#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htd s PRO 4 N 0.00 0.59 -0.21 3.23 0.04 -1.26 -4.75 135.00 132.64 1htd s PRO 4 Ca 0.00 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 1htd s PRO 4 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1htd s PRO 4 CO 0.00 -2.79 1.08 -1.14 0.04 0.00 0.00 177.00 174.20 1htd s GLN 5 N -4.69 4.26 0.26 4.56 2.00 -1.26 -4.72 119.66 120.08 1htd s GLN 5 Ca 0.66 1.42 0.10 0.00 -2.00 0.00 0.00 55.36 55.55 1htd s GLN 5 Cb -0.22 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 29.88 1htd s GLN 5 CO 0.60 -0.63 -0.17 1.03 -0.50 0.00 0.00 175.29 175.62 1htd s ARG 6 N 3.18 1.56 -0.01 1.67 1.81 -0.03 -4.92 118.95 122.22 1htd s ARG 6 Ca 0.46 -1.72 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 1htd s ARG 6 Cb -0.17 -1.53 0.01 0.00 -0.45 0.00 0.00 34.95 32.82 1htd s ARG 6 CO 0.08 0.26 -0.01 0.71 -0.68 0.00 0.00 175.30 175.67 1htd s TYR 7 N -2.69 0.19 -0.16 -0.53 1.51 0.73 -1.03 117.35 115.36 1htd s TYR 7 Ca 0.28 0.00 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1htd s TYR 7 Cb -0.03 -0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1htd s TYR 7 CO 0.12 -0.05 -0.07 0.42 -1.11 0.00 0.00 175.55 174.86 1htd s ILE 8 N 0.43 3.52 -0.62 2.71 1.01 -0.19 -4.28 121.20 123.78 1htd s ILE 8 Ca -0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1htd s ILE 8 Cb -0.06 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 40.00 1htd s ILE 8 CO -0.01 0.48 0.64 -1.61 0.00 0.00 0.00 174.94 174.44 1htd s GLU 9 N 0.63 3.13 -0.03 2.79 2.02 -1.26 -0.22 118.70 125.75 1htd s GLU 9 Ca -0.04 -1.69 -0.17 0.00 0.02 0.00 0.00 54.97 53.09 1htd s GLU 9 Cb -0.15 -4.33 -0.05 0.00 0.10 0.00 0.00 34.13 29.69 1htd s GLU 9 CO 0.03 -1.42 0.46 -1.17 0.02 0.00 0.00 175.26 173.18 1htd s LEU 10 N 1.81 4.41 -0.14 1.80 2.96 0.92 -0.21 118.68 130.23 1htd s LEU 10 Ca 0.09 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 1htd s LEU 10 Cb -0.24 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.79 1htd s LEU 10 CO 0.02 0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.39 1htd s VAL 11 N -0.47 1.72 -0.22 1.68 1.01 -0.49 0.12 120.40 123.74 1htd s VAL 11 Ca 0.25 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1htd s VAL 11 Cb -0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1htd s VAL 11 CO 0.13 0.48 0.11 -0.69 0.00 0.00 0.00 175.10 175.13 1htd s VAL 12 N 1.14 4.92 -0.22 2.92 1.01 -0.62 -1.53 120.40 128.02 1htd s VAL 12 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1htd s VAL 12 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1htd s VAL 12 CO -0.06 0.38 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 1htd s VAL 13 N 0.99 4.04 -0.19 2.92 1.01 0.03 -1.44 120.40 127.77 1htd s VAL 13 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1htd s VAL 13 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1htd s VAL 13 CO 0.03 0.40 0.04 0.00 0.00 0.00 0.00 175.10 175.58 1htd s ALA 14 N 1.23 3.29 1.09 5.51 0.00 -0.07 0.56 121.76 133.37 