#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 h ASP 2 N 0.00 0.32 -0.44 0.00 3.32 -2.11 -2.29 116.42 115.22 1x02 h ASP 2 Ca 0.00 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 1x02 h ASP 2 Cb 0.00 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.36 1x02 h ASP 2 CO 0.00 0.52 0.23 0.00 -1.72 0.00 0.00 179.24 178.27 1x02 n GLN 3 N -4.20 2.08 -3.15 3.56 6.02 -1.26 -4.66 117.38 115.76 1x02 n GLN 3 Ca -0.00 -1.56 0.05 0.00 -0.01 0.00 0.00 57.00 55.47 1x02 n GLN 3 Cb 0.32 -1.70 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1x02 s LEU 4 N -1.60 -0.83 0.10 1.08 2.34 -0.86 -4.85 118.68 114.06 1x02 s LEU 4 Ca 0.29 0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.79 1x02 s LEU 4 Cb 0.23 1.61 0.00 0.00 -0.56 0.00 0.00 46.19 47.48 1x02 s LEU 4 CO 0.06 -0.15 0.00 0.41 -1.06 0.00 0.00 176.35 175.61 1x02 n THR 5 N 5.36 0.31 0.00 5.48 -1.04 -1.26 -4.81 114.28 118.32 1x02 n THR 5 Ca 0.01 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1x02 n THR 5 Cb 0.54 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x02 n GLU 6 N -3.01 1.63 0.06 -2.82 -0.58 -1.26 -4.66 120.64 110.00 1x02 n GLU 6 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1x02 n GLU 6 Cb 0.00 -0.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.06 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x02 h GLU 7 N 0.00 -0.13 0.36 3.49 9.09 -1.97 -2.76 114.58 122.66 1x02 h GLU 7 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.40 1x02 h GLU 7 Cb 0.45 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1x02 h GLU 7 CO 0.00 0.14 -0.17 1.96 0.05 0.00 0.00 179.01 180.98 1x02 h GLN 8 N -0.39 -0.46 -0.91 1.06 1.08 -1.88 -2.63 115.11 110.98 1x02 h GLN 8 Ca -0.01 0.03 0.25 0.00 -1.45 0.00 0.00 58.65 57.47 1x02 h GLN 8 Cb 0.32 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 27.70 1x02 h GLN 8 CO 0.02 -0.24 0.15 0.82 -0.95 0.00 0.00 178.83 178.63 1x02 h ILE 9 N -0.59 0.19 -0.69 2.54 2.04 -1.83 0.57 117.51 119.75 1x02 h ILE 9 Ca -0.05 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1x02 h ILE 9 Cb 0.43 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1x02 h ILE 9 CO 0.08 0.02 0.29 0.00 0.00 0.00 0.00 178.15 178.54 1x02 h ALA 10 N 1.86 0.89 -0.25 1.87 0.00 -1.31 0.37 119.26 122.69 1x02 h ALA 10 Ca 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1x02 h ALA 10 Cb 1.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x02 h ALA 10 CO -0.76 0.50 0.12 0.93 0.00 0.00 0.00 179.25 180.05 1x02 h GLU 11 N 0.98 0.37 0.00 0.00 4.39 0.41 0.21 114.58 120.93 1x02 h GLU 11 Ca 0.23 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 1x02 h GLU 11 Cb 0.19 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1x02 h GLU 11 CO -0.02 0.36 -0.36 0.74 -1.16 0.00 0.00 179.01 178.57 1x02 h PHE 12 N 0.28 0.00 0.13 4.33 0.04 -0.86 -3.00 116.94 117.85 1x02 h PHE 12 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1x02 h PHE 12 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1x02 h PHE 12 CO -0.02 0.36 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.76 1x02 h LYS 13 N 0.00 -0.16 -0.81 1.51 3.64 0.12 -2.93 116.57 117.94 1x02 h LYS 13 Ca -0.00 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1x02 h LYS 13 Cb 0.99 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 1x02 h LYS 13 CO 0.05 -0.11 0.11 0.93 -2.27 0.00 0.00 179.45 178.15 1x02 h GLU 14 N -0.77 0.15 -0.19 1.90 4.39 -0.71 0.86 114.58 120.21 1x02 h GLU 14 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1x02 h GLU 14 Cb 0.13 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1x02 h GLU 14 CO 0.03 0.10 0.05 0.00 -1.16 0.00 0.00 179.01 178.03 1x02 h ALA 15 N 1.73 1.73 0.00 3.43 0.00 -1.65 -1.23 119.26 123.28 1x02 h ALA 15 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x02 h ALA 15 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x02 h ALA 15 CO -0.65 0.21 -0.58 0.35 0.00 0.00 0.00 179.25 178.58 1x02 h PHE 16 N 0.26 0.00 0.06 0.00 3.04 0.63 -3.30 116.94 117.62 1x02 h PHE 16 Ca 0.07 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.77 1x02 h PHE 16 Cb 0.11 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.62 1x02 h PHE 16 CO 0.00 0.00 -1.07 0.77 -2.02 0.00 0.00 178.31 175.99 1x02 h SER 17 N 0.00 0.52 -0.33 0.41 0.02 0.12 -2.90 113.55 111.39 1x02 h SER 17 Ca 0.00 -0.46 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 1x02 h SER 17 Cb 0.80 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1x02 h SER 17 CO 0.00 1.30 -0.35 0.17 -1.14 0.00 0.00 176.83 176.81 1x02 h LEU 18 N 0.18 0.89 0.24 5.07 8.10 -1.54 -3.27 115.31 124.97 1x02 h LEU 18 Ca -0.11 -0.47 -0.01 0.00 0.11 0.00 0.00 57.88 57.40 1x02 h LEU 18 Cb 1.74 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 41.71 1x02 h LEU 18 CO 0.18 1.18 -0.11 -0.26 -4.11 0.00 0.00 178.44 175.32 1x02 h PHE 19 N 0.61 -0.29 -1.57 0.17 0.04 -1.64 -3.39 116.94 110.87 1x02 h PHE 19 Ca 0.05 -0.01 -0.42 0.00 2.80 0.00 0.00 57.97 60.39 1x02 h PHE 19 Cb 0.94 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 1x02 h PHE 19 CO 0.07 -0.08 1.34 0.34 -0.60 0.00 0.00 178.31 179.38 1x02 s ASP 20 N -5.03 4.70 -0.01 2.17 2.15 -1.09 -4.70 116.67 114.86 1x02 s ASP 20 Ca -0.15 0.63 -0.07 0.00 0.43 0.00 0.00 52.55 53.39 1x02 s ASP 20 Cb 0.04 -2.52 -0.30 0.00 -0.30 0.00 0.00 42.92 39.84 1x02 s ASP 20 CO 0.62 -2.80 0.82 0.11 -0.17 0.00 0.00 175.17 173.76 1x02 h LYS 21 N 16.94 0.34 -0.60 4.34 1.79 -1.83 -3.34 116.57 134.21 1x02 h LYS 21 Ca -0.21 -0.58 -0.05 0.00 -2.18 0.00 0.00 60.65 57.64 1x02 h LYS 21 Cb 1.19 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 32.03 1x02 h LYS 21 CO 1.17 1.23 0.20 -0.44 -1.08 0.00 0.00 179.45 180.53 1x02 h ASP 22 N 0.09 0.86 0.00 0.86 3.32 -1.88 -3.47 116.42 116.20 1x02 h ASP 22 Ca -0.28 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1x02 h ASP 22 Cb 2.