#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s ALA 3 N 0.00 2.69 -0.10 0.00 0.00 -1.26 -5.07 121.76 118.03 1x86 s ALA 3 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1x86 s ALA 3 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1x86 s ALA 3 CO 0.00 -1.10 -0.15 0.42 0.00 0.00 0.00 175.76 174.93 1x86 s ILE 4 N -2.86 2.95 -0.26 0.00 1.01 -1.26 -5.06 121.20 115.71 1x86 s ILE 4 Ca 0.60 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1x86 s ILE 4 Cb -0.15 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1x86 s ILE 4 CO 0.49 0.55 -0.05 -0.60 0.00 0.00 0.00 174.94 175.34 1x86 s ARG 5 N -0.05 1.76 -0.09 2.79 6.06 -1.26 -0.66 118.95 127.50 1x86 s ARG 5 Ca -0.03 -1.26 -0.03 0.00 -2.50 0.00 0.00 55.73 51.91 1x86 s ARG 5 Cb -0.14 -2.75 -0.04 0.00 0.06 0.00 0.00 34.95 32.08 1x86 s ARG 5 CO 0.04 -0.67 0.05 0.15 -2.50 0.00 0.00 175.30 172.37 1x86 s LYS 6 N 1.23 3.12 -0.20 5.12 -0.14 -0.70 -4.97 119.74 123.20 1x86 s LYS 6 Ca -0.03 -0.34 -0.06 0.00 -1.36 0.00 0.00 55.97 54.18 1x86 s LYS 6 Cb -0.19 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1x86 s LYS 6 CO -0.07 0.72 0.02 0.21 -0.76 0.00 0.00 175.35 175.47 1x86 s LYS 7 N -1.00 3.71 -0.42 1.68 2.20 -1.26 -1.58 119.74 123.06 1x86 s LYS 7 Ca 0.15 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1x86 s LYS 7 Cb -0.12 -3.12 0.12 0.00 -1.51 0.00 0.00 37.83 33.20 1x86 s LYS 7 CO 0.04 0.07 0.17 -1.17 -0.36 0.00 0.00 175.35 174.10 1x86 s LEU 8 N 0.87 3.85 0.34 5.43 0.20 -0.14 -0.21 118.68 129.02 1x86 s LEU 8 Ca 0.02 -2.49 -0.27 0.00 0.69 0.00 0.00 54.13 52.07 1x86 s LEU 8 Cb -0.14 -1.41 -0.09 0.00 -0.43 0.00 0.00 46.19 44.11 1x86 s LEU 8 CO 0.02 -0.31 1.11 -0.69 -0.29 0.00 0.00 176.35 176.19 1x86 s VAL 9 N 0.45 3.45 -0.25 1.68 1.01 -1.21 -2.79 120.40 122.75 1x86 s VAL 9 Ca 0.14 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 1x86 s VAL 9 Cb -0.22 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1x86 s VAL 9 CO -0.06 0.20 -0.02 -0.51 0.00 0.00 0.00 175.10 174.71 1x86 s ILE 10 N -1.35 3.30 0.16 2.22 2.07 -0.91 -2.75 121.20 123.93 1x86 s ILE 10 Ca 0.51 -0.76 0.09 0.00 -1.41 0.00 0.00 60.65 59.08 1x86 s ILE 10 Cb -0.29 -2.62 -0.04 0.00 0.13 0.00 0.00 42.46 39.64 1x86 s ILE 10 CO 0.37 0.25 -0.12 0.68 -1.91 0.00 0.00 174.94 174.22 1x86 s VAL 11 N 1.42 3.12 0.00 4.00 -7.23 -0.70 -3.88 120.40 117.13 1x86 s VAL 11 Ca 0.03 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1x86 s VAL 11 Cb -0.16 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1x86 s VAL 11 CO -0.03 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1x86 n GLY 12 N 0.27 3.17 2.16 2.32 0.00 -1.26 -2.36 105.19 109.49 1x86 n GLY 12 Ca -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1x86 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x86 n ASP 13 N 0.00 -1.57 0.00 1.61 9.92 -1.26 -4.99 116.55 120.26 1x86 n ASP 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1x86 n ASP 13 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1x86 n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x86 n GLY 14 N 2.36 -0.67 3.57 0.44 0.00 -1.26 -4.68 105.19 104.96 1x86 n GLY 14 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1x86 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 15 N -2.93 2.50 0.00 4.61 0.00 -1.26 -4.34 121.76 120.35 1x86 s ALA 15 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1x86 s ALA 15 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1x86 s ALA 15 CO 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 175.76 172.46 1x86 n GLY 17 N 0.00 0.16 0.09 0.00 0.00 -1.26 -4.68 105.19 99.50 1x86 n GLY 17 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1x86 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x86 h LYS 18 N -0.61 -0.17 0.00 1.61 1.57 -1.91 -2.93 116.57 114.14 1x86 h LYS 18 Ca -0.21 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1x86 h LYS 18 Cb 1.12 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x86 h LYS 18 CO 0.17 -0.11 0.22 1.15 -0.57 0.00 0.00 179.45 180.31 1x86 h THR 19 N -0.60 0.00 0.00 -0.16 2.02 -1.94 -2.39 112.91 109.84 1x86 h THR 19 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1x86 h THR 19 Cb 0.13 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1x86 h THR 19 CO 0.03 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.52 1x86 h LEU 21 N -0.95 0.19 -1.43 0.00 5.85 -1.24 0.57 115.31 118.30 1x86 h LEU 21 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1x86 h LEU 21 Cb 0.40 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1x86 h LEU 21 CO 0.00 -0.12 0.26 -0.07 -0.34 0.00 0.00 178.44 178.16 1x86 h LEU 22 N 0.27 0.57 0.42 2.25 3.38 -1.66 -0.19 115.31 120.35 1x86 h LEU 22 Ca 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.52 1x86 h LEU 22 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x86 h LEU 22 CO -0.62 0.46 -0.20 0.40 0.09 0.00 0.00 178.44 178.56 1x86 h ILE 23 N 0.65 0.15 -0.92 1.22 2.04 -0.02 -2.19 117.51 118.43 1x86 h ILE 23 Ca 0.17 -0.61 0.19 0.00 1.00 0.00 0.00 64.86 65.60 1x86 h ILE 23 Cb 0.02 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 1x86 h ILE 23 CO -0.03 0.03 0.60 0.58 0.00 0.00 0.00 178.15 179.33 1x86 h VAL 24 N -1.11 0.71 0.05 1.67 2.07 -0.90 0.27 116.25 119.02 1x86 h VAL 24 Ca -0.06 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1x86 h VAL 24 Cb 0.49 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1x86 h VAL 24 CO 0.10 0.10 -0.03 0.15 0.02 0.00 0.00 177.57 177.90 1x86 h PHE 25 N 0.52 -0.07 0.01 1.57 3.57 -1.11 -3.21 116.94 118.23 1x86 h PHE 25 Ca 0.49 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.79 1x86 h PHE 25 Cb 1.04 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1x86 h PHE 25 CO -0.00 0.41 -0.88 0.66 -2.23 0.00 0.00 178.31 176.27 1x86 h SER 26 N -0.58 0.19 -0.76 0.41 4.64 -0.40 -3.25 113.55 113.79 1x86 h SER 26 Ca -0.01 -0.16 -0.54 0.00 -0.47 0.00 0.00 61.79 60.61 1x86 h SER 26 Cb 0.51 -0.06 -0.37 0.00 -0.31 0.00 0.00 62.40 62.17 1x86 h SER 26 CO 0.01 0.97 -0.43 0.29 -0.87 0.00 0.00 176.83 176.81 1x86 n LYS 27 N -3.62 3.28 -0.64 4.77 5.02 0.77 -4.98 118.16 122.76 