1htd s ALA 14 Ca 0.04 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1htd s ALA 14 Cb -0.15 -1.87 0.26 0.00 0.00 0.00 0.00 23.12 21.36 1htd s ALA 14 CO 0.02 0.08 1.27 0.16 0.00 0.00 0.00 175.76 177.29 1htd s ASP 15 N 0.56 1.96 0.28 0.00 -4.77 -0.95 -1.21 116.67 112.52 1htd s ASP 15 Ca 0.02 0.27 -0.03 0.00 -3.30 0.00 0.00 52.55 49.51 1htd s ASP 15 Cb -0.13 -0.27 0.37 0.00 -1.09 0.00 0.00 42.92 41.80 1htd s ASP 15 CO 0.01 -3.45 1.87 -0.74 0.70 0.00 0.00 175.17 173.56 1htd h HIS 16 N -2.13 0.99 -0.26 2.11 -0.00 -1.88 -2.44 115.15 111.54 1htd h HIS 16 Ca -0.43 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 59.86 1htd h HIS 16 Cb 1.24 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1htd h HIS 16 CO -1.97 0.73 0.03 0.00 -0.00 0.00 0.00 177.93 176.72 1htd h ARG 17 N 0.98 0.38 -0.07 5.26 3.08 -1.93 -0.18 114.38 121.91 1htd h ARG 17 Ca 0.24 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 60.01 1htd h ARG 17 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1htd h ARG 17 CO -0.03 0.38 -0.84 0.28 -1.07 0.00 0.00 179.97 178.70 1htd h VAL 18 N 0.37 1.35 -0.01 2.04 2.07 -1.79 -1.78 116.25 118.51 1htd h VAL 18 Ca 0.09 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.42 1htd h VAL 18 Cb 0.20 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1htd h VAL 18 CO 0.00 0.67 -0.05 0.15 0.02 0.00 0.00 177.57 178.37 1htd h PHE 19 N 0.34 -0.11 -0.50 1.57 3.57 -0.83 -2.30 116.94 118.68 1htd h PHE 19 Ca -0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1htd h PHE 19 Cb 1.45 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1htd h PHE 19 CO 0.06 -0.07 0.07 0.52 -2.23 0.00 0.00 178.31 176.66 1htd h MET 20 N -0.08 0.83 -0.74 1.11 2.86 -1.09 0.56 114.93 118.38 1htd h MET 20 Ca 0.02 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1htd h MET 20 Cb 0.11 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 1htd h MET 20 CO -0.06 0.83 0.49 -0.22 1.06 0.00 0.00 176.91 179.02 1htd h LYS 21 N 0.70 0.56 -0.70 1.72 3.64 -1.08 -1.39 116.57 120.02 1htd h LYS 21 Ca 0.15 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1htd h LYS 21 Cb 0.41 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1htd h LYS 21 CO 0.01 0.37 0.08 0.66 -2.27 0.00 0.00 179.45 178.30 1htd n TYR 22 N -4.50 1.84 -3.46 1.91 4.01 -0.89 -4.91 117.16 111.17 1htd n TYR 22 Ca 0.13 -0.74 -0.21 0.00 -0.16 0.00 0.00 57.90 56.92 1htd n TYR 22 Cb 0.39 -0.50 0.07 0.00 -0.31 0.00 0.00 39.34 39.00 1htd n TYR 22 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1htd n ASN 23 N 0.32 -5.22 -2.87 7.72 5.15 -0.52 -2.61 115.26 117.23 1htd n ASN 23 Ca 0.27 -0.51 -0.17 0.00 -0.60 0.00 0.00 54.58 53.57 1htd n ASN 23 Cb 1.10 -4.65 -0.00 0.00 -0.53 0.00 0.00 39.78 35.69 1htd n ASN 23 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1htd n SER 24 N -2.68 -3.93 -4.24 1.20 7.64 0.18 -4.91 113.62 106.88 1htd n SER 24 Ca -0.05 -0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.33 1htd n SER 24 Cb 0.57 -3.29 -0.06 0.00 -1.01 