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.39 1x02 h ASP 22 CO 0.18 0.83 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 1x02 n GLY 23 N -0.73 2.21 0.31 2.75 0.00 -1.26 -4.93 105.19 103.53 1x02 n GLY 23 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1x02 n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x02 h ASP 24 N 0.62 -0.26 0.00 1.61 3.04 -1.92 -3.45 116.42 116.06 1x02 h ASP 24 Ca 0.00 0.22 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 1x02 h ASP 24 Cb 0.00 0.36 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 1x02 h ASP 24 CO 0.00 -0.22 0.00 0.61 -2.04 0.00 0.00 179.24 177.59 1x02 n GLY 25 N -1.43 0.98 3.14 7.15 0.00 -1.26 -5.13 105.19 108.64 1x02 n GLY 25 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1x02 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 26 N -1.58 0.16 -0.26 2.61 -4.23 -1.26 -3.94 115.64 107.13 1x02 s THR 26 Ca 0.00 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1x02 s THR 26 Cb 0.00 -1.17 0.06 0.00 1.34 0.00 0.00 72.50 72.73 1x02 s THR 26 CO 0.00 -0.71 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.65 1x02 s ILE 27 N -3.29 2.07 0.30 2.99 1.01 0.31 -4.49 121.20 120.09 1x02 s ILE 27 Ca 0.01 -1.61 0.08 0.00 0.00 0.00 0.00 60.65 59.12 1x02 s ILE 27 Cb 0.03 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1x02 s ILE 27 CO -0.08 -0.08 0.17 0.28 0.00 0.00 0.00 174.94 175.23 1x02 s THR 28 N 1.14 3.69 0.60 2.92 -1.32 -1.26 -2.69 115.64 118.72 1x02 s THR 28 Ca -0.07 -1.57 0.28 0.00 -1.21 0.00 0.00 61.69 59.12 1x02 s THR 28 Cb -0.20 -3.14 0.40 0.00 -1.51 0.00 0.00 72.50 68.05 1x02 s THR 28 CO -0.05 -0.27 1.42 0.71 -2.21 0.00 0.00 174.62 174.21 1x02 h THR 29 N 1.52 0.06 -0.10 5.08 1.35 -1.95 1.53 112.91 120.40 1x02 h THR 29 Ca -0.46 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.17 1x02 h THR 29 Cb 1.25 0.12 0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1x02 h THR 29 CO 0.61 0.00 -0.86 0.50 -0.25 0.00 0.00 175.52 175.51 1x02 h LYS 30 N 0.00 0.76 0.16 4.72 1.63 -1.95 0.17 116.57 122.06 1x02 h LYS 30 Ca 0.45 -0.69 -0.29 0.00 -0.85 0.00 0.00 60.65 59.27 1x02 h LYS 30 Cb 2.63 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 34.43 1x02 h LYS 30 CO -0.00 1.28 -1.41 0.93 -3.45 0.00 0.00 179.45 176.79 1x02 h GLU 31 N 0.49 0.34 0.00 1.90 5.08 0.17 -3.24 114.58 119.32 1x02 h GLU 31 Ca -0.08 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1x02 h GLU 31 Cb 1.50 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1x02 h GLU 31 CO 0.17 1.28 -0.00 1.25 -1.00 0.00 0.00 179.01 180.71 1x02 h LEU 32 N -0.14 -0.00 0.00 1.33 5.85 -0.65 -2.92 115.31 118.78 1x02 h LEU 32 Ca -0.28 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 57.94 1x02 h LEU 32 Cb 1.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1x02 h LEU 32 CO 0.14 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 1x02 n GLY 33 N 0.26 -0.54 0.10 3.75 0.00 0.05 -1.20 105.19 107.61 1x02 n GLY 33 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1x02 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x02 h THR 34 N 0.00 0.51 0.00 2.61 1.03 -1.53 -3.27 112.91 112.25 1x02 h THR 34 Ca 0.00 -1.93 -0.39 0.00 -0.01 0.00 0.00 66.41 64.08 1x02 h THR 34 Cb 0.07 2.05 -0.07 0.00 -1.07 0.00 0.00 68.15 69.12 1x02 h THR 34 CO 0.00 0.29 -2.43 0.52 -0.01 0.00 0.00 175.52 173.89 1x02 n VAL 35 N -2.93 1.44 0.15 0.00 0.31 -0.47 -4.25 118.33 112.58 1x02 n VAL 35 Ca -0.07 -0.52 0.06 0.00 -0.01 0.00 0.00 64.34 63.80 1x02 n VAL 35 Cb 0.79 -1.46 0.54 0.00 -0.91 0.00 0.00 33.84 32.81 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N -0.14 0.24 0.00 5.55 2.86 -1.35 0.15 114.93 122.23 1x02 h MET 36 Ca -0.58 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1x02 h MET 36 Cb 1.83 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1x02 h MET 36 CO -0.13 0.16 0.00 0.07 1.06 0.00 0.00 176.91 178.07 1x02 h ARG 37 N 0.24 0.00 0.00 1.72 -0.00 -1.77 -2.63 114.38 111.94 1x02 h ARG 37 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.94 1x02 h ARG 37 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 1x02 h ARG 37 CO -0.01 0.00 -0.52 0.77 -0.00 0.00 0.00 179.97 180.20 1x02 h SER 38 N 0.00 0.00 0.57 0.08 0.02 -1.13 -3.14 113.55 109.95 1x02 h SER 38 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1x02 h SER 38 Cb 0.