1x86 n LYS 27 Ca -0.03 -3.92 0.00 0.00 -2.02 0.00 0.00 58.31 52.34 1x86 n LYS 27 Cb 0.81 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1x86 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x86 n ASP 28 N -0.79 -0.13 -3.62 4.39 2.03 -1.22 -4.75 116.55 112.47 1x86 n ASP 28 Ca 0.47 0.06 -0.16 0.00 0.52 0.00 0.00 54.79 55.69 1x86 n ASP 28 Cb 0.90 -0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 41.02 1x86 n ASP 28 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1x86 s GLN 29 N -0.97 0.86 0.08 -0.67 0.74 -1.21 -5.04 119.66 113.45 1x86 s GLN 29 Ca 0.00 0.43 -0.10 0.00 0.05 0.00 0.00 55.36 55.73 1x86 s GLN 29 Cb 0.00 0.41 -0.06 0.00 1.10 0.00 0.00 33.01 34.46 1x86 s GLN 29 CO 0.00 -0.21 0.41 0.12 -0.55 0.00 0.00 175.29 175.06 1x86 s PHE 30 N -0.61 3.59 -0.99 1.67 5.36 -1.26 -4.15 117.98 121.59 1x86 s PHE 30 Ca -0.07 0.81 -0.14 0.00 -0.96 0.00 0.00 56.93 56.57 1x86 s PHE 30 Cb -0.03 -2.18 0.21 0.00 -0.34 0.00 0.00 43.02 40.68 1x86 s PHE 30 CO 0.05 0.51 1.05 -1.25 -1.46 0.00 0.00 175.22 174.13 1x86 s PRO 31 N -1.91 3.84 0.00 10.12 0.05 -1.26 -4.83 135.00 141.01 1x86 s PRO 31 Ca 0.33 -2.52 0.16 0.00 0.05 0.00 0.00 61.00 59.03 1x86 s PRO 31 Cb -0.14 -4.68 0.72 0.00 0.05 0.00 0.00 34.50 30.45 1x86 s PRO 31 CO 0.18 -1.47 1.50 -1.91 0.05 0.00 0.00 177.00 175.35 1x86 n GLU 32 N 4.51 0.06 0.00 4.56 2.13 -1.26 -3.29 120.64 127.36 1x86 n GLU 32 Ca 0.23 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1x86 n GLU 32 Cb 0.45 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1x86 n GLU 32 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x86 n VAL 33 N -1.44 0.00 -3.63 6.31 0.31 -1.26 -4.96 118.33 113.66 1x86 n VAL 33 Ca 0.05 0.41 -0.28 0.00 -0.01 0.00 0.00 64.34 64.52 1x86 n VAL 33 Cb 0.17 -1.29 -0.16 0.00 -0.91 0.00 0.00 33.84 31.65 1x86 n VAL 33 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1x86 s TYR 34 N -0.83 0.54 -0.52 3.52 5.04 -1.21 -5.09 117.35 118.80 1x86 s TYR 34 Ca 0.00 -0.71 -0.28 0.00 -2.44 0.00 0.00 57.07 53.64 1x86 s TYR 34 Cb 0.00 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.40 1x86 s TYR 34 CO 0.00 -0.65 1.55 0.08 -1.34 0.00 0.00 175.55 175.19 1x86 s VAL 35 N 2.02 3.67 0.42 3.14 1.01 -1.25 -4.90 120.40 124.51 1x86 s VAL 35 Ca 0.04 0.58 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 1x86 s VAL 35 Cb -0.16 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1x86 s VAL 35 CO -0.18 -0.96 1.11 -2.84 0.00 0.00 0.00 175.10 172.23 1x86 s PRO 36 N 5.75 4.00 0.34 2.72 0.02 -1.26 -4.91 135.00 141.66 1x86 s PRO 36 Ca 0.60 1.66 0.24 0.00 0.02 0.00 0.00 61.00 63.52 1x86 s PRO 36 Cb -0.13 -2.51 0.46 0.00 0.02 0.00 0.00 34.50 32.33 1x86 s PRO 36 CO 0.26 -0.32 1.60 1.15 -0.33 0.00 0.00 177.00 179.37 1x86 h THR 37 N 2.10 0.00 -4.16 0.99 2.02 -1.96 -3.46 112.91 108.43 1x86 h THR 37 Ca -0.49 -0.82 -0.69 0.00 0.77 0.00 0.00 66.41 65.19 1x86 h THR 37 Cb 1.23 1.76 -0.25 0.00 -1.74 0.00 0.00 68.15 69.15 1x86 h THR 37 CO 0.62 0.00 -0.88 -0.69 0.37 0.00 0.00 175.52 174.94 1x86 s VAL 38 N -3.19 2.16 -0.13 3.16 1.01 -1.26 -5.01 120.40 117.14 1x86 s VAL 38 Ca 0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 1x86 s VAL 38 Cb 0.08 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1x86 s VAL 38 CO 0.66 0.26 0.06 0.12 0.00 0.00 0.00 175.10 176.20 1x86 s PHE 39 N -0.90 0.44 0.53 5.22 5.36 -1.26 -5.10 117.98 122.27 1x86 s PHE 39 Ca 0.12 -0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 55.70 1x86 s PHE 39 Cb -0.10 -0.74 -0.05 0.00 -0.34 0.00 0.00 43.02 41.79 1x86 s PHE 39 CO 0.03 -0.44 0.90 -1.21 -1.46 0.00 0.00 175.22 173.05 1x86 s GLU 40 N 2.05 3.63 0.09 10.12 2.02 -1.26 -4.61 118.70 130.75 1x86 s GLU 40 Ca 0.02 0.52 -0.31 0.00 0.02 0.00 0.00 54.97 55.23 1x86 s GLU 40 Cb -0.15 -2.24 -0.10 0.00 0.10 0.00 0.00 34.13 31.75 1x86 s GLU 40 CO -0.07 -0.34 1.89 0.09 0.02 0.00 0.00 175.26 176.85 1x86 n ASN 41 N -2.28 4.10 -4.23 -0.19 4.13 -1.26 -4.91 115.26 110.62 1x86 n ASN 41 Ca 0.04 0.96 -0.24 0.00 1.68 0.00 0.00 54.58 57.01 1x86 n ASN 41 Cb 0.54 -1.54 -0.14 0.00 -1.54 0.00 0.00 39.78 37.11 1x86 n ASN 41 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1x86 s TYR 42 N 3.33 1.67 -0.28 3.10 5.04 -0.99 -5.00 117.35 124.22 1x86 s TYR 42 Ca 0.84 -0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 55.03 1x86 s TYR 42 Cb -0.47 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 40.84 1x86 s TYR 42 CO 0.39 0.08 0.09 0.08 -1.34 0.00 0.00 175.55 174.85 1x86 s VAL 43 N -0.82 4.17 0.11 3.14 1.01 -1.26 -0.05 120.40 126.71 1x86 s VAL 43 Ca 0.06 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1x86 s VAL 43 Cb -0.09 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1x86 s VAL 43 CO 0.02 0.17 0.10 0.00 0.00 0.00 0.00 175.10 175.38 1x86 s ALA 44 N 1.56 3.55 0.01 5.51 0.00 -0.70 -4.91 121.76 126.77 1x86 s ALA 44 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1x86 s ALA 44 Cb -0.16 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1x86 s ALA 44 CO 0.03 0.65 0.07 -0.51 0.00 0.00 0.00 175.76 176.00 1x86 s ASP 45 N -2.67 5.57 -0.19 0.00 -0.00 -1.26 0.15 116.67 118.27 1x86 s ASP 45 Ca 0.30 0.10 -0.27 0.00 -0.00 0.00 0.00 52.55 52.67 1x86 s ASP 45 Cb -0.11 -1.56 0.07 0.00 -0.00 0.00 0.00 42.92 41.32 1x86 s ASP 45 CO 0.22 0.26 0.70 -0.51 -0.00 0.00 0.00 175.17 175.84 1x86 s ILE 46 N -1.21 0.00 -0.13 0.77 2.07 0.08 -4.95 121.20 117.82 1x86 s ILE 46 Ca 0.24 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1x86 s ILE 46 Cb -0.12 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1x86 s ILE 46 CO 0.15 -0.00 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.46 1x86 s GLU 47 N -0.20 3.46 -0.12 3.50 2.12 -1.26 -0.14 118.70 126.07 1x86 s GLU 47 Ca -0.04 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.76 1x86 s GLU 47 Cb -0.03 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 31.52 1x86 s GLU 47 CO 0.04 0.40 0.27 0.08 -0.54 0.00 0.00 175.26 175.52 1x86 s VAL 48 N -0.06 -0.12 -1.14 3.70 1.01 -1.12 -4.84 120.40 117.84 1x86 s VAL 48 Ca 0.03 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1x86 s VAL 48 Cb -0.13 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1x86 s VAL 48 CO 0.02 0.07 0.39 0.47 0.00 0.00 0.00 175.10 176.05 1x86 n ASP 49 N 4.46 -2.10 -3.41 3.32 10.43 -1.26 -2.24 116.55 125.75 1x86 n ASP 49 Ca -0.21 -1.12 -0.21 0.00 2.57 0.00 0.00 54.79 55.82 1x86 n ASP 49 Cb 0.53 -1.35 0.08 0.00 1.84 0.00 0.00 41.12 42.21 1x86 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x86 n GLY 50 N -2.08 -0.43 2.74 0.44 0.00 -1.26 -5.00 105.19 99.59 1x86 n GLY 50 Ca -0.15 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1x86 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x86 s LYS 51 N -5.95 0.01 0.22 1.61 1.02 -0.95 -5.12 119.74 110.57 1x86 s LYS 51 Ca 0.38 0.