0.00 0.00 64.21 60.42 1htd n SER 24 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1htd s ASP 25 N -2.37 5.99 0.23 6.43 -1.08 -1.07 -4.94 116.67 119.85 1htd s ASP 25 Ca 0.19 -2.25 -0.08 0.00 -0.52 0.00 0.00 52.55 49.89 1htd s ASP 25 Cb -0.10 -2.07 0.23 0.00 -1.46 0.00 0.00 42.92 39.52 1htd s ASP 25 CO 0.23 -0.64 1.88 -0.07 0.52 0.00 0.00 175.17 177.09 1htd h LEU 26 N 8.12 0.89 -1.41 -1.34 3.38 -1.91 -2.83 115.31 120.21 1htd h LEU 26 Ca -0.11 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1htd h LEU 26 Cb 1.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1htd h LEU 26 CO 0.84 0.62 0.47 0.78 0.09 0.00 0.00 178.44 181.24 1htd h ASN 27 N 1.05 0.62 -0.08 -0.43 4.21 -1.98 0.51 115.58 119.48 1htd h ASN 27 Ca 0.32 0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.70 1htd h ASN 27 Cb -0.02 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1htd h ASN 27 CO -0.10 0.39 -0.50 0.74 -1.29 0.00 0.00 177.43 176.67 1htd h THR 28 N 0.70 1.38 -0.11 2.81 2.02 -1.88 -2.42 112.91 115.41 1htd h THR 28 Ca 0.31 -1.86 0.02 0.00 0.77 0.00 0.00 66.41 65.65 1htd h THR 28 Cb 0.32 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1htd h THR 28 CO -0.10 0.55 0.01 0.40 0.37 0.00 0.00 175.52 176.75 1htd h ILE 29 N 0.06 0.93 -1.00 3.11 2.04 -1.21 -1.73 117.51 119.72 1htd h ILE 29 Ca -0.04 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1htd h ILE 29 Cb 1.16 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1htd h ILE 29 CO 0.10 0.01 0.65 -0.09 0.00 0.00 0.00 178.15 178.82 1htd h ARG 30 N 0.05 1.18 -0.38 2.37 2.43 -0.92 -1.52 114.38 117.58 1htd h ARG 30 Ca 0.05 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1htd h ARG 30 Cb 0.05 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1htd h ARG 30 CO -0.08 0.78 0.05 1.15 -1.51 0.00 0.00 179.97 180.36 1htd h THR 31 N 1.22 1.24 -0.02 0.20 2.02 -1.03 -1.32 112.91 115.21 1htd h THR 31 Ca 0.41 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1htd h THR 31 Cb 0.08 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1htd h THR 31 CO -0.15 0.30 -0.04 0.03 0.37 0.00 0.00 175.52 176.03 1htd h ARG 32 N 0.48 -0.06 -0.94 6.66 3.08 -0.86 -2.10 114.38 120.64 1htd h ARG 32 Ca 0.11 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.23 1htd h ARG 32 Cb 0.39 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1htd h ARG 32 CO 0.01 -0.04 0.60 0.28 -1.07 0.00 0.00 179.97 179.74 1htd h VAL 33 N -0.07 1.08 -0.43 2.04 2.07 -1.17 -0.85 116.25 118.92 1htd h VAL 33 Ca 0.03 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1htd h VAL 33 Cb 0.10 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1htd h VAL 33 CO -0.06 0.20 -0.11 0.45 0.02 0.00 0.00 177.57 178.06 1htd h HIS 34 N 1.10 0.86 -0.48 1.57 3.86 -1.03 -2.45 115.15 118.58 1htd h HIS 34 Ca 0.40 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1htd h HIS 34 Cb 0.14 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1htd h HIS 34 CO -0.01 0.85 -0.13 0.93 0.86 0.00 0.00 177.93 180.42 1htd