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1x02 h SER 38 CO 0.00 0.52 -1.45 -0.07 -1.14 0.00 0.00 176.83 174.70 1x02 h LEU 39 N 0.00 0.24 0.00 5.07 3.38 -1.55 -3.48 115.31 118.98 1x02 h LEU 39 Ca -0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1x02 h LEU 39 Cb 1.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x02 h LEU 39 CO 0.07 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.49 1x02 n GLY 40 N 1.58 0.79 0.10 0.83 0.00 -1.18 -5.08 105.19 102.24 1x02 n GLY 40 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1x02 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x02 n GLN 41 N 0.00 0.53 -4.07 1.61 6.02 -1.01 -5.00 117.38 115.46 1x02 n GLN 41 Ca 0.00 0.28 -0.31 0.00 -0.01 0.00 0.00 57.00 56.96 1x02 n GLN 41 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x02 n ASN 42 N -4.43 -0.92 -4.71 1.08 3.02 -1.26 -4.92 115.26 103.12 1x02 n ASN 42 Ca -0.23 -1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 52.88 1x02 n ASN 42 Cb 0.57 -2.38 0.15 0.00 -0.61 0.00 0.00 39.78 37.51 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x02 s PRO 43 N -6.92 1.09 0.24 3.52 0.04 -1.26 -5.05 135.00 126.67 1x02 s PRO 43 Ca 0.12 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 1x02 s PRO 43 Cb -0.06 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x02 s PRO 43 CO 0.94 -2.34 0.45 0.95 0.04 0.00 0.00 177.00 177.04 1x02 s THR 44 N -2.94 5.14 0.11 1.26 -4.23 -1.26 -4.83 115.64 108.90 1x02 s THR 44 Ca 0.64 -0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 60.65 1x02 s THR 44 Cb -0.18 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 1x02 s THR 44 CO 0.57 -0.27 1.21 -0.62 -0.54 0.00 0.00 174.62 174.97 1x02 n GLU 45 N -0.90 -0.30 -0.32 3.99 1.02 -1.26 0.13 120.64 123.01 1x02 n GLU 45 Ca -0.04 1.18 0.19 0.00 -0.02 0.00 0.00 57.16 58.48 1x02 n GLU 45 Cb 0.54 -1.75 0.39 0.00 -0.02 0.00 0.00 31.44 30.61 1x02 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x02 h ALA 46 N 0.18 1.67 0.50 0.62 0.00 -1.99 0.15 119.26 120.40 1x02 h ALA 46 Ca 0.11 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1x02 h ALA 46 Cb 0.28 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x02 h ALA 46 CO -0.64 -0.51 -0.24 0.93 0.00 0.00 0.00 179.25 178.79 1x02 h GLU 47 N 0.30 -0.65 -0.45 0.00 4.39 0.76 -1.66 114.58 117.27 1x02 h GLU 47 Ca 0.66 0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.49 1x02 h GLU 47 Cb 1.42 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 30.12 1x02 h GLU 47 CO -0.62 -0.37 -0.22 -0.07 -1.16 0.00 0.00 179.01 176.57 1x02 h LEU 48 N -1.08 -0.77 0.05 1.33 3.38 0.26 0.16 115.31 118.64 1x02 h LEU 48 Ca -0.07 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x02 h LEU 48 Cb 0.59 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1x02 h LEU 48 CO 0.11 -0.25 -0.16 1.56 0.09 0.00 0.00 178.44 179.80 1x02 h GLN 49 N -0.13 -0.28 -0.79 1.13 1.08 -0.83 0.78 115.11 116.07 1x02 h GLN 49 Ca 0.21 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.54 1x02 h GLN 49 Cb 0.46 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1x02 h GLN 49 CO -0.53 -0.19 0.52 -0.44 -0.95 0.00 0.00 178.83 177.24 1x02 h ASP 50 N -0.29 0.59 -0.02 1.46 5.19 -0.44 0.37 116.42 123.28 1x02 h ASP 50 Ca 0.03 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1x02 h ASP 50 Cb 0.33 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1x02 h ASP 50 CO -0.11 0.34 -0.02 0.24 -3.12 0.00 0.00 179.24 176.56 1x02 h MET 51 N 0.65 0.05 -0.34 3.56 2.86 0.09 -2.98 114.93 118.82 1x02 h MET 51 Ca 0.37 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.92 1x02 h MET 51 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1x02 h MET 51 CO -0.14 0.54 -0.06 0.82 1.06 0.00 0.00 176.91 179.13 1x02 h ILE 52 N -0.45 1.22 -0.87 -1.22 2.04 -0.24 -2.78 117.51 115.22 1x02 h ILE 52 Ca 0.00 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1x02 h ILE 52 Cb 0.54 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1x02 h ILE 52 CO 0.01 0.31 0.57 0.78 0.00 0.00 0.00 178.15 179.81 1x02 h ASN 53 N 0.52 0.94 -1.01 1.72 2.35 -0.30 0.56 115.58 120.37 1x02 h ASN 53 Ca 0.10 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1x02 h ASN 53 Cb 0.43 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 1x02 h ASN 53 CO 0.02 0.65 0.65 -0.33 -1.65 0.00 0.00 177.43 176.77 1x02 h GLU 54 N 1.10 1.15 0.00 0.81 4.39 -1.33 -2.21 114.58 118.50 1x02 h GLU 54 Ca 0.35 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.74 1x02 h GLU 54 Cb -0.00 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 1x02 h GLU 54 CO -0.11 0.76 -1.27 0.28 -1.16 0.00 0.00 179.01 177.51 1x02 h VAL 55 N 1.19 1.35 -1.17 3.13 2.07 -1.38 -3.45 116.25 117.99 1x02 h VAL 55 Ca 0.43 -3.11 -0.51 0.00 0.82 0.00 0.00 66.70 64.33 1x02 h VAL 55 Cb 0.15 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1x02 h VAL 55 CO -0.17 0.77 1.62 -0.67 0.02 0.00 0.00 177.57 179.14 1x02 n ASP 56 N -3.22 1.87 -0.09 0.57 2.03 0.19 -4.76 116.55 113.14 1x02 n ASP 56 Ca -0.07 -0.15 -0.13 0.00 0.52 0.00 0.00 54.79 54.96 1x02 n ASP 56 Cb 0.98 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 n ALA 57 N 13.41 1.10 -0.27 -1.67 0.00 -1.26 -4.53 120.51 127.28 1x02 n ALA 57 Ca 0.44 -0.83 0.20 0.00 0.00 0.00 0.00 53.44 53.26 1x02 n ALA 57 Cb 0.37 0.07 0.37 0.00 0.00 0.00 0.00 19.45 20.27 1x02 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x02 n ASP 58 N -4.34 0.12 0.00 0.00 5.75 -1.26 -4.77 116.55 112.05 1x02 n ASP 58 Ca -0.22 1.