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1x86 s LYS 51 Cb -0.17 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.39 1x86 s LYS 51 CO 0.69 -0.40 1.38 -0.65 -0.92 0.00 0.00 175.35 175.46 1x86 s GLN 52 N 2.23 4.33 -0.01 1.68 -1.52 -1.26 -2.79 119.66 122.31 1x86 s GLN 52 Ca 0.04 2.18 -0.04 0.00 -1.95 0.00 0.00 55.36 55.58 1x86 s GLN 52 Cb -0.13 -3.16 -0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1x86 s GLN 52 CO -0.06 -0.35 0.09 0.08 -0.25 0.00 0.00 175.29 174.80 1x86 s VAL 53 N 0.14 0.07 -0.32 1.09 1.01 0.81 -4.38 120.40 118.81 1x86 s VAL 53 Ca 0.59 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 1x86 s VAL 53 Cb -0.39 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1x86 s VAL 53 CO 0.40 -0.30 0.10 -1.61 0.00 0.00 0.00 175.10 173.69 1x86 s GLU 54 N -0.98 2.82 -0.61 2.72 2.02 0.17 -0.74 118.70 124.10 1x86 s GLU 54 Ca -0.11 -1.04 -0.20 0.00 0.02 0.00 0.00 54.97 53.64 1x86 s GLU 54 Cb -0.06 -3.45 0.09 0.00 0.10 0.00 0.00 34.13 30.81 1x86 s GLU 54 CO 0.01 -0.58 0.79 -0.51 0.02 0.00 0.00 175.26 174.98 1x86 s LEU 55 N 1.45 4.99 -0.51 1.80 1.02 0.12 -1.72 118.68 125.84 1x86 s LEU 55 Ca 0.00 -1.22 -0.26 0.00 0.02 0.00 0.00 54.13 52.68 1x86 s LEU 55 Cb -0.19 -2.37 -0.08 0.00 0.02 0.00 0.00 46.19 43.58 1x86 s LEU 55 CO 0.03 -1.21 2.43 0.00 0.02 0.00 0.00 176.35 177.62 1x86 n ALA 56 N 6.80 0.77 -2.67 4.21 0.00 -0.62 -1.73 120.51 127.28 1x86 n ALA 56 Ca -0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 1x86 n ALA 56 Cb 0.44 -3.17 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 1x86 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x86 s LEU 57 N 12.10 4.18 -0.19 0.00 1.43 0.93 -0.97 118.68 136.16 1x86 s LEU 57 Ca 1.00 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1x86 s LEU 57 Cb -0.22 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1x86 s LEU 57 CO 0.27 -0.38 -0.07 0.26 0.23 0.00 0.00 176.35 176.66 1x86 s TRP 58 N 2.05 2.93 0.73 0.29 0.52 -1.12 -2.35 118.94 121.98 1x86 s TRP 58 Ca 0.38 -0.78 -0.11 0.00 0.02 0.00 0.00 56.10 55.61 1x86 s TRP 58 Cb -0.17 -2.01 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1x86 s TRP 58 CO 0.13 -0.39 1.09 0.34 0.02 0.00 0.00 176.95 178.14 1x86 s ASP 59 N 1.02 5.24 -0.37 2.95 -1.08 -1.26 -2.13 116.67 121.04 1x86 s ASP 59 Ca 0.00 1.19 0.13 0.00 -0.52 0.00 0.00 52.55 53.35 1x86 s ASP 59 Cb -0.15 -1.98 0.42 0.00 -1.46 0.00 0.00 42.92 39.75 1x86 s ASP 59 CO -0.00 -1.48 1.13 0.35 0.52 0.00 0.00 175.17 175.69 1x86 n THR 60 N -3.11 0.43 -3.95 1.71 -2.24 -1.25 -4.84 114.28 101.03 1x86 n THR 60 Ca 0.07 -2.35 -0.35 0.00 -2.27 0.00 0.00 64.05 59.15 1x86 n THR 60 Cb 0.57 0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 1x86 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x86 s ALA 61 N -1.41 3.06 0.00 6.98 0.00 -1.26 -4.01 121.76 125.12 1x86 s ALA 61 Ca 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1x86 s ALA 61 Cb 0.42 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1x86 s ALA 61 CO -0.03 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1x86 n GLY 62 N 4.48 0.64 0.83 0.00 0.00 -1.26 -4.92 105.19 104.96 1x86 n GLY 62 Ca -0.17 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1x86 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x86 n GLN 63 N -2.64 1.88 0.28 1.61 6.02 -1.26 -4.74 117.38 118.52 1x86 n GLN 63 Ca 0.00 -1.73 0.16 0.00 -0.01 0.00 0.00 57.00 55.42 1x86 n GLN 63 Cb 0.00 -1.40 0.76 0.00 1.02 0.00 0.00 30.24 30.62 1x86 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1x86 h GLU 64 N 4.07 0.00 -0.17 -1.09 3.07 -1.91 -2.36 114.58 116.19 1x86 h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x86 h GLU 64 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1x86 h GLU 64 CO 0.00 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 1x86 n ASP 65 N -3.25 2.71 -2.35 1.42 9.92 -1.26 -4.71 116.55 119.02 1x86 n ASP 65 Ca -0.01 -1.79 -0.28 0.00 -0.53 0.00 0.00 54.79 52.19 1x86 n ASP 65 Cb 0.27 -0.10 0.02 0.00 -0.64 0.00 0.00 41.12 40.66 1x86 n ASP 65 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1x86 n TYR 66 N 0.98 3.14 0.00 1.24 4.01 -0.89 -4.97 117.16 120.67 1x86 n TYR 66 Ca 0.12 -2.73 0.00 0.00 -0.16 0.00 0.00 57.90 55.13 1x86 n TYR 66 Cb 0.45 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1x86 n TYR 66 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1x86 n ASP 67 N -0.59 0.00 -0.00 7.72 10.43 -1.26 0.69 116.55 133.53 1x86 n ASP 67 Ca 0.44 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.88 1x86 n ASP 67 Cb 0.73 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.57 1x86 n ASP 67 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1x86 n ARG 68 N 0.00 0.87 0.00 -1.24 3.00 -1.26 -4.34 116.66 113.69 1x86 n ARG 68 Ca 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 57.85 57.58 1x86 n ARG 68 Cb 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 32.46 30.95 1x86 n ARG 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1x86 h LEU 69 N 0.00 0.29 -0.92 6.15 3.38 -0.11 -3.39 115.31 120.70 1x86 h LEU 69 Ca 0.00 -0.94 0.18 0.00 0.09 0.00 0.00 57.88 57.20 1x86 h LEU 69 Cb 0.64 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 1x86 h LEU 69 CO 0.00 1.21 -0.26 -1.14 0.09 0.00 0.00 178.44 178.35 1x86 n ARG 70 N -4.33 -0.11 0.00 1.13 0.63 -1.19 0.01 116.66 112.80 1x86 n ARG 70 Ca -0.12 1.43 0.06 0.00 -0.92 0.00 0.00 57.85 58.30 1x86 n ARG 70 Cb 0.67 -2.14 0.30 0.00 0.45 0.00 0.00 32.46 31.74 1x86 n ARG 70 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1x86 n PRO 71 N -5.47 0.10 0.22 -0.14 -0.04 -1.26 -2.64 135.00 125.77 1x86 n PRO 71 Ca 0.14 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.97 1x86 n PRO 71 Cb 0.44 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.14 1x86 n PRO 71 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1x86 h LEU 72 N 0.00 0.00 -0.24 1.53 3.38 -0.66 -2.21 115.31 117.11 1x86 h LEU 72 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1x86 h LEU 72 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x86 h LEU 72 CO 0.00 0.00 -0.89 0.28 0.09 0.00 0.00 178.44 177.92 1x86 h SER 73 N 0.00 0.42 0.93 -0.43 0.02 -1.69 -3.39 113.55 109.41 1x86 h SER 73 Ca 0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1x86 h SER 73 Cb 0.