.02 -1.26 -4.97 135.00 127.91 1p2t n PRO 34 Ca 0.17 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1p2t n PRO 34 Cb 0.57 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 1p2t n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1p2t s THR 35 N 0.13 4.97 -0.14 3.45 2.01 -1.26 -4.99 115.64 119.81 1p2t s THR 35 Ca 0.76 0.61 -0.14 0.00 0.31 0.00 0.00 61.69 63.24 1p2t s THR 35 Cb -0.83 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 67.94 1p2t s THR 35 CO 0.49 0.23 -0.28 -0.38 -0.69 0.00 0.00 174.62 173.99 1p2t n ILE 36 N 0.75 1.40 -3.20 1.82 5.41 -1.26 -4.23 119.36 120.05 1p2t n ILE 36 Ca -0.06 0.10 0.04 0.00 1.00 0.00 0.00 62.75 63.84 1p2t n ILE 36 Cb 0.52 -2.12 -0.03 0.00 -0.71 0.00 0.00 39.64 37.30 1p2t n ILE 36 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p2t s GLU 37 N -2.66 0.12 0.09 0.38 2.12 -1.26 -3.40 118.70 114.09 1p2t s GLU 37 Ca -0.24 0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.42 1p2t s GLU 37 Cb 0.05 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.56 1p2t s GLU 37 CO 0.35 -0.09 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.29 1p2t s ASP 38 N 2.59 2.22 -0.01 -1.70 1.01 -0.56 -5.00 116.67 115.21 1p2t s ASP 38 Ca -0.03 -0.65 0.05 0.00 0.71 0.00 0.00 52.55 52.63 1p2t s ASP 38 Cb -0.06 -0.11 -0.01 0.00 1.01 0.00 0.00 42.92 43.75 1p2t s ASP 38 CO -0.13 0.02 -0.15 -0.94 0.21 0.00 0.00 175.17 174.18 1p2t s SER 39 N -1.80 1.74 -0.07 0.27 1.04 -1.26 0.29 113.70 113.90 1p2t s SER 39 Ca 0.03 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1p2t s SER 39 Cb -0.10 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.83 1p2t s SER 39 CO 0.03 0.18 -0.15 -0.31 0.98 0.00 0.00 173.24 173.97 1p2t s TYR 40 N -0.34 1.73 -0.15 5.02 2.02 0.64 -4.98 117.35 121.29 1p2t s TYR 40 Ca 0.06 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1p2t s TYR 40 Cb -0.06 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1p2t s TYR 40 CO -0.01 -0.32 -0.14 1.03 -1.57 0.00 0.00 175.55 174.55 1p2t s ARG 41 N 0.60 3.28 -0.05 -0.62 0.52 -1.26 -0.06 118.95 121.36 1p2t s ARG 41 Ca -0.15 -0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1p2t s ARG 41 Cb -0.16 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 32.71 1p2t s ARG 41 CO 0.05 0.08 0.11 0.21 0.02 0.00 0.00 175.30 175.77 1p2t s LYS 42 N 0.66 0.07 -0.09 3.54 2.47 -0.53 -4.99 119.74 120.88 1p2t s LYS 42 Ca -0.07 0.29 -0.26 0.00 -1.56 0.00 0.00 55.97 54.36 1p2t s LYS 42 Cb -0.16 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.05 1p2t s LYS 42 CO 0.02 -0.13 0.85 -0.65 0.16 0.00 0.00 175.35 175.60 1p2t s GLN 43 N 0.92 4.42 0.18 4.03 -0.21 -1.26 -0.90 119.66 126.84 1p2t s GLN 43 Ca -0.07 1.13 -0.04 0.00 0.02 0.00 0.00 55.36 56.40 1p2t s GLN 43 Cb -0.10 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1p2t s GLN 43 CO -0.04 -0.14 0.18 0.14 -2.12 0.00 0.00 175.29 173.30 1p2t s VAL 44 N 1.45 0.04 -0.22 1.09 -7.23 0.10 -4.99 120.40 110.64 1p2t s VAL 44 Ca 0.43 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1p2t s VAL 44 Cb -0.18 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1p2t s VAL 44 CO 0.19 -0.16 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.97 1p2t s VAL 45 N -4.09 2.11 -0.21 1.32 1.01 -1.26 -0.92 120.40 118.36 1p2t s VAL 45 Ca 0.30 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1p2t s VAL 45 Cb 0.06 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1p2t s VAL 45 CO 0.07 0.23 -0.15 -0.63 0.00 0.00 0.00 175.10 174.62 1p2t s ILE 46 N 1.19 2.29 -1.46 2.22 1.01 -0.52 -4.69 121.20 121.23 1p2t s ILE 46 Ca -0.03 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 1p2t s ILE 46 Cb -0.17 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.26 1p2t s ILE 46 CO -0.09 0.33 1.06 0.47 0.00 0.00 0.00 174.94 176.71 1p2t n ASP 47 N 4.59 -5.28 0.00 3.58 8.00 -1.26 -1.61 116.55 124.57 1p2t n ASP 47 Ca -0.18 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1p2t n ASP 47 Cb 0.47 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 1p2t n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p2t n GLY 48 N -1.80 2.10 3.71 0.44 0.00 -1.26 -5.02 105.19 103.35 1p2t n GLY 48 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1p2t n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p2t s GLU 49 N -0.16 4.23 -0.06 1.61 2.12 -0.63 -5.05 118.70 120.75 1p2t s GLU 49 Ca 0.00 0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.15 1p2t s GLU 49 Cb 0.00 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1p2t