h GLU 35 N 0.71 0.93 -0.71 2.45 4.39 -0.68 -2.15 114.58 119.52 1htd h GLU 35 Ca 0.12 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.47 1htd h GLU 35 Cb 0.60 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1htd h GLU 35 CO 0.04 1.02 0.46 0.82 -1.16 0.00 0.00 179.01 180.19 1htd h ILE 36 N 0.78 1.14 -0.52 3.13 2.04 -1.05 -1.55 117.51 121.49 1htd h ILE 36 Ca 0.12 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1htd h ILE 36 Cb 0.69 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1htd h ILE 36 CO 0.05 0.17 0.04 0.58 0.00 0.00 0.00 178.15 178.99 1htd h VAL 37 N 0.92 1.24 -0.35 1.67 2.07 -1.30 0.17 116.25 120.67 1htd h VAL 37 Ca 0.27 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1htd h VAL 37 Cb -0.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1htd h VAL 37 CO -0.08 0.35 0.11 0.78 0.02 0.00 0.00 177.57 178.75 1htd h ASN 38 N 0.80 0.46 -0.18 0.57 -0.26 -0.86 -1.15 115.58 114.97 1htd h ASN 38 Ca 0.16 -0.05 -0.13 0.00 -0.56 0.00 0.00 56.30 55.72 1htd h ASN 38 Cb 0.42 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1htd h ASN 38 CO 0.01 0.45 -0.38 -0.26 -1.06 0.00 0.00 177.43 176.19 1htd h PHE 39 N 0.50 0.74 -0.54 1.19 0.04 -0.24 -3.07 116.94 115.55 1htd h PHE 39 Ca 0.12 -0.27 0.07 0.00 2.80 0.00 0.00 57.97 60.69 1htd h PHE 39 Cb 0.16 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 1htd h PHE 39 CO 0.01 1.02 0.21 0.82 -0.60 0.00 0.00 178.31 179.76 1htd h ILE 40 N 0.24 0.83 -0.05 -0.55 2.04 -0.09 -1.97 117.51 117.96 1htd h ILE 40 Ca 0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1htd h ILE 40 Cb 0.99 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1htd h ILE 40 CO 0.08 0.07 -0.05 0.78 0.00 0.00 0.00 178.15 179.04 1htd h ASN 41 N 0.39 0.07 -0.21 1.72 2.35 -1.25 -1.86 115.58 116.80 1htd h ASN 41 Ca 0.26 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1htd h ASN 41 Cb 0.28 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1htd h ASN 41 CO -0.25 0.13 0.04 1.23 -1.65 0.00 0.00 177.43 176.93 1htd h GLY 42 N 0.30 0.36 0.86 2.83 0.00 -1.26 -2.39 103.07 103.77 1htd h GLY 42 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1htd h GLY 42 CO 0.01 0.21 0.04 0.74 0.00 0.00 0.00 176.54 177.54 1htd h PHE 43 N 0.14 0.40 0.00 5.60 0.04 -1.30 -3.24 116.94 118.59 1htd h PHE 43 Ca 0.06 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1htd h PHE 43 Cb 0.29 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1htd h PHE 43 CO 0.01 0.50 0.00 0.66 -0.60 0.00 0.00 178.31 178.89 1htd n TYR 44 N -4.71 0.75 -0.22 -0.55 4.01 -0.74 -3.94 117.16 111.76 1htd n TYR 44 Ca -0.04 0.28 0.02 0.00 -0.16 0.00 0.00 57.90 58.00 1htd n TYR 44 Cb 0.19 -0.95 0.12 0.00 -0.31 0.00 0.00 39.34 38.40 1htd n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1htd h ARG 45 N 0.00 0.14 -0.04 -0.72 3.08 -1.45 -0.82 114.38 114.56 1htd h ARG 45 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1htd h ARG 45 Cb 0.44 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1htd h