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1x86 h SER 73 CO 0.00 1.12 0.00 -1.22 -1.14 0.00 0.00 176.83 175.59 1x86 n TYR 74 N -3.72 0.63 -1.37 3.45 4.01 -0.83 -4.81 117.16 114.51 1x86 n TYR 74 Ca -0.05 0.22 -0.33 0.00 -0.16 0.00 0.00 57.90 57.58 1x86 n TYR 74 Cb 0.81 -0.86 0.09 0.00 -0.31 0.00 0.00 39.34 39.08 1x86 n TYR 74 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1x86 s PRO 75 N -3.17 2.13 -1.15 -0.72 0.02 -1.26 -2.67 135.00 128.18 1x86 s PRO 75 Ca 0.08 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1x86 s PRO 75 Cb 0.11 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1x86 s PRO 75 CO 0.44 -1.80 0.00 -0.25 -0.33 0.00 0.00 177.00 175.06 1x86 n ASP 76 N -2.99 -2.92 -4.77 2.53 9.92 -1.26 -4.91 116.55 112.15 1x86 n ASP 76 Ca 0.12 0.27 -0.39 0.00 -0.53 0.00 0.00 54.79 54.25 1x86 n ASP 76 Cb 0.51 -2.79 -0.02 0.00 -0.64 0.00 0.00 41.12 38.18 1x86 n ASP 76 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x86 s THR 77 N -1.96 2.99 -0.21 -3.53 2.01 -1.09 -4.63 115.64 109.21 1x86 s THR 77 Ca 0.00 0.90 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1x86 s THR 77 Cb 0.00 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 1x86 s THR 77 CO 0.00 0.15 0.22 0.47 -0.69 0.00 0.00 174.62 174.77 1x86 n ASP 78 N 0.44 1.02 -3.62 3.53 8.00 0.71 -4.95 116.55 121.67 1x86 n ASP 78 Ca 0.02 -0.49 -0.10 0.00 0.71 0.00 0.00 54.79 54.93 1x86 n ASP 78 Cb 0.44 1.06 -0.07 0.00 -0.02 0.00 0.00 41.12 42.54 1x86 n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x86 s VAL 79 N -1.73 0.00 -0.18 2.53 0.11 -1.18 -4.40 120.40 115.55 1x86 s VAL 79 Ca 0.01 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1x86 s VAL 79 Cb 0.04 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1x86 s VAL 79 CO 0.24 0.00 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.25 1x86 s ILE 80 N -0.05 1.69 -0.48 7.04 1.01 -0.07 -3.31 121.20 127.03 1x86 s ILE 80 Ca 0.02 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1x86 s ILE 80 Cb -0.04 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.79 1x86 s ILE 80 CO -0.04 0.32 1.13 -0.76 0.00 0.00 0.00 174.94 175.59 1x86 s LEU 81 N 1.40 3.64 0.24 2.97 1.43 -1.11 0.34 118.68 127.59 1x86 s LEU 81 Ca 0.02 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1x86 s LEU 81 Cb -0.15 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1x86 s LEU 81 CO -0.10 -1.26 0.40 -0.32 0.23 0.00 0.00 176.35 175.31 1x86 s MET 82 N 4.45 3.47 0.01 1.70 1.75 -1.14 -1.72 119.30 127.83 1x86 s MET 82 Ca 0.47 -0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 54.17 1x86 s MET 82 Cb -0.07 -2.83 0.07 0.00 2.84 0.00 0.00 34.83 34.84 1x86 s MET 82 CO 0.31 0.37 1.00 0.00 -0.65 0.00 0.00 175.02 176.05 1x86 n PHE 84 N -0.72 -0.70 -3.91 0.00 -1.74 -0.98 -4.19 117.46 105.22 1x86 n PHE 84 Ca 0.03 -1.99 -0.35 0.00 -0.56 0.00 0.00 57.45 54.58 1x86 n PHE 84 Cb 0.47 0.25 -0.14 0.00 1.52 0.00 0.00 39.48 41.58 1x86 n PHE 84 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1x86 s SER 85 N -2.68 4.48 0.61 5.98 0.15 -1.26 -1.51 113.70 119.46 1x86 s SER 85 Ca 0.28 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1x86 s SER 85 Cb 0.01 -1.72 0.06 0.00 -1.71 0.00 0.00 66.02 62.65 1x86 s SER 85 CO 0.20 -0.12 0.99 0.40 1.20 0.00 0.00 173.24 175.91 1x86 h ILE 86 N 5.99 0.00 -0.18 6.45 1.08 -1.49 0.87 117.51 130.23 1x86 h ILE 86 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1x86 h ILE 86 Cb 1.12 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1x86 h ILE 86 CO 0.59 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.15 1x86 n ASP 87 N -2.40 2.12 -3.45 1.72 5.75 -1.26 0.13 116.55 119.16 1x86 n ASP 87 Ca -0.00 -1.76 -0.26 0.00 -0.01 0.00 0.00 54.79 52.75 1x86 n ASP 87 Cb 0.94 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 40.80 1x86 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x86 s SER 88 N -1.64 2.69 0.50 -1.12 0.15 0.30 -4.78 113.70 109.80 1x86 s SER 88 Ca 0.34 -1.86 0.22 0.00 0.70 0.00 0.00 55.95 55.35 1x86 s SER 88 Cb 0.19 -0.18 1.33 0.00 -1.71 0.00 0.00 66.02 65.65 1x86 s SER 88 CO 0.29 -0.33 2.07 1.55 1.20 0.00 0.00 173.24 178.02 1x86 h PRO 89 N 7.32 0.00 -0.52 5.44 0.13 -1.82 -1.00 132.00 141.56 1x86 h PRO 89 Ca 0.01 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.24 1x86 h PRO 89 Cb 1.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.03 1x86 h PRO 89 CO 0.28 0.12 -0.14 -0.44 -0.23 0.00 0.00 178.00 177.60 1x86 h ASP 90 N 0.00 -0.51 0.67 1.44 3.45 -1.93 0.28 116.42 119.82 1x86 h ASP 90 Ca -0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1x86 h ASP 90 Cb 0.27 0.33 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1x86 h ASP 90 CO 0.02 -0.18 0.00 0.77 -1.57 0.00 0.00 179.24 178.28 1x86 h SER 91 N -0.01 0.00 0.00 6.45 4.64 -1.52 -2.82 113.55 120.29 1x86 h SER 91 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1x86 h SER 91 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1x86 h SER 91 CO -0.54 0.00 -0.07 0.25 -0.87 0.00 0.00 176.83 175.60 1x86 h LEU 92 N 0.00 0.00 0.00 5.97 5.85 -0.48 -3.29 115.31 123.35 1x86 h LEU 92 Ca 0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1x86 h LEU 92 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1x86 h LEU 92 CO 0.00 0.99 0.03 -0.62 -0.34 0.00 0.00 