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.92 1x02 n ASP 58 Cb 0.57 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1x02 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 59 N -1.30 0.95 0.68 6.12 0.00 -1.26 -5.04 105.19 105.34 1x02 n GLY 59 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1x02 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 60 N 0.00 1.37 0.00 1.61 6.94 -1.26 -5.08 115.26 118.85 1x02 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1x02 n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 61 N 3.06 4.46 3.74 4.83 0.00 -1.26 -5.11 105.19 114.91 1x02 n GLY 61 Ca 0.00 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N 0.00 5.20 0.20 2.61 -4.23 -1.26 -4.74 115.64 113.42 1x02 s THR 62 Ca 0.00 0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 61.01 1x02 s THR 62 Cb 0.00 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 69.99 1x02 s THR 62 CO 0.00 0.39 1.58 -0.63 -0.54 0.00 0.00 174.62 175.42 1x02 s ILE 63 N 0.28 2.45 0.35 2.99 1.01 -1.10 -4.74 121.20 122.45 1x02 s ILE 63 Ca 0.23 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1x02 s ILE 63 Cb -0.15 -3.22 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1x02 s ILE 63 CO 0.09 0.03 0.48 0.47 0.00 0.00 0.00 174.94 176.01 1x02 n ASP 64 N 3.49 0.92 0.02 3.58 8.00 -1.26 -0.53 116.55 130.76 1x02 n ASP 64 Ca 0.12 -1.71 -0.11 0.00 0.71 0.00 0.00 54.79 53.80 1x02 n ASP 64 Cb 0.38 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1x02 h PHE 65 N -0.22 -0.02 -0.32 1.24 3.57 -1.96 0.37 116.94 119.59 1x02 h PHE 65 Ca -0.16 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.21 1x02 h PHE 65 Cb 0.66 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1x02 h PHE 65 CO 0.00 -0.02 -0.31 -1.00 -2.23 0.00 0.00 178.31 174.75 1x02 h PRO 66 N 0.01 0.78 -0.41 6.41 0.13 -1.95 -3.13 132.00 133.83 1x02 h PRO 66 Ca 0.03 -0.41 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1x02 h PRO 66 Cb 0.04 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1x02 h PRO 66 CO -0.05 1.04 0.07 0.93 -0.23 0.00 0.00 178.00 179.75 1x02 h GLU 67 N 0.55 0.62 -0.79 0.86 5.08 -1.87 -2.46 114.58 116.57 1x02 h GLU 67 Ca 0.05 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1x02 h GLU 67 Cb 0.89 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1x02 h GLU 67 CO 0.08 0.59 0.52 0.35 -1.00 0.00 0.00 179.01 179.55 1x02 h PHE 68 N 0.60 0.86 -0.03 4.33 3.04 -0.86 0.29 116.94 125.18 1x02 h PHE 68 Ca 0.13 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1x02 h PHE 68 Cb 0.27 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 1x02 h PHE 68 CO 0.01 0.45 0.10 -0.07 -2.02 0.00 0.00 178.31 176.79 1x02 h LEU 69 N 0.85 0.00 -0.01 0.59 4.07 -1.48 -1.35 115.31 117.99 1x02 h LEU 69 Ca 0.34 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.12 1x02 h LEU 69 Cb 0.25 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1x02 h LEU 69 CO -0.12 0.00 -0.72 0.74 -1.08 0.00 0.00 178.44 177.26 1x02 h THR 70 N 0.00 1.38 -0.33 0.22 2.02 -1.04 -3.15 112.91 112.01 1x02 h THR 70 Ca 0.01 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.08 1x02 h THR 70 Cb 0.22 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1x02 h THR 70 CO -0.00 0.63 0.20 -0.03 0.37 0.00 0.00 175.52 176.68 1x02 h MET 71 N 0.05 0.45 -0.85 6.66 1.85 -1.28 -2.60 114.93 119.21 1x02 h MET 71 Ca -0.09 -0.04 0.11 0.00 -0.61 0.00 0.00 59.70 59.07 1x02 h MET 71 Cb 1.41 -0.09 -0.08 0.00 0.43 0.00 0.00 31.60 33.26 1x02 h MET 71 CO 0.14 0.35 0.48 0.52 -0.40 0.00 0.00 176.91 178.00 1x02 h MET 72 N 0.42 0.74 -0.03 0.39 2.07 -1.59 1.09 114.93 118.02 1x02 h MET 72 Ca 0.12 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.72 1x02 h MET 72 Cb 0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 1x02 h MET 72 CO -0.02 0.49 -0.05 0.00 1.07 0.00 0.00 176.91 178.40 1x02 h ALA 73 N 1.49 -0.03 -0.01 6.32 0.00 -1.42 1.31 119.26 126.93 1x02 h ALA 73 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1x02 h ALA 73 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1x02 h ALA 73 CO -0.28 -0.54 -0.03 2.89 0.00 0.00 0.00 179.25 181.29 1x02 n ARG 74 N -5.17 1.23 -0.01 0.00 -4.01 -0.80 -3.47 116.66 104.44 1x02 n ARG 74 Ca -0.06 -0.48 0.07 0.00 -1.04 0.00 0.00 57.85 56.34 1x02 n ARG 74 Cb 0.10 -1.49 -0.11 0.00 -3.04 0.00 0.00 32.46 27.92 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1x02 n LYS 75 N -0.46 0.53 -0.36 2.89 3.00 0.37 -4.51 118.16 119.62 1x02 n LYS 75 Ca 0.20 -0.12 0.10 0.00 -0.00 0.00 0.00 58.31 58.49 1x02 n LYS 75 Cb 0.26 -1.32 0.28 0.00 0.00 0.00 0.00 35.03 34.24 1x02 n LYS 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1x02 