s GLU 49 CO 0.00 0.15 1.00 0.95 -0.54 0.00 0.00 175.26 176.82 1p2t s THR 50 N 0.73 4.81 0.17 -1.70 -4.23 -1.26 -1.44 115.64 112.71 1p2t s THR 50 Ca 0.17 2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 62.57 1p2t s THR 50 Cb -0.14 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.42 1p2t s THR 50 CO 0.05 0.06 0.46 0.00 -0.54 0.00 0.00 174.62 174.65 1p2t s LEU 52 N -2.86 3.04 -0.35 0.00 2.96 -0.18 -0.72 118.68 120.57 1p2t s LEU 52 Ca 0.08 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 1p2t s LEU 52 Cb 0.00 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1p2t s LEU 52 CO -0.06 -0.03 0.74 -0.76 -1.32 0.00 0.00 176.35 174.91 1p2t s LEU 53 N 1.50 4.16 -0.46 -0.68 1.02 -0.08 -1.14 118.68 123.00 1p2t s LEU 53 Ca 0.06 0.33 -0.10 0.00 0.02 0.00 0.00 54.13 54.44 1p2t s LEU 53 Cb -0.15 -2.95 0.11 0.00 0.02 0.00 0.00 46.19 43.22 1p2t s LEU 53 CO -0.02 -0.67 0.33 -0.62 0.02 0.00 0.00 176.35 175.39 1p2t s ASP 54 N 1.80 5.71 -0.19 2.29 -1.08 -0.47 -1.45 116.67 123.28 1p2t s ASP 54 Ca 0.29 -1.78 -0.08 0.00 -0.52 0.00 0.00 52.55 50.46 1p2t s ASP 54 Cb -0.14 -2.01 -0.04 0.00 -1.46 0.00 0.00 42.92 39.27 1p2t s ASP 54 CO 0.16 -0.65 0.08 -0.63 0.52 0.00 0.00 175.17 174.64 1p2t s ILE 55 N 1.39 4.91 -0.28 4.11 1.01 0.92 -1.23 121.20 132.02 1p2t s ILE 55 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1p2t s ILE 55 Cb -0.25 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1p2t s ILE 55 CO 0.00 0.46 0.06 -0.22 0.00 0.00 0.00 174.94 175.23 1p2t s LEU 56 N 0.37 3.70 -0.31 2.97 2.96 -0.03 -0.26 118.68 128.08 1p2t s LEU 56 Ca 0.04 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1p2t s LEU 56 Cb -0.12 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1p2t s LEU 56 CO -0.00 -0.17 0.43 -0.62 -1.32 0.00 0.00 176.35 174.67 1p2t s ASP 57 N 1.48 6.28 0.48 3.68 2.15 0.14 -1.50 116.67 129.39 1p2t s ASP 57 Ca 0.03 0.10 0.08 0.00 0.43 0.00 0.00 52.55 53.19 1p2t s ASP 57 Cb -0.17 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 1p2t s ASP 57 CO 0.01 -0.33 0.63 0.42 -0.17 0.00 0.00 175.17 175.73 1p2t s THR 58 N 2.19 2.58 0.13 1.71 -4.23 -1.19 -1.49 115.64 115.34 1p2t s THR 58 Ca 0.16 -1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 1p2t s THR 58 Cb -0.16 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 70.98 1p2t s THR 58 CO 0.11 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.76 1p2t s ALA 59 N -2.50 3.57 -0.45 3.99 0.00 -1.22 -4.83 121.76 120.32 1p2t s ALA 59 Ca 0.56 -0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.69 1p2t s ALA 59 Cb -0.07 -2.58 0.21 0.00 0.00 0.00 0.00 23.12 20.69 1p2t s ALA 59 CO 0.34 0.43 1.25 0.78 0.00 0.00 0.00 175.76 178.56 1p2t h GLY 60 N 3.86 0.00 -4.34 0.00 0.00 -1.80 -3.46 103.07 97.32 1p2t h GLY 60 Ca -0.49 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.31 1p2t h GLY 60 CO 0.65 0.00 0.82 -0.86 0.00 0.00 0.00 176.54 177.14 1p2t s GLN 61 N -3.25 4.22 -0.43 4.80 -2.07 -1.26 -3.87 119.66 117.81 1p2t s GLN 61 Ca 0.04 2.37 -0.27 0.00 -1.82 0.00 0.00 55.36 55.68 1p2t s GLN 61 Cb 0.11 -3.10 -0.06 0.00 -1.09 0.00 0.00 33.01 28.87 1p2t s GLN 61 CO 0.74 -0.51 2.30 -1.21 -1.32 0.00 0.00 175.29 175.29 1p2t s GLU 62 N -0.01 2.43 0.00 9.60 8.01 -1.26 -5.08 118.70 132.39 1p2t s GLU 62 Ca 0.63 1.51 0.00 0.00 0.01 0.00 0.00 54.97 57.12 1p2t s GLU 62 Cb -0.44 -4.51 0.00 0.00 -4.31 0.00 0.00 34.13 24.88 1p2t s GLU 62 CO 0.41 -2.90 0.00 0.00 0.01 0.00 0.00 175.26 172.78 1p2t n MET 67 N 8.94 0.00 0.37 1.61 3.85 -1.26 -5.23 117.12 125.40 1p2t n MET 67 Ca 0.33 0.00 -0.15 0.00 -1.00 0.00 0.00 57.70 56.88 1p2t n MET 67 Cb 0.52 -2.12 -0.07 0.00 -1.05 0.00 0.00 33.22 30.49 1p2t n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1p2t h ARG 68 N 1.29 -0.94 -0.84 3.17 -0.00 -2.01 -3.09 114.38 111.96 1p2t h ARG 68 Ca 0.00 0.06 0.21 0.00 -0.50 0.00 0.00 59.98 59.75 1p2t h ARG 68 Cb 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 29.97 30.04 1p2t h ARG 68 CO 0.00 -0.63 0.06 -0.44 0.00 0.00 0.00 179.97 178.96 1p2t h ASP 69 N -1.25 -0.30 -0.31 7.04 5.19 -1.98 0.13 116.42 124.95 1p2t h ASP 69 Ca -0.10 0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1p2t h ASP 69 Cb 0.75 0.36 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 1p2t h ASP 69 CO 0.16 -0.21 -0.00 1.56 -3.12 0.00 0.00 179.24 177.63 1p2t h GLN 70 N 0.11 0.08 0.00 3.56 7.50 -2.00 -0.50 115.11 123.85 1p2t h GLN 70 Ca 0.49 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.52 1p2t h GLN 70 Cb 0.93 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.42 1p2t h GLN 70 CO -0.72 0.05 -0.54 0.10 -1.50 0.00 0.00 178.83 176.22 1p2t h TYR 71 N 0.08 0.00 -0.00 2.96 -0.00 -1.09 -3.16 116.97 115.76 1p2t h TYR 71 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.75 1p2t h TYR 71 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.91 1p2t h TYR 71 CO -0.23 0.54 -0.63 0.52 -0.00 0.00 0.00 178.16 178.36 1p2t h MET 72 N 0.00 0.00 -0.50 0.10 2.86 -0.68 -2.70 114.93 114.02 1p2t h MET 72 Ca -0.01 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1p2t h MET 72 Cb 1.