178.44 178.50 1x86 n GLU 93 N -4.61 0.00 -0.00 1.25 1.02 0.70 -0.54 120.64 118.45 1x86 n GLU 93 Ca -0.11 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1x86 n GLU 93 Cb 0.46 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.22 1x86 n GLU 93 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x86 n ASN 94 N -0.96 0.73 -0.01 1.62 3.02 -1.21 -4.10 115.26 114.35 1x86 n ASN 94 Ca 0.00 -0.69 -0.11 0.00 -0.03 0.00 0.00 54.58 53.75 1x86 n ASN 94 Cb 0.03 1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 40.43 1x86 n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1x86 h ILE 95 N 0.00 1.11 -0.00 2.41 1.08 -0.98 -0.19 117.51 120.94 1x86 h ILE 95 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1x86 h ILE 95 Cb 0.63 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1x86 h ILE 95 CO 0.00 0.10 -0.59 -0.81 -0.69 0.00 0.00 178.15 176.16 1x86 n PRO 96 N -4.95 0.11 -0.01 2.37 -0.04 -1.26 -0.17 135.00 131.05 1x86 n PRO 96 Ca -0.05 -0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1x86 n PRO 96 Cb 0.09 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 1x86 n PRO 96 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x86 n GLU 97 N -1.38 0.66 -0.01 0.54 2.13 -1.20 -4.49 120.64 116.88 1x86 n GLU 97 Ca 0.06 -0.10 -0.06 0.00 0.66 0.00 0.00 57.16 57.73 1x86 n GLU 97 Cb 0.34 -1.30 -0.02 0.00 0.27 0.00 0.00 31.44 30.73 1x86 n GLU 97 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1x86 n LYS 98 N -2.02 0.17 -0.04 5.31 4.81 -0.16 -4.81 118.16 121.44 1x86 n LYS 98 Ca -0.05 0.07 -0.16 0.00 -0.87 0.00 0.00 58.31 57.30 1x86 n LYS 98 Cb 0.42 -0.79 -0.13 0.00 0.02 0.00 0.00 35.03 34.54 1x86 n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1x86 h TRP 99 N -0.30 0.16 0.46 5.64 4.06 -1.34 -3.15 115.95 121.48 1x86 h TRP 99 Ca -0.09 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 1x86 h TRP 99 Cb 0.69 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 1x86 h TRP 99 CO -0.09 1.08 -0.37 1.15 -3.56 0.00 0.00 178.44 176.65 1x86 h THR 100 N -0.80 0.24 -0.81 1.49 2.02 -0.80 0.36 112.91 114.60 1x86 h THR 100 Ca -0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.30 1x86 h THR 100 Cb 1.17 0.24 -0.15 0.00 -1.74 0.00 0.00 68.15 67.67 1x86 h THR 100 CO 0.04 0.00 -0.22 -2.65 0.37 0.00 0.00 175.52 173.06 1x86 n PRO 101 N -5.49 -0.09 0.07 6.66 -0.02 -1.26 -0.57 135.00 134.30 1x86 n PRO 101 Ca -0.11 1.26 -0.14 0.00 -2.02 0.00 0.00 63.50 62.50 1x86 n PRO 101 Cb 0.38 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1x86 n PRO 101 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1x86 h GLU 102 N 0.00 0.18 0.00 -0.52 4.11 -1.38 -3.30 114.58 113.68 1x86 h GLU 102 Ca 0.37 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1x86 h GLU 102 Cb 0.57 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1x86 h GLU 102 CO -0.83 1.08 -0.46 -0.24 0.07 0.00 0.00 179.01 178.63 1x86 h VAL 103 N 0.05 0.00 0.00 -1.06 3.04 0.97 -2.41 116.25 116.84 1x86 h VAL 103 Ca -0.16 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1x86 h VAL 103 Cb 1.95 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 1x86 h VAL 103 CO 0.16 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.83 1x86 h LYS 104 N 0.00 0.00 0.00 4.17 1.79 -0.95 -2.51 116.57 119.06 1x86 h LYS 104 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 1x86 h LYS 104 Cb 0.90 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.52 1x86 h LYS 104 CO 0.00 0.00 -1.08 1.25 -1.08 0.00 0.00 179.45 178.54 1x86 h HIS 105 N 0.00 0.00 0.00 -1.35 2.76 -1.55 -3.20 115.15 111.81 1x86 h HIS 105 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1x86 h HIS 105 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1x86 h HIS 105 CO 0.00 1.39 -0.93 1.19 -1.30 0.00 0.00 177.93 178.28 1x86 n PHE 106 N -4.46 0.31 -3.44 5.26 3.72 -0.94 -4.28 117.46 113.63 1x86 n PHE 106 Ca -0.29 0.09 -0.26 0.00 -0.05 0.00 0.00 57.45 56.94 1x86 n PHE 106 Cb 0.64 -0.46 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1x86 n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x86 s PRO 108 N -1.29 4.75 -1.18 0.00 0.02 -1.21 -3.72 135.00 132.37 1x86 s PRO 108 Ca 0.34 1.37 -0.09 0.00 0.02 0.00 0.00 61.00 62.64 1x86 s PRO 108 Cb 0.09 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1x86 s PRO 108 CO -0.12 0.54 0.79 0.09 -0.33 0.00 0.00 177.00 177.97 1x86 n ASN 109 N 1.53 -3.94 -3.76 2.53 3.02 -1.26 -5.01 115.26 108.36 1x86 n ASN 109 Ca -0.03 -0.86 -0.26 0.00 -0.03 0.00 0.00 54.58 53.40 1x86 n ASN 109 Cb 0.48 -4.13 -0.17 0.00 -0.61 0.00 0.00 39.78 35.35 1x86 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x86 s VAL 110 N -3.53 0.51 0.18 2.41 1.01 -1.24 -5.09 120.40 114.66 1x86 s VAL 110 Ca 0.28 -0.28 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 1x86 s VAL 110 Cb -0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 36.38 35.35 1x86 s VAL 110 CO 0.81 0.02 1.63 -2.16 0.00 0.00 0.00 175.10 175.40 1x86 s PRO 111 N 1.89 4.18 -0.15 2.72 0.04 -1.26 -4.68 135.00 137.74 1x86 s PRO 111 Ca 0.02 2.47 -0.09 0.00 0.04 0.00 0.00 61.00 63.43 1x86 s PRO 111 Cb -0.15 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1x86 s PRO 111 CO -0.07 -0.67 0.16 0.42 0.04 0.00 0.00 177.00 176.88 1x86 s ILE 112 N 1.16 5.44 -0.64 0.56 1.01 -1.26 -0.89 121.20 126.58 1x86 s ILE 112 Ca 0.72 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.59 1x86 s ILE 112 Cb -0.46 -3.46 0.16 0.00 0.01 0.00 0.00 42.46 38.72 1x86 s ILE 112 CO 0.31 0.53 0.46 -0.63 0.00 0.00 0.00 174.94 175.61 1x86 s ILE 113 N -0.36 3.81 0.13 2.92 -1.09 0.15 -0.32 121.20 126.44 1x86 s ILE 113 Ca 0.13 -2.95 -0.33 0.00 -2.23 0.00 0.00 60.65 55.27 1x86 s ILE 113 Cb -0.12 -3.47 -0.12 0.00 -1.58 0.00 0.00 42.46 37.16 1x86 s ILE 113 CO 0.02 -0.89 1.72 -0.11 -1.23 0.00 0.00 174.94 174.45 1x86 n LEU 114 N 3.50 3.59 -4.23 2.97 7.94 -0.99 -2.87 117.00 126.92 1x86 n LEU 114 Ca 0.08 1.04 -0.30 0.00 -1.11 0.00 0.00 56.01 55.72 1x86 n LEU 114 Cb 0.38 -1.48 -0.16 0.00 0.53 0.00 0.00 43.42 42.69 1x86 n LEU 114 CO 0.34 -0.03 -0.55 -0.69 -1.11 0.00 0.00 177.39 175.35 1x86 s VAL 115 N 1.88 1.89 -0.44 1.96 