ARG 45 CO 0.00 0.09 0.10 0.66 -1.07 0.00 0.00 179.97 179.75 1htd h SER 46 N 0.15 0.00 0.01 7.04 4.64 -1.81 -1.70 113.55 121.87 1htd h SER 46 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1htd h SER 46 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1htd h SER 46 CO -0.54 0.00 -0.27 0.18 -0.87 0.00 0.00 176.83 175.33 1htd n LEU 47 N -3.37 2.20 -1.75 5.97 4.32 -0.33 -4.99 117.00 119.05 1htd n LEU 47 Ca -0.02 -0.77 -0.13 0.00 -0.02 0.00 0.00 56.01 55.07 1htd n LEU 47 Cb 0.18 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1htd n LEU 47 CO 0.22 0.39 -0.05 0.59 -1.22 0.00 0.00 177.39 177.32 1htd n ASN 48 N 0.37 -4.18 -4.40 -1.43 5.03 -0.64 -4.80 115.26 105.21 1htd n ASN 48 Ca 0.12 -0.12 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1htd n ASN 48 Cb 0.49 -3.16 -0.14 0.00 -1.02 0.00 0.00 39.78 35.95 1htd n ASN 48 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1htd s ILE 49 N -2.83 2.96 -0.14 2.41 1.01 -1.18 -0.85 121.20 122.58 1htd s ILE 49 Ca 0.13 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1htd s ILE 49 Cb -0.06 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1htd s ILE 49 CO 0.16 0.55 -0.20 -2.28 0.00 0.00 0.00 174.94 173.17 1htd s HIS 50 N -0.06 2.71 -0.18 3.97 5.65 -0.20 -4.31 115.29 122.87 1htd s HIS 50 Ca -0.03 -1.23 -0.09 0.00 0.25 0.00 0.00 55.06 53.96 1htd s HIS 50 Cb -0.14 -1.84 -0.05 0.00 -1.18 0.00 0.00 32.58 29.38 1htd s HIS 50 CO 0.04 -0.56 0.11 0.08 -0.65 0.00 0.00 174.74 173.75 1htd s VAL 51 N 0.81 5.19 -0.13 0.89 1.01 -1.26 -1.02 120.40 125.88 1htd s VAL 51 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1htd s VAL 51 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1htd s VAL 51 CO -0.01 0.48 -0.14 -0.44 0.00 0.00 0.00 175.10 174.99 1htd s SER 52 N 0.14 3.95 -0.80 3.32 0.01 0.70 -4.95 113.70 116.06 1htd s SER 52 Ca 0.08 -0.35 -0.26 0.00 1.31 0.00 0.00 55.95 56.73 1htd s SER 52 Cb -0.12 -1.60 0.03 0.00 0.21 0.00 0.00 66.02 64.54 1htd s SER 52 CO -0.00 0.16 1.37 -0.22 0.41 0.00 0.00 173.24 174.95 1htd s LEU 53 N 0.40 3.25 0.25 2.44 2.96 -1.26 -0.06 118.68 126.66 1htd s LEU 53 Ca -0.11 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.14 1htd s LEU 53 Cb -0.16 -2.56 0.30 0.00 0.50 0.00 0.00 46.19 44.27 1htd s LEU 53 CO 0.05 -1.81 1.69 0.74 -1.32 0.00 0.00 176.35 175.71 1htd h THR 54 N 6.29 1.26 -1.41 3.68 2.02 0.58 -3.47 112.91 121.85 1htd h THR 54 Ca -0.15 -1.23 0.18 0.00 0.77 0.00 0.00 66.41 65.97 1htd h THR 54 Cb 1.05 1.18 -0.23 0.00 -1.74 0.00 0.00 68.15 68.41 1htd h THR 54 CO 1.31 0.41 0.74 -0.62 0.37 0.00 0.00 175.52 177.73 1htd s ASP 55 N -6.75 -0.20 -0.14 4.18 2.15 -1.16 -5.00 116.67 109.74 1htd s ASP 55 Ca -0.08 0.17 0.01 0.00 0.43 0.00 0.00 52.55 53.08 1htd s ASP 55 Cb 0.14 0.18 0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1htd s ASP 55 CO 0.81 -0.23 -0.18 -0.22 -0.17 0.00 0.00 175.17 175.19 1htd s LEU 56 N -1.39 1.91 -0.10 -1.34 2.96 -1.26 -1.59 118.68 117.88 1htd s LEU 56 Ca 0.05 