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 1p2t h MET 72 CO 0.07 0.63 -0.13 -0.09 1.06 0.00 0.00 176.91 178.45 1p2t h ARG 73 N 0.00 0.96 0.00 1.72 2.43 -1.06 -3.19 114.38 115.24 1p2t h ARG 73 Ca -0.01 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1p2t h ARG 73 Cb 1.11 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1p2t h ARG 73 CO 0.08 1.03 -0.58 0.25 -1.51 0.00 0.00 179.97 179.24 1p2t n THR 74 N -4.14 0.14 -2.35 0.20 -2.24 -1.21 -4.92 114.28 99.77 1p2t n THR 74 Ca 0.01 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1p2t n THR 74 Cb 0.41 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1p2t n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1p2t s GLY 75 N -3.29 2.96 -0.09 3.38 0.00 -1.02 -4.93 107.32 104.34 1p2t s GLY 75 Ca 0.09 1.02 0.13 0.00 0.00 0.00 0.00 44.72 45.95 1p2t s GLY 75 CO 0.71 1.70 0.50 1.18 0.00 0.00 0.00 173.10 177.19 1p2t n GLU 76 N 1.35 0.65 -3.85 2.90 1.02 0.19 -4.96 120.64 117.93 1p2t n GLU 76 Ca 0.00 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1p2t n GLU 76 Cb 0.44 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1p2t n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1p2t s GLY 77 N -5.24 -0.00 -0.03 0.62 0.00 -1.01 -4.29 107.32 97.37 1p2t s GLY 77 Ca -0.07 0.01 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1p2t s GLY 77 CO 0.82 -0.12 -0.17 -1.36 0.00 0.00 0.00 173.10 172.27 1p2t s PHE 78 N -1.15 1.63 -0.38 1.90 0.40 -0.67 -1.22 117.98 118.50 1p2t s PHE 78 Ca -0.12 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 1p2t s PHE 78 Cb -0.06 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1p2t s PHE 78 CO 0.02 -0.10 0.23 -1.17 0.70 0.00 0.00 175.22 174.90 1p2t s LEU 79 N -0.18 4.81 -0.43 -0.37 2.96 -0.21 -1.54 118.68 123.72 1p2t s LEU 79 Ca 0.01 -0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 52.81 1p2t s LEU 79 Cb -0.09 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1p2t s LEU 79 CO 0.01 -0.40 0.41 0.00 -1.32 0.00 0.00 176.35 175.05 1p2t s VAL 81 N 1.97 4.45 0.13 0.00 1.01 -0.23 -0.36 120.40 127.36 1p2t s VAL 81 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1p2t s VAL 81 Cb -0.19 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1p2t s VAL 81 CO 0.11 0.58 0.05 0.72 0.00 0.00 0.00 175.10 176.56 1p2t s PHE 82 N -0.93 0.87 -0.14 5.22 -0.71 -0.63 -4.09 117.98 117.56 1p2t s PHE 82 Ca 0.14 -1.21 -0.05 0.00 -1.04 0.00 0.00 56.93 54.77 1p2t s PHE 82 Cb -0.11 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 1p2t s PHE 82 CO 0.04 -0.49 0.03 0.00 -1.34 0.00 0.00 175.22 173.45 1p2t s ALA 83 N -4.02 3.31 -1.60 1.99 0.00 -1.26 -1.00 121.76 119.18 1p2t s ALA 83 Ca 0.23 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1p2t s ALA 83 Cb 0.07 -1.71 0.49 0.00 0.00 0.00 0.00 23.12 21.98 1p2t s ALA 83 CO 0.01 0.34 1.12 0.44 0.00 0.00 0.00 175.76 177.68 1p2t n ILE 84 N 3.00 0.56 -0.80 0.00 -6.64 -0.68 -1.52 119.36 113.28 1p2t n ILE 84 Ca -0.18 0.14 0.08 0.00 -1.77 0.00 0.00 62.75 61.02 1p2t n ILE 84 Cb 0.53 -0.99 0.16 0.00 -1.44 0.00 0.00 39.64 37.90 1p2t n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1p2t n ASN 85 N -1.20 2.90 -3.51 7.28 6.94 -1.26 -0.68 115.26 125.73 1p2t n ASN 85 Ca 0.05 -2.80 -0.29 0.00 -0.02 0.00 0.00 54.58 51.53 1p2t n ASN 85 Cb 0.06 -0.39 -0.13 0.00 -2.36 0.00 0.00 39.78 36.96 1p2t n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1p2t s ASN 86 N -2.08 3.24 0.26 0.53 3.04 -0.58 -4.74 114.94 114.61 1p2t s ASN 86 Ca 0.30 -1.89 -0.03 0.00 0.04 0.00 0.00 52.86 51.28 1p2t s ASN 86 Cb 0.25 -0.44 0.41 0.00 -1.54 0.00 0.00 41.25 39.93 1p2t s ASN 86 CO 0.06 -0.35 1.86 0.74 -3.04 0.00 0.00 177.10 176.37 1p2t h THR 87 N 5.55 1.03 -0.67 -5.21 2.02 -1.89 -2.12 112.91 111.62 1p2t h THR 87 Ca -0.04 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1p2t h THR 87 Cb 0.98 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1p2t h THR 87 CO 0.34 0.19 0.42 0.50 0.37 0.00 0.00 175.52 177.35 1p2t h LYS 88 N 1.06 0.82 -0.27 6.66 3.64 -1.95 -1.17 116.57 125.36 1p2t h LYS 88 Ca 0.43 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1p2t h LYS 88 Cb 0.24 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1p2t h LYS 88 CO -0.20 0.54 0.13 0.66 -2.27 0.00 0.00 179.45 178.32 1p2t h SER 89 N 0.84 0.33 -0.29 4.20 4.64 -1.73 0.07 113.55 121.61 1p2t h SER 89 Ca 0.26 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 1p2t h SER 89 Cb -0.