h MET 76 N 0.00 0.85 -0.11 1.64 2.86 0.16 0.78 114.93 121.11 1x02 h MET 76 Ca 0.00 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 1x02 h MET 76 Cb 0.62 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1x02 h MET 76 CO 0.00 0.56 -0.49 1.57 1.06 0.00 0.00 176.91 179.61 1x02 h LYS 77 N 0.87 0.30 -0.07 1.72 5.09 -1.79 0.15 116.57 122.83 1x02 h LYS 77 Ca 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 60.65 61.08 1x02 h LYS 77 Cb 0.70 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.03 1x02 h LYS 77 CO -0.33 0.73 -0.10 -0.44 -2.09 0.00 0.00 179.45 177.23 1x02 h ASP 78 N 0.24 0.10 -0.02 7.07 5.19 -1.09 -2.31 116.42 125.60 1x02 h ASP 78 Ca 0.01 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x02 h ASP 78 Cb 0.96 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1x02 h ASP 78 CO 0.08 0.22 -0.09 0.35 -3.12 0.00 0.00 179.24 176.67 1x02 n THR 79 N -4.36 0.00 -0.32 0.35 -2.24 -0.92 -4.62 114.28 102.17 1x02 n THR 79 Ca -0.02 -0.45 0.27 0.00 -2.27 0.00 0.00 64.05 61.58 1x02 n THR 79 Cb 0.21 1.29 0.45 0.00 -2.10 0.00 0.00 70.33 70.18 1x02 n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x02 n ASP 80 N 0.59 0.13 -0.21 3.42 2.03 0.49 -0.29 116.55 122.72 1x02 n ASP 80 Ca 0.08 0.89 0.17 0.00 0.52 0.00 0.00 54.79 56.46 1x02 n ASP 80 Cb 0.38 -0.44 0.32 0.00 -0.72 0.00 0.00 41.12 40.66 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x02 n SER 81 N -3.93 0.14 -0.21 1.67 7.64 -1.26 -0.38 113.62 117.29 1x02 n SER 81 Ca 0.27 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 61.19 1x02 n SER 81 Cb 1.06 -0.48 0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1x02 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1x02 n GLU 82 N -4.53 -0.13 -0.03 1.43 2.13 0.61 0.19 120.64 120.30 1x02 n GLU 82 Ca 0.22 0.83 -0.08 0.00 0.66 0.00 0.00 57.16 58.79 1x02 n GLU 82 Cb 0.73 -1.24 -0.02 0.00 0.27 0.00 0.00 31.44 31.18 1x02 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x02 h GLU 83 N 0.00 -0.13 -0.87 5.31 5.08 -0.98 -0.31 114.58 122.68 1x02 h GLU 83 Ca 0.18 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.81 1x02 h GLU 83 Cb 0.32 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1x02 h GLU 83 CO -0.54 -0.09 1.13 0.93 -1.00 0.00 0.00 179.01 179.44 1x02 h GLU 84 N -0.14 0.00 0.10 2.33 4.39 0.19 1.82 114.58 123.27 1x02 h GLU 84 Ca 0.11 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.49 1x02 h GLU 84 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1x02 h GLU 84 CO -0.27 0.00 -1.76 0.82 -1.16 0.00 0.00 179.01 176.64 1x02 h ILE 85 N 0.00 0.87 -0.66 3.13 2.04 -0.92 -3.38 117.51 118.59 1x02 h ILE 85 Ca 0.41 -2.59 0.10 0.00 1.00 0.00 0.00 64.86 63.79 1x02 h ILE 85 Cb 2.66 2.59 -0.12 0.00 -0.74 0.00 0.00 36.82 41.22 1x02 h ILE 85 CO -0.00 0.78 -0.40 0.03 0.00 0.00 0.00 178.15 178.55 1x02 h ARG 86 N 0.06 -0.16 -0.69 2.37 2.47 0.30 -0.14 114.38 118.59 1x02 h ARG 86 Ca -0.33 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1x02 h ARG 86 Cb 2.03 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 30.26 1x02 h ARG 86 CO 0.12 -0.11 -0.20 0.39 0.56 0.00 0.00 179.97 180.74 1x02 n GLU 87 N -5.42 -0.09 -0.17 0.04 -0.58 -1.19 0.21 120.64 113.45 1x02 n GLU 87 Ca 0.04 1.08 -0.08 0.00 -0.42 0.00 0.00 57.16 57.78 1x02 n GLU 87 Cb 0.36 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.63 1x02 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x02 h ALA 88 N 1.28 0.62 -0.90 0.62 0.00 -1.27 -2.34 119.26 117.28 1x02 h ALA 88 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1x02 h ALA 88 Cb 0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1x02 h ALA 88 CO -0.71 0.16 0.59 0.35 0.00 0.00 0.00 179.25 179.64 1x02 h PHE 89 N 0.64 1.11 0.11 0.00 3.04 0.27 -2.77 116.94 119.34 1x02 h PHE 89 Ca 0.17 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 1x02 h PHE 89 Cb 0.08 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.22 1x02 h PHE 89 CO -0.01 0.66 -0.05 0.00 -2.02 0.00 0.00 178.31 176.89 1x02 h ARG 90 N 1.17 -0.14 -0.85 1.11 3.08 -0.53 -2.85 114.38 115.37 1x02 h ARG 90 Ca 0.35 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.60 1x02 h ARG 90 Cb -0.06 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 29.87 1x02 h ARG 90 CO -0.10 -0.05 -0.08 0.28 -1.07 0.00 0.00 179.97 178.94 1x02 h VAL 91 N -0.19 0.19 -0.80 2.04 2.07 -1.14 0.43 116.25 118.84 1x02 h VAL 91 Ca -0.01 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1x02 h VAL 91 Cb 0.15 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1x02 h VAL 91 CO 0.02 0.01 0.52 -0.26 0.02 0.00 0.00 177.57 177.88 1x02 h PHE 92 N 0.04 0.98 -1.38 1.57 -1.00 -1.41 -3.37 116.94 112.37 1x02 h PHE 92 Ca 0.45 0.02 -0.41 0.00 2.81 0.00 0.00 57.97 60.85 1x02 h PHE 92 Cb 0.79 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 1x02 h PHE 92 CO -0.54 0.58 1.06 0.34 -1.61 0.00 0.00 178.31 178.14 1x02 s ASP 93 N -5.87 5.27 0.07 2.17 2.15 0.15 -4.26 116.67 116.35 1x02 s ASP 93 Ca -0.13 -0.21 -0.22 0.00 0.43 0.00 0.00 52.55 52.42 1x02 s ASP 93 Cb 0.16 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1x02 