1.01 -0.12 -2.16 120.40 124.43 1x86 s VAL 115 Ca 0.81 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1x86 s VAL 115 Cb -0.59 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1x86 s VAL 115 CO 0.38 0.53 0.38 -0.83 0.00 0.00 0.00 175.10 175.56 1x86 s GLY 116 N -0.10 1.99 0.54 4.51 0.00 -0.21 -2.33 107.32 111.72 1x86 s GLY 116 Ca -0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 1x86 s GLY 116 CO 0.03 1.05 0.80 0.21 0.00 0.00 0.00 173.10 175.19 1x86 s ASN 117 N 2.14 5.46 -1.51 1.64 3.84 -0.57 -1.17 114.94 124.77 1x86 s ASN 117 Ca 0.06 0.29 -0.08 0.00 0.21 0.00 0.00 52.86 53.34 1x86 s ASN 117 Cb -0.21 -1.28 0.07 0.00 -0.55 0.00 0.00 41.25 39.28 1x86 s ASN 117 CO 0.09 -1.04 0.67 0.29 -2.79 0.00 0.00 177.10 174.32 1x86 n LYS 118 N -2.38 -3.84 -0.35 0.43 5.02 -1.02 -1.44 118.16 114.59 1x86 n LYS 118 Ca 0.05 0.45 0.25 0.00 -2.02 0.00 0.00 58.31 57.05 1x86 n LYS 118 Cb 0.59 -4.95 0.50 0.00 -0.02 0.00 0.00 35.03 31.15 1x86 n LYS 118 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1x86 h LYS 119 N -1.79 0.30 0.00 1.97 3.64 -1.73 -2.79 116.57 116.18 1x86 h LYS 119 Ca -0.61 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.72 1x86 h LYS 119 Cb 1.38 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1x86 h LYS 119 CO 0.68 0.20 -0.16 0.38 -2.27 0.00 0.00 179.45 178.28 1x86 h ASP 120 N 0.31 0.00 -0.15 4.20 2.03 -1.88 -2.51 116.42 118.42 1x86 h ASP 120 Ca 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.02 1x86 h ASP 120 Cb 1.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.27 1x86 h ASP 120 CO -0.52 0.16 0.00 0.18 -1.03 0.00 0.00 179.24 178.02 1x86 n LEU 121 N -3.79 1.09 -0.08 0.15 4.77 -1.05 -3.55 117.00 114.53 1x86 n LEU 121 Ca -0.02 -0.50 0.09 0.00 -0.03 0.00 0.00 56.01 55.55 1x86 n LEU 121 Cb 0.26 -0.10 0.45 0.00 -2.33 0.00 0.00 43.42 41.70 1x86 n LEU 121 CO 0.32 0.25 1.19 -0.09 -1.33 0.00 0.00 177.39 177.72 1x86 h ARG 122 N 1.32 0.50 -0.12 3.23 2.43 -1.63 -3.04 114.38 117.08 1x86 h ARG 122 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1x86 h ARG 122 Cb 0.30 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1x86 h ARG 122 CO 0.00 0.33 0.00 0.09 -1.51 0.00 0.00 179.97 178.88 1x86 n ASN 123 N -4.48 2.65 -4.66 -3.80 3.02 -1.23 -4.84 115.26 101.92 1x86 n ASN 123 Ca 0.08 -2.53 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 1x86 n ASN 123 Cb 0.26 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1x86 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x86 s ASP 124 N -1.76 6.78 0.14 6.41 -1.08 -1.15 -4.92 116.67 121.09 1x86 s ASP 124 Ca 0.22 2.03 -0.18 0.00 -0.52 0.00 0.00 52.55 54.11 1x86 s ASP 124 Cb 0.18 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 1x86 s ASP 124 CO 0.06 -0.86 1.77 -0.33 0.52 0.00 0.00 175.17 176.33 1x86 h GLU 125 N 8.97 0.44 -0.89 4.34 4.39 -1.92 -0.82 114.58 129.08 1x86 h GLU 125 Ca -0.34 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.44 1x86 h GLU 125 Cb 1.15 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 1x86 h GLU 125 CO 0.96 0.32 0.52 1.25 -1.16 0.00 0.00 179.01 180.90 1x86 h HIS 126 N 0.42 0.93 0.48 4.33 2.76 -1.97 0.29 115.15 122.38 1x86 h HIS 126 Ca 0.12 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1x86 h HIS 126 Cb -0.00 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.68 1x86 h HIS 126 CO -0.04 0.32 -0.23 1.15 -1.30 0.00 0.00 177.93 177.83 1x86 h THR 127 N 0.80 0.00 -0.89 6.26 2.02 -1.78 -2.91 112.91 116.41 1x86 h THR 127 Ca 0.46 -0.03 0.22 0.00 0.77 0.00 0.00 66.41 67.82 1x86 h THR 127 Cb 0.52 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.76 1x86 h THR 127 CO -0.29 0.00 -0.07 -1.14 0.37 0.00 0.00 175.52 174.39 1x86 n ARG 128 N -3.82 -0.07 0.00 6.66 0.63 -0.35 -2.07 116.66 117.64 1x86 n ARG 128 Ca -0.08 1.36 0.00 0.00 -0.92 0.00 0.00 57.85 58.21 1x86 n ARG 128 Cb 0.25 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1x86 n ARG 128 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x86 n ARG 129 N -5.36 0.00 -0.38 -0.14 1.74 0.05 -1.47 116.66 111.09 1x86 n ARG 129 Ca 0.19 0.30 0.37 0.00 -0.77 0.00 0.00 57.85 57.93 1x86 n ARG 129 Cb 0.60 -1.13 0.74 0.00 -1.02 0.00 0.00 32.46 31.65 1x86 n ARG 129 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x86 h GLU 130 N 0.00 0.03 -0.05 5.56 4.39 -1.21 1.43 114.58 124.74 1x86 h GLU 130 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1x86 h GLU 130 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1x86 h GLU 130 CO 0.00 0.02 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.76 1x86 h LEU 131 N 0.03 0.11 -0.71 1.33 3.38 -1.50 -2.72 115.31 115.23 1x86 h LEU 131 Ca 0.63 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1x86 h LEU 131 Cb 2.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.17 1x86 h LEU 131 CO -0.04 0.56 0.07 0.00 0.09 0.00 0.00 178.44 179.13 1x86 n ALA 132 N -2.36 0.91 1.09 1.53 0.00 0.48 0.11 120.51 122.26 1x86 n ALA 132 Ca -0.08 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1x86 n ALA 132 Cb 0.28 -1.04 0.30 0.00 0.00 0.00 0.00 19.45 18.98 1x86 n ALA 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x86 n LYS 133 N -1.86 1.77 -0.11 0.00 5.02 -0.47 -3.20 118.16 119.31 1x86 n LYS 133 Ca -0.01 -1.17 0.09 0.00 -2.02 0.00 0.00 58.31 55.20 1x86 n LYS 133 Cb 0.09 -1.35 0.13 0.00 -0.02 0.00 0.00 35.03 33.87 1x86 n LYS 133 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1x86 n MET 134 N 0.41 1.17 -3.34 1.97 2.81 0.30 -4.97 117.12 115.48 1x86 n MET 134 Ca 0.15 -2.43 -0.24 0.00 -1.81 0.00 0.00 57.70 53.37 1x86 n MET 134 Cb 0.32 -1.40 0.03 0.00 -0.71 0.00 0.00 33.22 31.45 1x86 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x86 n LYS 135 N -1.30 -4.83 -4.46 0.03 4.76 -1.11 -4.99 118.16 106.26 1x86 n LYS 135 Ca 0.14 0.71 -0.22 0.00 -2.87 0.00 0.00 58.31 56.07 1x86 n LYS 135 Cb 0.64 -5.55 -0.11 0.00 -1.84 0.00 0.00 35.03 28.18 1x86 n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x86 s GLN 136 N -6.02 1.65 0.06 1.97 -0.21 -0.10 -4.95 119.66 112.06 1x86 s GLN 136 Ca 0.42 -1.89 -0.19 0.00 0.02 0.00 0.00 55.36 53.73 1x86 s GLN 136 Cb -0.20 -1.07 0.04 0.00 