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1p2t h SER 89 CO -0.09 0.28 -0.27 0.15 -0.87 0.00 0.00 176.83 176.03 1p2t h PHE 90 N 0.37 0.84 -0.04 4.77 3.57 -1.04 -3.10 116.94 122.30 1p2t h PHE 90 Ca 0.10 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 1p2t h PHE 90 Cb 0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1p2t h PHE 90 CO 0.00 0.99 -0.47 0.93 -2.23 0.00 0.00 178.31 177.53 1p2t h GLU 91 N 0.45 0.10 0.00 1.11 5.08 -0.55 -2.77 114.58 118.00 1p2t h GLU 91 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1p2t h GLU 91 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1p2t h GLU 91 CO 0.07 0.56 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.05 1p2t h ASP 92 N 0.08 0.00 -0.83 1.42 3.32 -0.94 -3.12 116.42 116.35 1p2t h ASP 92 Ca 0.00 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.26 1p2t h ASP 92 Cb 0.87 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 1p2t h ASP 92 CO 0.07 0.15 0.19 0.40 -1.72 0.00 0.00 179.24 178.32 1p2t h ILE 93 N 0.00 0.36 -0.60 0.35 1.08 -1.42 -0.01 117.51 117.27 1p2t h ILE 93 Ca -0.00 -0.07 0.12 0.00 -0.39 0.00 0.00 64.86 64.51 1p2t h ILE 93 Cb 0.39 0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 34.18 1p2t h ILE 93 CO 0.02 0.04 0.09 -0.74 -0.69 0.00 0.00 178.15 176.87 1p2t h HIS 94 N 0.21 0.13 -0.65 1.37 2.76 -1.75 -1.31 115.15 115.92 1p2t h HIS 94 Ca 0.50 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.76 1p2t h HIS 94 Cb 0.96 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.90 1p2t h HIS 94 CO -0.29 -0.07 0.37 1.96 -1.30 0.00 0.00 177.93 178.60 1p2t h GLN 95 N 0.21 0.67 0.09 5.26 1.08 -1.20 -1.18 115.11 120.03 1p2t h GLN 95 Ca 0.31 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1p2t h GLN 95 Cb 0.48 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1p2t h GLN 95 CO -0.43 0.44 -0.04 1.88 -0.95 0.00 0.00 178.83 179.73 1p2t h TYR 96 N 0.69 -0.11 -0.59 2.96 -1.99 -1.12 -1.65 116.97 115.15 1p2t h TYR 96 Ca 0.28 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.06 1p2t h TYR 96 Cb 0.14 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 1p2t h TYR 96 CO -0.07 0.08 0.31 -0.09 -0.00 0.00 0.00 178.16 178.39 1p2t h ARG 97 N -0.29 0.57 -0.85 4.88 2.43 -1.09 -0.71 114.38 119.31 1p2t h ARG 97 Ca -0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1p2t h ARG 97 Cb 0.24 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1p2t h ARG 97 CO 0.02 0.38 0.46 0.93 -1.51 0.00 0.00 179.97 180.24 1p2t h GLU 98 N 0.59 1.19 -0.36 0.20 4.39 -1.14 -0.45 114.58 119.00 1p2t h GLU 98 Ca 0.26 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1p2t h GLU 98 Cb 0.17 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1p2t h GLU 98 CO -0.18 0.88 -0.20 0.37 -1.16 0.00 0.00 179.01 178.72 1p2t h GLN 99 N 1.18 0.68 -0.36 2.33 4.15 -0.61 -1.56 115.11 120.92 1p2t h GLN 99 Ca 0.30 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1p2t h GLN 99 Cb 0.04 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1p2t h GLN 99 CO -0.05 0.83 -0.06 0.82 -1.93 0.00 0.00 178.83 178.44 1p2t h ILE 100 N 0.60 1.27 -0.49 2.39 2.04 -0.67 -1.41 117.51 121.25 1p2t h ILE 100 Ca 0.09 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1p2t h ILE 100 Cb 0.67 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1p2t h ILE 100 CO 0.05 0.37 0.29 0.11 0.00 0.00 0.00 178.15 178.96 1p2t h LYS 101 N 0.48 0.67 -0.36 2.37 1.57 -0.91 -1.09 116.57 119.30 1p2t h LYS 101 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1p2t h LYS 101 Cb 0.56 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1p2t h LYS 101 CO 0.03 0.50 0.20 -0.09 -0.57 0.00 0.00 179.45 179.52 1p2t h ARG 102 N 0.65 0.49 -0.49 3.15 2.43 -1.17 -0.20 114.38 119.24 1p2t h ARG 102 Ca 0.17 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1p2t h ARG 102 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1p2t h ARG 102 CO -0.03 0.39 -0.15 0.28 -1.51 