s ASP 93 CO 0.79 -2.51 1.36 0.11 -0.17 0.00 0.00 175.17 174.75 1x02 h LYS 94 N 12.97 -0.42 -0.92 4.34 1.57 -1.77 -1.91 116.57 130.42 1x02 h LYS 94 Ca -0.08 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1x02 h LYS 94 Cb 1.08 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.43 1x02 h LYS 94 CO 1.22 -0.28 0.60 0.38 -0.57 0.00 0.00 179.45 180.80 1x02 h ASP 95 N -0.44 0.97 -2.23 0.86 2.03 -1.93 -3.47 116.42 112.21 1x02 h ASP 95 Ca 0.01 -0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.21 1x02 h ASP 95 Cb 0.47 -0.22 0.03 0.00 -0.83 0.00 0.00 39.33 38.79 1x02 h ASP 95 CO -0.24 0.65 -0.17 0.61 -1.03 0.00 0.00 179.24 179.07 1x02 n GLY 96 N -1.39 0.57 0.13 7.15 0.00 -0.72 -4.98 105.19 105.94 1x02 n GLY 96 Ca 0.13 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1x02 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 97 N 0.29 2.02 0.00 1.61 6.94 -1.26 -5.01 115.26 119.85 1x02 n ASN 97 Ca -0.00 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 1x02 n ASN 97 Cb 0.52 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 1.78 0.65 3.54 4.83 0.00 -1.26 -5.14 105.19 109.58 1x02 n GLY 98 Ca -0.35 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1x02 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x02 s TYR 99 N 0.00 2.71 -0.47 1.61 1.51 -1.26 -4.07 117.35 117.37 1x02 s TYR 99 Ca 0.00 -0.16 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 1x02 s TYR 99 Cb 0.00 -1.49 0.11 0.00 -0.11 0.00 0.00 41.96 40.47 1x02 s TYR 99 CO 0.00 0.35 0.36 0.42 -1.11 0.00 0.00 175.55 175.57 1x02 s ILE 100 N -1.05 4.52 1.22 2.71 1.01 -0.86 -4.86 121.20 123.89 1x02 s ILE 100 Ca 0.18 -1.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 1x02 s ILE 100 Cb -0.11 -3.88 0.29 0.00 0.01 0.00 0.00 42.46 38.77 1x02 s ILE 100 CO 0.09 -0.72 1.06 -0.94 0.00 0.00 0.00 174.94 174.43 1x02 s SER 101 N 2.73 0.70 0.10 3.58 1.04 -1.26 -0.33 113.70 120.26 1x02 s SER 101 Ca 0.04 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.17 1x02 s SER 101 Cb -0.26 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.54 1x02 s SER 101 CO 0.01 -4.28 1.40 0.00 0.98 0.00 0.00 173.24 171.35 1x02 h ALA 102 N -2.69 0.41 0.11 5.32 0.00 -1.98 -2.83 119.26 117.62 1x02 h ALA 102 Ca -0.48 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1x02 h ALA 102 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x02 h ALA 102 CO 0.38 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 180.05 1x02 h ALA 103 N 0.69 -0.15 0.24 0.00 0.00 -1.93 0.20 119.26 118.30 1x02 h ALA 103 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x02 h ALA 103 Cb 0.92 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1x02 h ALA 103 CO 0.08 -0.56 -0.36 0.93 0.00 0.00 0.00 179.25 179.34 1x02 h GLU 104 N -0.20 -0.61 -0.49 0.00 5.08 -1.90 -2.36 114.58 114.12 1x02 h GLU 104 Ca -0.02 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1x02 h GLU 104 Cb 0.15 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1x02 h GLU 104 CO 0.03 -0.40 0.16 1.25 -1.00 0.00 0.00 179.01 179.04 1x02 h LEU 105 N -0.63 0.15 -0.82 1.33 6.46 -1.52 -2.71 115.31 117.57 1x02 h LEU 105 Ca -0.03 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1x02 h LEU 105 Cb 0.58 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.44 1x02 h LEU 105 CO -0.11 0.11 -0.52 -0.09 -0.62 0.00 0.00 178.44 177.22 1x02 h ARG 106 N 0.33 -0.10 -0.24 1.25 2.43 -0.32 -1.41 114.38 116.32 1x02 h ARG 106 Ca 0.24 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1x02 h ARG 106 Cb 0.26 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1x02 h ARG 106 CO -0.25 -0.07 -0.37 1.25 -1.51 0.00 0.00 179.97 179.02 1x02 h HIS 107 N -0.11 -1.11 -0.93 2.20 2.76 -1.09 -1.34 115.15 115.53 1x02 h HIS 107 Ca 0.19 0.05 0.17 0.00 -2.20 0.00 0.00 60.37 58.58 1x02 h HIS 107 Cb 0.50 0.52 -0.17 0.00 1.55 0.00 0.00 27.41 29.81 1x02 h HIS 107 CO -0.89 -0.33 -0.28 0.28 -1.30 0.00 0.00 177.93 175.41 1x02 h VAL 108 N -0.28 0.05 -0.57 5.26 2.07 -1.27 0.31 116.25 121.81 1x02 h VAL 108 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1x02 h VAL 108 Cb 0.40 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 1x02 h VAL 108 CO -0.37 0.00 -0.15 0.24 0.02 0.00 0.00 177.57 177.31 1x02 h MET 109 N -0.01 -0.00 -0.51 1.57 2.86 -0.36 -1.48 114.93 117.01 1x02 h MET 109 Ca 0.41 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.15 1x02 h MET 109 Cb 0.65 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 1x02 h MET 109 CO -0.95 -0.00 -0.31 1.15 1.06 0.00 0.00 176.91 177.85 1x02 h THR 110 N -0.00 0.22 -0.92 2.22 2.02 0.09 0.12 112.91 116.65 1x02 h THR 110 Ca 0.28 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.71 1x02 h THR 110 Cb 0.42 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 66.89 1x02 h THR 110 CO -0.59 0.00 0.11 0.78 0.37 0.00 0.00 175.52 176.18 1x02 h ASN 111 N -0.19 -0.29 -0.96 4.18 4.21 -1.11 0.30 115.58 121.73 1x02 h ASN 111 Ca 0.21 0.24 0.33 0.00 1.21 0.00 0.00 56.30 58.29 1x02 h ASN 111 Cb 0.53 0.39 -0.18 0.00 -1.12 0.00 0.00 38.32 37.95 1x02 h