1.00 0.00 0.00 33.01 32.77 1x86 s GLN 136 CO 0.52 -0.08 0.44 -1.83 -2.12 0.00 0.00 175.29 172.22 1x86 s GLU 137 N -3.80 0.97 0.78 2.91 -1.05 -1.26 -1.27 118.70 115.98 1x86 s GLU 137 Ca 0.33 -0.38 -0.14 0.00 -0.15 0.00 0.00 54.97 54.63 1x86 s GLU 137 Cb 0.07 0.44 0.07 0.00 -0.44 0.00 0.00 34.13 34.26 1x86 s GLU 137 CO 0.14 -0.35 1.20 -2.30 0.95 0.00 0.00 175.26 174.90 1x86 n PRO 138 N 0.37 0.32 -2.13 -4.83 -0.02 -1.26 -4.62 135.00 122.84 1x86 n PRO 138 Ca -0.18 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 1x86 n PRO 138 Cb 0.60 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1x86 n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x86 s VAL 139 N -2.01 2.77 0.36 -1.45 1.01 0.12 -4.99 120.40 116.21 1x86 s VAL 139 Ca 0.75 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1x86 s VAL 139 Cb -0.31 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1x86 s VAL 139 CO 0.49 0.13 0.58 -0.54 0.00 0.00 0.00 175.10 175.76 1x86 s LYS 140 N -2.04 3.49 0.29 2.72 1.02 -1.26 -4.90 119.74 119.06 1x86 s LYS 140 Ca 0.53 -0.27 0.25 0.00 0.02 0.00 0.00 55.97 56.50 1x86 s LYS 140 Cb -0.37 -2.63 1.03 0.00 -0.52 0.00 0.00 37.83 35.34 1x86 s LYS 140 CO 0.49 0.10 1.75 -1.00 -0.92 0.00 0.00 175.35 175.77 1x86 h PRO 141 N 0.69 0.00 0.19 -1.68 0.13 -2.00 -2.44 132.00 126.88 1x86 h PRO 141 Ca -0.49 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 1x86 h PRO 141 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1x86 h PRO 141 CO 0.61 0.00 -1.27 0.93 -0.23 0.00 0.00 178.00 178.04 1x86 h GLU 142 N 0.00 0.40 0.08 0.86 5.08 -1.97 -1.94 114.58 117.10 1x86 h GLU 142 Ca 0.00 -0.68 0.02 0.00 -1.00 0.00 0.00 59.36 57.70 1x86 h GLU 142 Cb 0.39 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1x86 h GLU 142 CO 0.00 1.33 -0.41 1.49 -1.00 0.00 0.00 179.01 180.42 1x86 h GLU 143 N -0.11 -0.59 -0.54 2.33 4.81 -1.85 -0.47 114.58 118.17 1x86 h GLU 143 Ca -0.23 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1x86 h GLU 143 Cb 1.92 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.40 1x86 h GLU 143 CO 0.19 -0.40 0.34 0.78 -0.73 0.00 0.00 179.01 179.19 1x86 h GLY 144 N -0.62 0.76 2.00 1.92 0.00 -1.61 0.53 103.07 106.05 1x86 h GLY 144 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1x86 h GLY 144 CO -0.26 0.23 0.00 3.21 0.00 0.00 0.00 176.54 179.72 1x86 h ARG 145 N 0.67 0.00 0.00 4.80 3.08 -0.92 0.13 114.38 122.14 1x86 h ARG 145 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1x86 h ARG 145 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1x86 h ARG 145 CO -0.08 0.00 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.15 1x86 h ASP 146 N 0.00 0.00 -1.45 7.04 3.32 0.20 -3.36 116.42 122.17 1x86 h ASP 146 Ca 0.00 0.00 0.46 0.00 0.02 0.00 0.00 57.03 57.51 1x86 h ASP 146 Cb 0.13 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.57 1x86 h ASP 146 CO 0.00 0.46 0.97 -0.03 -1.72 0.00 0.00 179.24 178.92 1x86 h MET 147 N -0.68 0.06 -0.08 3.56 4.05 0.41 1.37 114.93 123.61 1x86 h MET 147 Ca 0.00 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1x86 h MET 147 Cb 0.24 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1x86 h MET 147 CO 0.00 0.04 -0.55 0.00 0.23 0.00 0.00 176.91 176.63 1x86 h ALA 148 N 1.47 0.93 0.70 0.39 0.00 -0.95 -1.23 119.26 120.57 1x86 h ALA 148 Ca 0.84 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1x86 h ALA 148 Cb 2.82 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 20.53 1x86 h ALA 148 CO -0.32 0.69 -0.33 -0.91 0.00 0.00 0.00 179.25 178.38 1x86 h ASN 149 N 0.17 -0.79 -0.90 0.00 4.21 0.17 0.62 115.58 119.06 1x86 h ASN 149 Ca 0.00 0.03 0.25 0.00 1.21 0.00 0.00 56.30 57.78 1x86 h ASN 149 Cb 1.02 0.21 -0.14 0.00 -1.12 0.00 0.00 38.32 38.28 1x86 h ASN 149 CO 0.08 -0.43 0.25 -0.09 -1.29 0.00 0.00 177.43 175.96 1x86 h ARG 150 N -1.22 0.20 0.00 0.81 2.43 -1.27 0.24 114.38 115.58 1x86 h ARG 150 Ca -0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1x86 h ARG 150 Cb 0.72 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1x86 h ARG 150 CO 0.16 0.13 -0.14 -0.84 -1.51 0.00 0.00 179.97 177.77 1x86 h ILE 151 N 0.20 0.25 0.00 1.20 3.07 -1.34 -3.47 117.51 117.43 1x86 h ILE 151 Ca 0.57 -1.26 0.00 0.00 1.55 0.00 0.00 64.86 65.72 1x86 h ILE 151 Cb 1.18 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 1x86 h ILE 151 CO -0.67 0.14 0.00 0.61 -1.05 0.00 0.00 178.15 177.18 1x86 n GLY 152 N 0.95 1.49 3.69 0.16 0.00 0.07 -5.07 105.19 106.49 1x86 n GLY 152 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1x86 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 153 N -2.00 1.04 -0.12 4.61 0.00 0.20 -4.79 121.76 120.70 1x86 s ALA 153 Ca 0.00 -0.51 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1x86 s ALA 153 Cb 0.00 -3.06 -0.24 0.00 0.00 0.00 0.00 23.12 19.83 1x86 s ALA 153 CO 0.00 -2.87 0.35 0.34 0.00 0.00 0.00 175.76 173.59 1x86 n PHE 154 N -4.19 0.60 -3.50 0.00 -0.00 0.57 -4.84 117.46 106.09 1x86 n PHE 154 Ca 0.07 0.20 -0.09 0.00 -0.00 0.00 0.00 57.45 57.62 1x86 n PHE 154 Cb 0.58 -1.10 -0.02 0.00 -0.00 0.00 0.00 39.48 38.94 1x86 n PHE 154 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1x86 s GLY 155 N -5.41 -0.49 -0.02 7.13 0.00 -1.25 -5.07 107.32 102.22 1x86 s GLY 155 Ca -0.11 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.42 1x86 s GLY 155 CO 0.80 0.26 -0.02 -0.47 0.00 0.00 0.00 173.10 173.68 1x86 s TYR 156 N -3.31 3.04 -0.16 1.90 5.04 -1.26 -2.33 117.35 120.27 1x86 s TYR 156 Ca 0.04 0.07 -0.11 0.00 -2.44 0.00 0.00 57.07 54.63 1x86 s TYR 156 Cb -0.01 -1.68 0.05 0.00 0.35 0.00 0.00 41.96 40.67 1x86 s TYR 156 CO -0.09 0.44 0.40 1.41 -1.34 0.00 0.00 175.55 176.36 1x86 s MET 157 N -1.38 0.42 0.20 4.97 -2.45 -0.92 -5.02 119.30 115.12 1x86 s MET 157 Ca 0.18 0.67 0.07 0.00 -1.25 0.00 0.00 55.69 55.35 1x86 s MET 157 Cb -0.11 0.09 -0.04 0.00 1.25 0.00 0.00 34.83 36.01 1x86 s MET 157 CO 0.08 -0.11 0.10 -1.21 1.05 0.00 0.00 175.02 174.93 1x86 s GLU 158 N 0.84 2.71 -0.28 4.11 2.02 -1.26 -1.05 118.70 125.80 1x86 s GLU 158 Ca -0.05 -1.04 -0.20 0.00 0.02 0.00 0.00 54.97 53.69 1x86 s GLU 158 Cb -0.06 -2.49 0.12 0.00 0.10 0.00 