0.00 0.00 179.97 178.95 1p2t h VAL 103 N 0.45 1.27 -0.18 0.20 2.07 -1.09 -3.10 116.25 115.87 1p2t h VAL 103 Ca 0.13 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1p2t h VAL 103 Cb 0.04 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1p2t h VAL 103 CO -0.02 0.45 0.00 0.29 0.02 0.00 0.00 177.57 178.31 1p2t n LYS 104 N -4.13 1.83 -4.06 1.57 5.02 -0.43 -4.87 118.16 113.08 1p2t n LYS 104 Ca 0.01 -1.24 -0.33 0.00 -2.02 0.00 0.00 58.31 54.73 1p2t n LYS 104 Cb 0.42 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1p2t n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1p2t n ASP 105 N 0.47 -3.67 -3.87 4.39 8.00 -0.14 -4.95 116.55 116.78 1p2t n ASP 105 Ca 0.17 -0.91 -0.12 0.00 0.71 0.00 0.00 54.79 54.64 1p2t n ASP 105 Cb 0.37 -3.29 -0.13 0.00 -0.02 0.00 0.00 41.12 38.05 1p2t n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1p2t s SER 106 N -3.41 -0.01 0.25 -2.24 0.15 -0.86 -5.01 113.70 102.57 1p2t s SER 106 Ca 0.64 0.01 0.19 0.00 0.70 0.00 0.00 55.95 57.49 1p2t s SER 106 Cb -0.33 0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1p2t s SER 106 CO 0.88 -0.07 1.22 0.44 1.20 0.00 0.00 173.24 176.92 1p2t h ASP 107 N 5.82 0.00 -3.37 5.45 3.32 -1.92 -3.40 116.42 122.31 1p2t h ASP 107 Ca -0.26 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.23 1p2t h ASP 107 Cb 1.21 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.38 1p2t h ASP 107 CO 0.47 0.26 -0.79 1.51 -1.72 0.00 0.00 179.24 178.96 1p2t s ASP 108 N -5.93 3.03 -0.01 6.45 1.47 -1.26 -5.06 116.67 115.36 1p2t s ASP 108 Ca 0.02 -0.76 0.04 0.00 1.18 0.00 0.00 52.55 53.03 1p2t s ASP 108 Cb 0.08 -0.98 -0.01 0.00 -0.34 0.00 0.00 42.92 41.67 1p2t s ASP 108 CO 0.76 -0.19 -0.15 -0.69 0.68 0.00 0.00 175.17 175.58 1p2t s VAL 109 N 1.58 1.16 -0.14 2.11 1.01 -1.26 -5.08 120.40 119.77 1p2t s VAL 109 Ca -0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 61.98 61.00 1p2t s VAL 109 Cb -0.16 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.13 1p2t s VAL 109 CO -0.08 0.33 1.87 -2.65 0.00 0.00 0.00 175.10 174.58 1p2t n PRO 110 N 2.77 1.94 -3.69 2.72 -0.02 -1.26 -4.91 135.00 132.55 1p2t n PRO 110 Ca -0.15 0.71 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1p2t n PRO 110 Cb 0.55 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1p2t n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1p2t s MET 111 N 4.11 0.78 -0.03 -0.52 1.75 -1.26 -1.66 119.30 122.47 1p2t s MET 111 Ca 0.95 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 55.38 1p2t s MET 111 Cb -0.77 0.36 0.01 0.00 2.84 0.00 0.00 34.83 37.27 1p2t s MET 111 CO 0.54 -0.22 -0.07 0.08 -0.65 0.00 0.00 175.02 174.70 1p2t s VAL 112 N -1.22 0.63 -0.22 10.11 1.01 -0.59 -4.26 120.40 125.87 1p2t s VAL 112 Ca -0.12 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1p2t s VAL 112 Cb -0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1p2t s VAL 112 CO 0.06 0.22 0.47 -0.22 0.00 0.00 0.00 175.10 175.63 1p2t s LEU 113 N 0.43 4.12 -0.19 3.92 2.96 -0.44 -1.01 118.68 128.48 1p2t s LEU 113 Ca -0.06 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1p2t s LEU 113 Cb -0.10 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1p2t s LEU 113 CO 0.00 -0.17 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.05 1p2t s VAL 114 N 1.69 2.76 -0.53 1.68 1.01 0.51 -1.18 120.40 126.35 1p2t s VAL 114 Ca 0.22 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1p2t s VAL 114 Cb -0.15 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.12 1p2t s VAL 114 CO 0.09 0.49 0.52 -0.83 0.00 0.00 0.00 175.10 175.37 1p2t s GLY 115 N 1.22 2.00 0.45 4.51 0.00 -0.42 -1.61 107.32 113.47 1p2t s GLY 115 Ca 0.02 -2.31 0.01 0.00 0.00 0.00 0.00 44.72 42.44 1p2t s GLY 115 CO -0.05 1.25 0.66 0.21 0.00 0.00 0.00 173.10 175.17 1p2t s ASN 116 N 3.28 5.78 -0.63 1.64 2.47 -0.17 -0.19 114.94 127.12 1p2t s ASN 116 Ca 0.06 0.20 -0.00 0.00 0.42 0.00 0.00 52.86 53.54 1p2t s ASN 116 Cb -0.27 -1.42 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 1p2t s ASN 116 CO 0.05 -0.73 0.01 0.29 -3.72 0.00 0.00 177.10 173.01 1p2t n LYS 117 N -2.06 -0.67 0.00 0.43 5.02 -0.69 -1.69 118.16 118.50 1p2t n LYS 117 Ca 0.02 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.71 1p2t n LYS 117 Cb 0.58 -4.25 0.24 0.00 -0.02 0.00 0.00 35.03 31.58 1p2t n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p2t h ASP 119 N 0.00 0.00 -3.88 0.00 2.03 -1.91 -3.46 116.42 109.20 1p2t h ASP 119 Ca 0.00 -0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1p2t h ASP 119 Cb 0.05 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1p2t h ASP 119 CO 0.00 0.00 0.37 -0.76 -1.03 0.00 0.00 179.24 177.82 1p2t s LEU 120 N -5.54 4.35 0.11 0.15 1.43 -0.63 -4.99 118.68 113.56 1p2t s LEU 120 Ca 0.08 1.93 0.14 0.00 -1.03 0.00 0.00 54.13 55.25 1p2t s LEU 120 Cb 0.08 -3.97 -0.11 0.00 0.03 0.00 0.00 46.19 42.21 1p2t s LEU 120 CO 0.64 -0.13 1.04 0.00 0.23 0.00 0.00 176.35 178.13 1p2t h ALA 121 N 3.20 0.63 0.00 4.21 0.00 -1.89 -3.39 119.26 122.02 1p2t h ALA 121 Ca -0.47 -0.86 -0.36 0.00 0.00 0.00 0.00 54.91 53.22 1p2t h ALA 121 Cb 1.