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1htd s LEU 56 Cb -0.01 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1htd s LEU 56 CO -0.04 0.01 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.14 1htd s GLU 57 N 1.15 3.02 -0.11 1.98 2.12 -0.52 -4.99 118.70 121.35 1htd s GLU 57 Ca -0.01 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.62 1htd s GLU 57 Cb -0.14 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.78 1htd s GLU 57 CO -0.07 0.34 -0.20 0.42 -0.54 0.00 0.00 175.26 175.21 1htd s ILE 58 N 0.00 1.80 -1.49 -3.70 1.01 -1.26 -0.89 121.20 116.67 1htd s ILE 58 Ca -0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 1htd s ILE 58 Cb -0.14 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1htd s ILE 58 CO 0.04 0.50 2.41 0.79 0.00 0.00 0.00 174.94 178.69 1htd n TRP 59 N 3.89 3.20 -0.23 3.97 8.01 -0.35 -4.69 117.44 131.23 1htd n TRP 59 Ca -0.20 -3.00 -0.03 0.00 -1.31 0.00 0.00 57.50 52.96 1htd n TRP 59 Cb 0.52 -2.50 0.14 0.00 -2.01 0.00 0.00 31.31 27.46 1htd n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1htd h SER 60 N 5.70 0.96 0.00 -0.99 4.64 -1.88 -3.25 113.55 118.73 1htd h SER 60 Ca 0.65 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.80 1htd h SER 60 Cb 0.54 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1htd h SER 60 CO 1.85 0.83 -0.22 -1.13 -0.87 0.00 0.00 176.83 177.29 1htd h ASN 61 N 1.04 0.00 -4.61 4.97 -0.00 -1.99 -3.49 115.58 111.49 1htd h ASN 61 Ca 0.25 -0.79 0.20 0.00 -0.00 0.00 0.00 56.30 55.96 1htd h ASN 61 Cb 0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 38.31 1htd h ASN 61 CO -0.03 1.02 0.67 -1.83 -0.00 0.00 0.00 177.43 177.27 1htd s GLU 62 N -2.17 0.57 0.38 6.67 -1.05 -1.23 -5.07 118.70 116.80 1htd s GLU 62 Ca -0.19 -0.23 -0.27 0.00 -0.15 0.00 0.00 54.97 54.13 1htd s GLU 62 Cb -0.01 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.84 1htd s GLU 62 CO 0.59 -0.25 1.31 -0.51 0.95 0.00 0.00 175.26 177.35 1htd s ASP 63 N -2.42 6.46 0.25 0.83 1.01 -1.26 -4.75 116.67 116.79 1htd s ASP 63 Ca 0.08 2.68 0.23 0.00 0.71 0.00 0.00 52.55 56.25 1htd s ASP 63 Cb -0.00 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.36 1htd s ASP 63 CO -0.06 -0.75 1.17 1.56 0.21 0.00 0.00 175.17 177.30 1htd h GLN 64 N 2.91 0.00 -5.47 8.23 1.08 -1.99 -3.47 115.11 116.40 1htd h GLN 64 Ca -0.49 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.14 1htd h GLN 64 Cb 1.24 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.54 1htd h GLN 64 CO 0.64 0.00 -0.60 0.96 -0.95 0.00 0.00 178.83 178.87 1htd s ILE 65 N -3.33 1.65 -0.63 2.54 -4.36 -1.26 -5.09 121.20 110.72 1htd s ILE 65 Ca 0.01 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.16 1htd s ILE 65 Cb 0.09 -2.90 0.05 0.00 1.25 0.00 0.00 42.46 40.95 1htd s ILE 65 CO 0.76 0.00 1.02 0.21 0.24 0.00 0.00 174.94 177.18 1htd s ASN 66 N -3.62 6.25 -0.12 4.36 2.47 -1.26 -5.00 114.94 118.02 1htd s ASN 66 Ca 0.35 -0.59 -0.30 0.00 0.42 0.00 0.00 52.86 52.74 1htd s ASN 66 Cb 0.09 -2.46 -0.02 0.00 -1.45 0.00 0.00 