0.00 34.13 31.80 1x86 s GLU 158 CO -0.06 0.44 0.94 0.00 0.02 0.00 0.00 175.26 176.60 1x86 s SER 160 N 0.89 6.18 0.17 0.00 0.15 -0.64 -2.43 113.70 118.02 1x86 s SER 160 Ca -0.04 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1x86 s SER 160 Cb -0.04 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1x86 s SER 160 CO -0.11 -0.19 1.42 0.00 1.20 0.00 0.00 173.24 175.56 1x86 h ALA 161 N 8.29 0.57 0.26 5.45 0.00 -1.95 -0.36 119.26 131.52 1x86 h ALA 161 Ca -0.32 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 53.96 1x86 h ALA 161 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x86 h ALA 161 CO 0.63 0.78 -0.20 0.87 0.00 0.00 0.00 179.25 181.33 1x86 h LYS 162 N 0.26 -0.43 0.00 0.00 1.57 -1.96 -2.76 116.57 113.25 1x86 h LYS 162 Ca -0.04 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x86 h LYS 162 Cb 1.35 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1x86 h LYS 162 CO 0.13 -0.29 0.00 0.25 -0.57 0.00 0.00 179.45 178.97 1x86 n THR 163 N -3.54 0.00 -1.87 -0.16 -2.24 -1.23 -4.78 114.28 100.46 1x86 n THR 163 Ca -0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1x86 n THR 163 Cb 0.20 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1x86 n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1x86 n LYS 164 N -0.82 -1.56 -3.76 -0.78 4.81 -0.72 -4.89 118.16 110.44 1x86 n LYS 164 Ca 0.06 1.07 -0.36 0.00 -0.87 0.00 0.00 58.31 58.21 1x86 n LYS 164 Cb 0.03 -5.53 -0.10 0.00 0.02 0.00 0.00 35.03 29.44 1x86 n LYS 164 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1x86 s ASP 165 N -2.42 5.77 0.00 3.14 3.68 -0.22 -4.06 116.67 122.56 1x86 s ASP 165 Ca 0.00 0.02 0.00 0.00 2.13 0.00 0.00 52.55 54.70 1x86 s ASP 165 Cb 0.00 -2.03 0.00 0.00 -1.45 0.00 0.00 42.92 39.44 1x86 s ASP 165 CO 0.00 0.06 0.00 0.61 0.13 0.00 0.00 175.17 175.97 1x86 n GLY 166 N 4.32 1.83 0.28 2.66 0.00 -1.26 -1.63 105.19 111.39 1x86 n GLY 166 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1x86 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x86 h VAL 167 N 0.00 1.26 0.18 1.61 2.07 -1.87 -2.29 116.25 117.21 1x86 h VAL 167 Ca 0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1x86 h VAL 167 Cb 0.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1x86 h VAL 167 CO 0.00 0.40 -0.09 -0.09 0.02 0.00 0.00 177.57 177.82 1x86 h ARG 168 N 0.71 -0.23 -0.86 1.57 9.65 -1.90 -3.17 114.38 120.15 1x86 h ARG 168 Ca 0.12 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.14 1x86 h ARG 168 Cb 0.60 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.17 1x86 h ARG 168 CO 0.04 -0.01 0.56 0.93 2.80 0.00 0.00 179.97 184.28 1x86 h GLU 169 N -0.42 0.72 0.32 0.20 3.07 -1.87 -0.37 114.58 116.24 1x86 h GLU 169 Ca -0.02 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1x86 h GLU 169 Cb 0.32 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1x86 h GLU 169 CO 0.04 0.47 -0.24 0.28 -1.40 0.00 0.00 179.01 178.16 1x86 h VAL 170 N 0.74 0.49 0.00 3.13 2.07 -1.40 -1.67 116.25 119.61 1x86 h VAL 170 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1x86 h VAL 170 Cb 0.58 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1x86 h VAL 170 CO -0.18 0.00 0.00 0.49 0.02 0.00 0.00 177.57 177.90 1x86 n PHE 171 N -5.37 0.00 -0.06 1.57 3.72 -0.58 -1.31 117.46 115.43 1x86 n PHE 171 Ca -0.10 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.18 1x86 n PHE 171 Cb 0.28 -0.47 -0.12 0.00 -0.94 0.00 0.00 39.48 38.23 1x86 n PHE 171 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1x86 h GLU 172 N 0.00 -0.01 -0.10 -1.08 5.08 -0.72 -2.66 114.58 115.09 1x86 h GLU 172 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1x86 h GLU 172 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1x86 h GLU 172 CO 0.00 0.87 -0.06 1.98 -1.00 0.00 0.00 179.01 180.80 1x86 h MET 173 N -0.95 -0.06 -0.91 2.33 1.85 -1.13 0.53 114.93 116.58 1x86 h MET 173 Ca -0.00 0.00 0.15 0.00 -0.61 0.00 0.00 59.70 59.25 1x86 h MET 173 Cb 0.88 0.01 -0.10 0.00 0.43 0.00 0.00 31.60 32.83 1x86 h MET 173 CO 0.00 -0.04 0.51 0.00 -0.40 0.00 0.00 176.91 176.98 1x86 h ALA 174 N 1.02 1.41 -0.23 0.39 0.00 -1.33 0.29 119.26 120.82 1x86 h ALA 174 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1x86 h ALA 174 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1x86 h ALA 174 CO -0.14 -0.04 -0.06 1.15 0.00 0.00 0.00 179.25 180.16 1x86 h THR 175 N 0.71 1.29 -0.51 0.00 2.02 -0.74 0.63 112.91 116.31 1x86 h THR 175 Ca 0.50 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1x86 h THR 175 Cb 0.70 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1x86 h THR 175 CO -0.35 0.33 0.28 0.03 0.37 0.00 0.00 175.52 176.17 1x86 h ARG 176 N 0.17 0.70 -0.01 6.66 3.08 0.10 -1.98 114.38 123.11 1x86 h ARG 176 Ca 0.06 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1x86 h ARG 176 Cb 0.53 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.45 1x86 h ARG 176 CO 0.02 0.52 -0.80 0.00 -1.07 0.00 0.00 179.97 178.65 1x86 h ALA 177 N 1.60 0.10 -0.65 0.04 0.00 -0.25 -3.01 119.26 117.09 1x86 h ALA 177 Ca 0.18 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1x86 h ALA 177 Cb 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1x86 h ALA 177 CO -0.03 0.50 0.31 0.00 0.00 0.00 0.00 179.25 180.03 1x86 h ALA 178 N 0.36 0.88 -0.02 0.00 0.00 0.50 -2.76 119.26 118.22 1x86 h ALA 178 Ca -0.10 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1x86 h ALA 178 Cb 1.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1x86 h ALA 178 CO 0.16 -0.08 -0.29 -0.07 0.00 0.00 0.00 179.25 178.96 1x86 h LEU 179 N 0.54 0.03 -9.61 0.00 3.38 -1.31 -3.43 115.31 104.91 1x86 h LEU 179 Ca 0.32 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.76 1x86 h LEU 179 Cb 0.33 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 41.12 1x86 h LEU 179 CO -0.26 0.33 1.05 0.00 0.09 0.00 0.00 178.44 179.65 1x86 n GLN 180 N -4.18 2.80 0.00 1.13 1.13 -1.04 -5.12 117.38 112.10 1x86 n GLN 180 Ca -0.02 1.01 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1x86 n GLN 180 Cb 0.35 -2.88 0.00 0.00 0.11 0.00 0.00 30.24 27.82 1x86 n GLN 180 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62