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1p2t h ALA 121 CO 0.65 1.02 1.43 0.00 0.00 0.00 0.00 179.25 182.34 1p2t n ALA 122 N -2.37 6.30 -2.07 0.00 0.00 -1.26 -4.94 120.51 116.17 1p2t n ALA 122 Ca -0.06 -2.32 -0.41 0.00 0.00 0.00 0.00 53.44 50.65 1p2t n ALA 122 Cb 0.87 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 1p2t n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1p2t s ARG 123 N 1.77 4.45 -0.00 0.00 3.52 -1.26 -4.54 118.95 122.88 1p2t s ARG 123 Ca 0.61 1.93 0.04 0.00 -0.13 0.00 0.00 55.73 58.18 1p2t s ARG 123 Cb 0.23 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 1p2t s ARG 123 CO -0.02 -0.17 0.12 0.25 -0.81 0.00 0.00 175.30 174.67 1p2t n THR 124 N 2.70 0.00 -3.91 4.11 -2.24 0.14 -4.93 114.28 110.15 1p2t n THR 124 Ca 0.05 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1p2t n THR 124 Cb 0.44 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 69.29 1p2t n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1p2t s VAL 125 N -1.72 3.03 0.39 2.28 1.01 -0.78 -4.89 120.40 119.72 1p2t s VAL 125 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.45 1p2t s VAL 125 Cb 0.03 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1p2t s VAL 125 CO 0.15 -0.04 1.27 -1.61 0.00 0.00 0.00 175.10 174.88 1p2t s GLU 126 N 1.28 4.08 0.29 2.72 2.02 -1.26 -4.91 118.70 122.92 1p2t s GLU 126 Ca -0.04 2.10 -0.00 0.00 0.02 0.00 0.00 54.97 57.05 1p2t s GLU 126 Cb -0.19 -2.82 0.49 0.00 0.10 0.00 0.00 34.13 31.71 1p2t s GLU 126 CO -0.01 -0.38 1.89 0.77 0.02 0.00 0.00 175.26 177.55 1p2t h SER 127 N 2.85 0.96 -0.61 -0.19 0.02 -1.99 -0.99 113.55 113.60 1p2t h SER 127 Ca -0.49 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1p2t h SER 127 Cb 1.24 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1p2t h SER 127 CO 0.63 0.60 0.40 -0.09 -1.14 0.00 0.00 176.83 177.24 1p2t h ARG 128 N 1.08 0.78 0.13 3.45 2.43 -1.99 0.17 114.38 120.43 1p2t h ARG 128 Ca 0.42 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1p2t h ARG 128 Cb 0.22 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1p2t h ARG 128 CO -0.17 0.51 -0.06 1.96 -1.51 0.00 0.00 179.97 180.71 1p2t h GLN 129 N 0.80 -0.17 -0.57 0.20 4.20 -1.56 -1.23 115.11 116.79 1p2t h GLN 129 Ca 0.23 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 1p2t h GLN 129 Cb -0.06 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1p2t h GLN 129 CO -0.05 -0.04 0.05 0.00 -0.67 0.00 0.00 178.83 178.12 1p2t h ALA 130 N 0.60 1.02 -0.38 3.87 0.00 -1.13 -2.36 119.26 120.89 1p2t h ALA 130 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1p2t h ALA 130 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1p2t h ALA 130 CO 0.03 0.62 0.16 0.37 0.00 0.00 0.00 179.25 180.42 1p2t h GLN 131 N 0.88 0.56 -0.22 0.00 5.75 -0.54 1.00 115.11 122.53 1p2t h GLN 131 Ca 0.17 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1p2t h GLN 131 Cb 0.44 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1p2t h GLN 131 CO 0.02 0.53 0.11 -0.44 -2.65 0.00 0.00 178.83 176.40 1p2t h ASP 132 N 0.46 0.17 -0.12 -0.69 3.32 -1.09 0.90 116.42 119.38 1p2t h ASP 132 Ca 0.13 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1p2t h ASP 132 Cb 0.17 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1p2t h ASP 132 CO -0.01 0.13 -0.06 0.25 -1.72 0.00 0.00 179.24 177.83 1p2t h LEU 133 N 0.24 -0.20 -0.87 1.55 5.85 -1.18 -1.19 115.31 119.51 1p2t h LEU 133 Ca 0.09 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1p2t h LEU 133 Cb 0.02 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1p2t h LEU 133 CO -0.06 -0.08 0.52 0.00 -0.34 0.00 0.00 178.44 178.48 1p2t h ALA 134 N 1.07 1.25 -0.68 1.25 0.00 -0.42 -1.43 119.26 120.30 1p2t h ALA 134 Ca 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p2t h ALA 134 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1p2t h ALA 134 CO -0.15 0.17 0.23 -0.09 0.00 