41.25 37.42 1htd s ASN 66 CO 0.17 -1.43 1.15 -0.63 -3.72 0.00 0.00 177.10 172.63 1htd s ILE 67 N 4.36 4.45 0.24 -5.21 -1.09 -1.26 -4.75 121.20 117.93 1htd s ILE 67 Ca 0.29 1.75 0.08 0.00 -2.23 0.00 0.00 60.65 60.53 1htd s ILE 67 Cb -0.13 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1htd s ILE 67 CO 0.15 -0.06 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.58 1htd s GLN 68 N 2.63 1.44 0.49 2.79 -0.21 -1.26 -5.03 119.66 120.51 1htd s GLN 68 Ca 0.52 -1.68 0.29 0.00 0.02 0.00 0.00 55.36 54.51 1htd s GLN 68 Cb -0.21 -1.21 1.01 0.00 1.00 0.00 0.00 33.01 33.60 1htd s GLN 68 CO 0.17 0.15 1.85 0.77 -2.12 0.00 0.00 175.29 176.11 1htd h SER 69 N 2.43 0.00 -2.35 5.90 0.02 -1.96 -3.40 113.55 114.19 1htd h SER 69 Ca -0.39 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.99 1htd h SER 69 Cb 1.23 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.67 1htd h SER 69 CO 0.64 0.07 0.94 0.00 -1.14 0.00 0.00 176.83 177.34 1htd s ALA 70 N -3.55 2.86 0.41 3.77 0.00 -1.26 -0.39 121.76 123.60 1htd s ALA 70 Ca 0.02 -1.60 0.21 0.00 0.00 0.00 0.00 51.96 50.59 1htd s ALA 70 Cb 0.08 -4.16 1.18 0.00 0.00 0.00 0.00 23.12 20.22 1htd s ALA 70 CO 0.60 -3.16 1.74 0.66 0.00 0.00 0.00 175.76 175.60 1htd h SER 71 N 9.85 0.40 -0.22 0.00 4.64 -1.92 0.13 113.55 126.42 1htd h SER 71 Ca -0.23 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1htd h SER 71 Cb 1.05 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1htd h SER 71 CO 1.26 0.03 -0.37 0.28 -0.87 0.00 0.00 176.83 177.15 1htd h SER 72 N 0.32 0.80 -0.21 4.97 0.02 -1.95 0.23 113.55 117.73 1htd h SER 72 Ca 0.64 -0.35 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1htd h SER 72 Cb 1.73 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1htd h SER 72 CO -0.32 1.09 -0.26 0.44 -1.14 0.00 0.00 176.83 176.64 1htd h ASP 73 N 0.63 0.60 -0.85 3.07 5.19 -1.41 -1.40 116.42 122.24 1htd h ASP 73 Ca 0.06 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 1htd h ASP 73 Cb 0.92 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.22 1htd h ASP 73 CO 0.08 0.97 0.48 0.74 -3.12 0.00 0.00 179.24 178.40 1htd h THR 74 N 0.24 1.25 -0.60 0.35 2.02 -1.14 -1.25 112.91 113.77 1htd h THR 74 Ca 0.03 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1htd h THR 74 Cb 0.82 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1htd h THR 74 CO 0.06 0.27 0.12 0.25 0.37 0.00 0.00 175.52 176.60 1htd h LEU 75 N 1.19 0.90 -0.44 2.58 5.85 -0.39 -0.99 115.31 124.01 1htd h LEU 75 Ca 0.30 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1htd h LEU 75 Cb 0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1htd h LEU 75 CO -0.05 0.89 0.03 0.78 -0.34 0.00 0.00 178.44 179.75 1htd h ASN 76 N 0.91 0.74 -0.33 1.25 -0.26 -0.42 -0.30 115.58 117.16 1htd h ASN 76 Ca 0.19 -0.29 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1htd h ASN 76 Cb 0.36 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 1htd h ASN 76 CO 0.00 0.84 0.08 0.00 -1.06 0.00 0.00 177.43 177.30 1htd h