ASN 111 CO -0.61 -0.28 0.26 0.18 -1.29 0.00 0.00 177.43 175.69 1x02 n LEU 112 N -5.38 0.10 0.00 1.61 4.77 0.03 -4.70 117.00 113.43 1x02 n LEU 112 Ca 0.22 1.61 0.00 0.00 -0.03 0.00 0.00 56.01 57.81 1x02 n LEU 112 Cb 0.72 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1x02 n LEU 112 CO -0.01 -1.71 0.00 0.61 -1.33 0.00 0.00 177.39 174.95 1x02 n GLY 113 N -1.37 0.46 3.54 -0.72 0.00 0.10 -5.17 105.19 102.04 1x02 n GLY 113 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1x02 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x02 s GLU 114 N 0.00 1.79 -0.31 1.61 0.41 -1.06 -5.11 118.70 116.04 1x02 s GLU 114 Ca 0.00 -1.56 0.03 0.00 -0.41 0.00 0.00 54.97 53.03 1x02 s GLU 114 Cb 0.00 0.46 0.09 0.00 -1.78 0.00 0.00 34.13 32.90 1x02 s GLU 114 CO 0.00 -0.75 0.01 0.15 -0.49 0.00 0.00 175.26 174.18 1x02 s LYS 115 N -3.34 1.56 0.16 1.61 3.01 -1.26 -4.45 119.74 117.03 1x02 s LYS 115 Ca 0.27 -1.61 0.08 0.00 -1.01 0.00 0.00 55.97 53.69 1x02 s LYS 115 Cb -0.01 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.81 1x02 s LYS 115 CO 0.15 -0.84 -0.05 -0.51 0.51 0.00 0.00 175.35 174.61 1x02 s LEU 116 N 1.06 3.15 0.29 3.17 1.43 -1.26 -5.09 118.68 121.43 1x02 s LEU 116 Ca 0.05 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1x02 s LEU 116 Cb -0.19 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1x02 s LEU 116 CO -0.09 0.11 -0.04 0.42 0.23 0.00 0.00 176.35 176.98 1x02 s THR 117 N -1.61 1.59 0.25 5.49 -4.23 -1.26 -4.96 115.64 110.91 1x02 s THR 117 Ca 0.25 -2.10 0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1x02 s THR 117 Cb -0.10 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.51 1x02 s THR 117 CO 0.17 -0.26 1.14 0.47 -0.54 0.00 0.00 174.62 175.60 1x02 n ASP 118 N -0.61 0.13 0.12 3.99 9.92 -1.26 0.14 116.55 128.99 1x02 n ASP 118 Ca -0.05 1.21 -0.14 0.00 -0.53 0.00 0.00 54.79 55.29 1x02 n ASP 118 Cb 0.64 -0.54 -0.08 0.00 -0.64 0.00 0.00 41.12 40.50 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1x02 h GLU 119 N 0.00 -0.27 -0.39 -1.24 4.39 -1.99 0.30 114.58 115.38 1x02 h GLU 119 Ca 0.55 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.35 1x02 h GLU 119 Cb 1.37 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 30.00 1x02 h GLU 119 CO -0.60 -0.05 -0.17 0.93 -1.16 0.00 0.00 179.01 177.96 1x02 h GLU 120 N -0.46 -0.09 -0.59 2.33 4.39 0.92 -1.49 114.58 119.59 1x02 h GLU 120 Ca -0.03 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1x02 h GLU 120 Cb 0.35 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1x02 h GLU 120 CO 0.05 -0.06 0.21 0.28 -1.16 0.00 0.00 179.01 178.33 1x02 h VAL 121 N -0.09 1.23 -0.95 3.13 2.07 -1.29 -2.80 116.25 117.55 1x02 h VAL 121 Ca 0.19 -0.76 0.27 0.00 0.82 0.00 0.00 66.70 67.22 1x02 h VAL 121 Cb 0.39 0.62 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 1x02 h VAL 121 CO -0.45 0.29 0.46 0.44 0.02 0.00 0.00 177.57 178.33 1x02 h ASP 122 N 0.83 0.38 0.13 0.57 3.32 0.13 0.98 116.42 122.76 1x02 h ASP 122 Ca 0.20 0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 1x02 h ASP 122 Cb 0.24 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1x02 h ASP 122 CO -0.01 -0.07 -0.16 -0.33 -1.72 0.00 0.00 179.24 176.94 1x02 h GLU 123 N 0.36 0.08 -0.00 3.56 5.08 -1.19 -2.46 114.58 120.00 1x02 h GLU 123 Ca 0.64 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.97 1x02 h GLU 123 Cb 1.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1x02 h GLU 123 CO -0.58 0.25 -0.07 1.98 -1.00 0.00 0.00 179.01 179.59 1x02 h MET 124 N 0.07 0.05 -0.71 2.33 4.05 0.89 -3.26 114.93 118.36 1x02 h MET 124 Ca 0.01 -0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.53 1x02 h MET 124 Cb 0.34 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 1x02 h MET 124 CO 0.02 0.81 0.48 0.82 0.23 0.00 0.00 176.91 179.27 1x02 h ILE 125 N -0.69 0.80 -0.03 1.77 1.08 -1.02 0.30 117.51 119.72 1x02 h ILE 125 Ca -0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1x02 h ILE 125 Cb 0.83 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1x02 h ILE 125 CO 0.01 0.07 0.00 -2.11 -0.69 0.00 0.00 178.15 175.43 1x02 n ARG 126 N -4.46 1.21 0.00 2.37 1.85 -0.94 -1.03 116.66 115.66 1x02 n ARG 126 Ca 0.13 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1x02 n ARG 126 Cb 0.52 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1x02 n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1x02 n GLU 127 N -0.01 0.00 -0.10 2.89 2.13 0.10 -4.83 120.64 120.82 1x02 n GLU 127 Ca 0.02 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.73 1x02 n GLU 127 Cb 0.28 -0.93 -0.13 0.00 0.27 0.00 0.00 31.44 30.92 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x02 n ALA 128 N -2.51 1.54 -1.67 4.31 0.00 -1.12 -4.94 120.51 116.12 1x02 n ALA 128 Ca 0.00 -1.15 -0.44 0.00 0.00 0.00 0.00 53.44 51.85 1x02 n ALA 128 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1x02 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x02 n ASP 129 N -2.79 3.96 -0.08 0.00 -0.08 -0.20 -4.67 116.55 112.69 1x02 n ASP 129 Ca -0.32 0.92 -0.10 0.00 -1.51 0.00 0.00 54.79 53.78 1x02 n ASP 