0.00 0.00 179.25 179.40 1p2t h ARG 135 N 0.88 1.03 0.00 0.00 2.43 0.04 -0.01 114.38 118.75 1p2t h ARG 135 Ca 0.42 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1p2t h ARG 135 Cb 0.35 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1p2t h ARG 135 CO -0.24 0.87 -0.34 0.66 -1.51 0.00 0.00 179.97 179.41 1p2t h SER 136 N 1.00 0.00 1.38 -3.80 4.64 -0.22 -2.35 113.55 114.20 1p2t h SER 136 Ca 0.22 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 1p2t h SER 136 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1p2t h SER 136 CO -0.01 0.34 -0.64 1.88 -0.87 0.00 0.00 176.83 177.53 1p2t h TYR 137 N 0.00 0.00 0.00 4.77 0.05 -0.72 -3.48 116.97 117.59 1p2t h TYR 137 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1p2t h TYR 137 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1p2t h TYR 137 CO 0.00 0.46 0.00 0.41 -1.05 0.00 0.00 178.16 177.98 1p2t n GLY 138 N 1.24 0.54 3.37 3.88 0.00 -0.08 -5.05 105.19 109.10 1p2t n GLY 138 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1p2t n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p2t s ILE 139 N -2.00 1.56 0.54 -0.61 -4.36 -0.85 -5.04 121.20 110.45 1p2t s ILE 139 Ca 0.00 -2.14 -0.18 0.00 -0.26 0.00 0.00 60.65 58.07 1p2t s ILE 139 Cb 0.00 -2.25 -0.06 0.00 1.25 0.00 0.00 42.46 41.40 1p2t s ILE 139 CO 0.00 -0.44 1.07 -2.84 0.24 0.00 0.00 174.94 172.96 1p2t s PRO 140 N -3.72 3.50 -0.11 0.37 0.02 -1.26 -4.37 135.00 129.44 1p2t s PRO 140 Ca 0.26 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.67 1p2t s PRO 140 Cb 0.02 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1p2t s PRO 140 CO 0.09 -0.68 -0.22 -0.47 -0.33 0.00 0.00 177.00 175.39 1p2t s TYR 141 N -2.11 2.61 -0.04 6.54 5.04 -1.26 -1.33 117.35 126.80 1p2t s TYR 141 Ca 0.67 -1.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 1p2t s TYR 141 Cb -0.18 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.41 1p2t s TYR 141 CO 0.28 -0.40 -0.01 0.42 -1.34 0.00 0.00 175.55 174.50 1p2t s ILE 142 N 0.38 0.29 -0.04 3.14 1.01 -0.32 -4.99 121.20 120.66 1p2t s ILE 142 Ca -0.17 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1p2t s ILE 142 Cb -0.17 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1p2t s ILE 142 CO 0.08 0.18 0.37 -1.61 0.00 0.00 0.00 174.94 173.95 1p2t s GLU 143 N 1.10 3.93 0.29 2.79 2.02 -1.26 -1.30 118.70 126.26 1p2t s GLU 143 Ca -0.09 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.23 1p2t s GLU 143 Cb -0.14 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1p2t s GLU 143 CO -0.01 0.61 0.13 0.95 0.02 0.00 0.00 175.26 176.96 1p2t s THR 144 N -0.76 0.42 -0.22 3.63 -4.23 0.73 -4.45 115.64 110.76 1p2t s THR 144 Ca 0.22 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 1p2t s THR 144 Cb -0.16 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.25 1p2t s THR 144 CO 0.11 0.00 0.35 -0.55 -0.54 0.00 0.00 174.62 173.99 1p2t s SER 145 N -3.35 0.36 0.49 3.99 0.15 -0.51 -1.48 113.70 113.36 1p2t s SER 145 Ca 0.36 0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.56 1p2t s SER 145 Cb 0.06 1.01 1.16 0.00 -1.71 0.00 0.00 66.02 66.53 1p2t s SER 145 CO 0.16 -0.29 1.92 0.00 1.20 0.00 0.00 173.24 176.22 1p2t h ALA 146 N 8.21 1.04 0.12 5.45 0.00 -1.89 0.45 119.26 132.63 1p2t h ALA 146 Ca -0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1p2t h ALA 146 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1p2t h ALA 146 CO 0.25 0.16 -0.06 -0.22 0.00 0.00 0.00 179.25 179.38 1p2t h LYS 147 N 0.00 -0.15 0.00 0.00 3.64 -1.94 -3.32 116.57 114.80 1p2t h LYS 147 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p2t h LYS 147 Cb 0.61 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1p2t h LYS 147 CO 0.02 0.27 -0.90 0.25 -2.27 0.00 0.00 179.45 176.82 1p2t n THR 148 N -4.95 0.34 -0.87 1.00 -2.24 -1.19 -4.84 114.28 101.52 1p2t n THR 148 Ca -0.09 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1p2t n THR 148 Cb 0.25 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1p2t n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1p2t n ARG 149 N -2.19 0.00 -2.04 -0.78 0.63 0.16 -5.02 116.66 107.41 1p2t n ARG 149 Ca 0.02 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.53 1p2t n ARG 149 Cb 0.47 -2.52 -0.03 0.00 0.45 0.00 0.00 32.46 30.83 1p2t n ARG 149 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1p2t s GLN 150 N -0.13 4.28 0.00 -0.14 0.74 -1.04 -2.96 119.66 120.42 1p2t s GLN 150 Ca 0.00 2.26 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1p2t s GLN 150 Cb 0.00 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1p2t s GLN 150 CO 0.00 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 1p2t n GLY 151 N 2.48 0.77 0.37 2.59 0.00 -1.26 -1.42 105.19 108.71 1p2t n GLY 151 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1p2t n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p2t h VAL 152 N 0.00 0.00 -0.51 1.61 2.07 -1.84 0.95 116.25 118.53 1p2t h VAL 152 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1p2t h VAL 152 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1p2t h VAL 152 CO 0.00 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.55 1p2t h GLU 153 N -0.89 0.69 -0.03 1.57 5.08 -1.91 -2.36 114.58 116.73 1p2t h GLU 153 Ca -0.08 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1p2t h GLU 153 Cb 0.70 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1p2t h GLU 153 CO 0.10 0.50 -0.16 0.22 -1.00 0.00 0.00 179.01 178.67 1p2t h ASP 154 N 0.70 -0.48 0.03 1.42 1.82 -1.89 0.16 116.42 118.19 1p2t h ASP 154 Ca 0.18 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1p2t h ASP 154 Cb 0.00 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1p2t h ASP 154 CO -0.03 -0.22 -0.10 0.00 -1.61 0.00 0.00 179.24 177.28 1p2t h ALA 155 N 0.71 -0.13 -0.45 -0.78 0.00 -0.31 -0.92 119.26 117.38 1p2t h ALA 155 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1p2t h ALA 155 Cb 0.34 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1p2t h ALA 155 CO -0.18 -0.60 -0.02 0.74 0.00 0.00 0.00 179.25 179.19 1p2t h PHE 156 N -0.18 0.88 -0.36 0.00 0.04 -1.27 -2.58 116.94 113.46 1p2t h PHE 156 Ca 0.03 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.51 1p2t h PHE 156 Cb 0.21 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1p2t h PHE 156 CO -0.14 0.86 -0.27 1.88 -0.60 0.00 0.00 178.31 180.04 1p2t h TYR 157 N 0.64 0.86 -0.75 -0.55 -1.99 -0.64 -2.28 116.97 112.27 1p2t h TYR 157 Ca 0.12 -0.21 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 1p2t h TYR 157 Cb 0.52 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 1p2t h TYR 157 CO 0.04 0.93 0.36 1.15 -0.00 0.00 0.00 178.16 180.64 1p2t h THR 158 N 0.64 1.24 -0.88 -2.88 2.02 -1.12 -0.48 112.91 111.45 1p2t h THR 158 Ca 0.08 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1p2t h THR 158 Cb 0.78 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1p2t h THR 158 CO 0.06 0.28 0.48 0.25 0.37 0.00 0.00 175.52 176.97 1p2t h LEU 159 N 1.05 1.10 -0.47 2.58 5.85 -1.19 0.24 115.31 124.47 1p2t h LEU 159 Ca 0.26 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1p2t h LEU 159 Cb 0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1p2t h LEU 159 CO -0.03 0.89 0.16 0.58 -0.34 0.00 0.00 178.44 179.70 1p2t h VAL 160 N 1.23 1.22 -0.12 1.05 2.07 -0.80 -1.41 116.25 119.49 1p2t h VAL 160 Ca 0.31 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1p2t h VAL 160 Cb 0.03 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1p2t h VAL 160 CO -0.05 0.26 -0.15 0.03 0.02 0.00 0.00 177.57 177.68 1p2t h ARG 161 N 0.62 0.19 -0.47 1.57 3.08 -0.54 -1.06 114.38 117.77 1p2t h ARG 161 Ca 0.15 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1p2t h ARG 161 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1p2t h ARG 161 CO -0.01 0.35 -0.14 0.93 -1.07 0.00 0.00 179.97 180.03 1p2t h GLU 162 N 0.18 0.89 -0.53 0.04 4.39 -0.41 -2.48 114.58 116.67 1p2t h GLU 162 Ca 0.04 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1p2t h GLU 162 Cb 0.39 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1p2t h GLU 162 CO 0.02 0.97 -0.06 0.82 -1.16 0.00 0.00 179.01 179.61 1p2t h ILE 163 N 0.79 1.26 0.00 3.13 2.04 -0.51 -2.64 117.51 121.59 1p2t h ILE 163 Ca 0.12 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1p2t h ILE 163 Cb 0.67 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1p2t h ILE 163 CO 0.05 0.42 -0.03 0.03 0.00 0.00 0.00 178.15 178.61 1p2t h ARG 164 N 0.87 0.00 -0.07 2.37 3.08 -0.83 -2.73 114.38 117.06 1p2t h ARG 164 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1p2t h ARG 164 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1p2t h ARG 164 CO 0.04 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 180.01 1p2t n GLN 165 N -4.29 2.33 0.00 0.04 6.02 -0.97 -5.10 117.38 115.41 1p2t n GLN 165 Ca -0.03 -1.96 0.12 0.00 -0.01 0.00 0.00 57.00 55.11 1p2t n GLN 165 Cb 0.12 -1.46 0.69 0.00 1.02 0.00 0.00 30.24 30.60 1p2t n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63