129 Cb 1.05 -1.48 -0.04 0.00 2.34 0.00 0.00 41.12 42.99 1x02 n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1x02 n ILE 130 N 5.42 1.46 -0.30 5.18 2.08 -1.26 -4.43 119.36 127.50 1x02 n ILE 130 Ca 0.21 0.13 -0.05 0.00 0.56 0.00 0.00 62.75 63.60 1x02 n ILE 130 Cb 0.37 -2.28 0.07 0.00 -0.75 0.00 0.00 39.64 37.05 1x02 n ILE 130 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1x02 h ASP 131 N -1.00 1.03 -1.27 4.38 3.32 -1.93 -3.47 116.42 117.48 1x02 h ASP 131 Ca -0.11 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1x02 h ASP 131 Cb 0.78 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1x02 h ASP 131 CO -0.07 0.85 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 1x02 n GLY 132 N -1.07 0.51 0.37 2.75 0.00 -1.26 -5.01 105.19 101.47 1x02 n GLY 132 Ca 0.08 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1x02 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 133 N -0.63 2.78 -1.34 1.61 5.68 -1.26 -4.95 116.55 118.43 1x02 n ASP 133 Ca 0.00 -3.13 -0.12 0.00 -0.50 0.00 0.00 54.79 51.04 1x02 n ASP 133 Cb 0.30 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.80 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 134 N -1.14 0.00 3.10 6.12 0.00 -1.26 -5.01 105.19 107.00 1x02 n GLY 134 Ca 0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -4.46 0.65 -0.46 1.61 -0.21 -1.26 -3.82 119.66 111.71 1x02 s GLN 135 Ca 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 55.36 54.27 1x02 s GLN 135 Cb 0.00 -0.02 0.14 0.00 1.00 0.00 0.00 33.01 34.13 1x02 s GLN 135 CO 0.00 -0.05 0.28 0.08 -2.12 0.00 0.00 175.29 173.48 1x02 s VAL 136 N -3.22 1.43 0.93 1.09 1.01 0.56 -4.59 120.40 117.60 1x02 s VAL 136 Ca 0.04 -2.73 -0.14 0.00 0.00 0.00 0.00 61.98 59.15 1x02 s VAL 136 Cb 0.03 -1.99 0.15 0.00 0.00 0.00 0.00 36.38 34.57 1x02 s VAL 136 CO -0.06 -0.94 1.19 0.54 0.00 0.00 0.00 175.10 175.83 1x02 s ASN 137 N 0.14 3.41 0.10 3.32 4.22 -1.26 -2.02 114.94 122.85 1x02 s ASN 137 Ca 0.20 0.72 -0.25 0.00 -2.14 0.00 0.00 52.86 51.40 1x02 s ASN 137 Cb -0.19 -1.12 -0.08 0.00 1.28 0.00 0.00 41.25 41.14 1x02 s ASN 137 CO -0.04 -2.59 1.41 0.22 -2.04 0.00 0.00 177.10 174.06 1x02 h TYR 138 N -1.53 -1.31 -0.81 1.54 3.20 -1.97 0.47 116.97 116.55 1x02 h TYR 138 Ca -0.47 0.07 0.18 0.00 3.14 0.00 0.00 58.73 61.64 1x02 h TYR 138 Cb 1.31 0.62 -0.15 0.00 1.54 0.00 0.00 36.73 40.05 1x02 h TYR 138 CO -0.29 -0.36 -0.12 1.49 -1.64 0.00 0.00 178.16 177.25 1x02 h GLU 139 N -0.25 0.03 0.00 1.82 4.22 -1.95 1.24 114.58 119.69 1x02 h GLU 139 Ca 0.06 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.45 1x02 h GLU 139 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x02 h GLU 139 CO -0.49 0.02 -0.24 0.93 -2.18 0.00 0.00 179.01 177.05 1x02 h GLU 140 N 0.03 0.00 0.03 1.92 5.08 -1.35 -2.75 114.58 117.53 1x02 h GLU 140 Ca 0.42 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1x02 h GLU 140 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1x02 h GLU 140 CO -0.80 0.24 -0.36 0.35 -1.00 0.00 0.00 179.01 177.44 1x02 h PHE 141 N 0.00 0.31 0.06 4.33 3.57 0.59 -3.24 116.94 122.56 1x02 h PHE 141 Ca -0.00 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.33 1x02 h PHE 141 Cb 0.56 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1x02 h PHE 141 CO 0.00 1.05 -0.23 0.28 -2.23 0.00 0.00 178.31 177.18 1x02 h VAL 142 N -0.52 0.47 -0.74 1.41 2.07 0.03 -2.30 116.25 116.67 1x02 h VAL 142 Ca -0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1x02 h VAL 142 Cb 1.17 0.47 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 1x02 h VAL 142 CO 0.07 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.26 1x02 h GLN 143 N -0.40 0.13 -0.69 1.57 1.08 -1.62 0.17 115.11 115.33 1x02 h GLN 143 Ca 0.04 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1x02 h GLN 143 Cb 0.45 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 1x02 h GLN 143 CO -0.17 0.08 0.39 1.98 -0.95 0.00 0.00 178.83 180.16 1x02 h MET 144 N 0.13 0.69 -0.96 1.46 1.85 -1.45 1.01 114.93 117.65 1x02 h MET 144 Ca 0.41 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.49 1x02 h MET 144 Cb 0.72 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.54 1x02 h MET 144 CO -0.63 0.46 0.63 0.52 -0.40 0.00 0.00 176.91 177.49 1x02 h MET 145 N 0.71 1.20 0.00 0.39 2.86 -0.23 -2.08 114.93 117.78 1x02 h MET 145 Ca 0.31 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1x02 h MET 145 Cb 0.20 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1x02 h MET 145 CO -0.19 0.79 -0.66 1.79 1.06 0.00 0.00 176.91 179.70 1x02 h THR 146 N 1.23 0.44 -5.81 2.22 1.35 -0.47 -3.48 112.91 108.39 1x02 h THR 146 Ca 0.37 -1.68 -0.37 0.00 -0.55 0.00 0.00 66.41 64.18 1x02 h THR 146 Cb -0.04 2.08 0.13 0.00 -1.73 0.00 0.00 68.15 68.60 1x02 h THR 146 CO -0.11 0.25 -0.74 0.00 -0.25 0.00 0.00 175.52 174.67 1x02 n ALA 147 N -2.22 -1.70 0.68 6.62 0.00 0.34 -5.09 120.51 119.13 1x02 n ALA 147 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1x02 n ALA 147 Cb 0.68 -3.70 0.07 0.00 0.00 0.00 0.00 19.45 16.50 1x02 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13