ALA 77 N 0.92 0.44 -0.13 -0.83 0.00 -1.08 -2.64 119.26 115.94 1htd h ALA 77 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1htd h ALA 77 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1htd h ALA 77 CO 0.02 0.11 -0.22 0.35 0.00 0.00 0.00 179.25 179.50 1htd h PHE 78 N 0.38 0.24 -0.05 0.00 3.57 -1.10 -2.39 116.94 117.60 1htd h PHE 78 Ca 0.10 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1htd h PHE 78 Cb 0.31 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1htd h PHE 78 CO 0.02 0.44 0.02 0.00 -2.23 0.00 0.00 178.31 176.56 1htd h ALA 79 N 1.57 0.07 -0.31 2.41 0.00 -0.70 -1.66 119.26 120.64 1htd h ALA 79 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1htd h ALA 79 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1htd h ALA 79 CO 0.04 -0.35 0.15 0.93 0.00 0.00 0.00 179.25 180.01 1htd h GLU 80 N -0.06 0.44 -0.64 0.00 5.08 -1.42 -1.98 114.58 115.99 1htd h GLU 80 Ca 0.02 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1htd h GLU 80 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1htd h GLU 80 CO -0.00 0.42 0.41 2.35 -1.00 0.00 0.00 179.01 181.19 1htd h TRP 81 N 0.36 0.78 -0.17 4.33 7.01 -1.37 0.13 115.95 127.02 1htd h TRP 81 Ca 0.11 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1htd h TRP 81 Cb 0.12 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1htd h TRP 81 CO -0.02 0.46 0.06 -0.09 -2.79 0.00 0.00 178.44 176.07 1htd h ARG 82 N 0.82 0.26 -0.15 2.65 1.12 -1.17 0.40 114.38 118.31 1htd h ARG 82 Ca 0.25 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1htd h ARG 82 Cb -0.03 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1htd h ARG 82 CO -0.08 0.35 0.08 1.49 -3.11 0.00 0.00 179.97 178.70 1htd h GLU 83 N 0.11 0.22 0.00 0.20 4.81 -1.03 0.56 114.58 119.45 1htd h GLU 83 Ca 0.06 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1htd h GLU 83 Cb 0.20 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1htd h GLU 83 CO -0.00 0.24 -0.95 1.79 -0.73 0.00 0.00 179.01 179.36 1htd h THR 84 N 0.14 0.75 0.00 0.32 1.35 -0.75 -3.40 112.91 111.31 1htd h THR 84 Ca 0.05 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1htd h THR 84 Cb 0.09 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1htd h THR 84 CO -0.01 0.43 0.00 -0.67 -0.25 0.00 0.00 175.52 175.02 1htd n ASP 85 N -3.08 0.00 -0.30 5.36 -0.08 0.14 -4.64 116.55 113.94 1htd n ASP 85 Ca -0.03 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.31 1htd n ASP 85 Cb 0.79 -0.11 0.22 0.00 2.34 0.00 0.00 41.12 44.36 1htd n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1htd h LEU 86 N 0.00 0.61 -1.58 -2.67 5.85 -1.40 -1.83 115.31 114.29 1htd h LEU 86 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1htd h LEU 86 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1htd h LEU 86 CO 0.00 0.29 0.24 0.25 -0.34 0.00 0.00 178.44 178.88 1htd h LEU 87 N 0.70 0.46 -0.58 2.25 6.46 -1.08 0.11 115.31 123.62 1htd h LEU 87 Ca 0.45 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 58.15 1htd h LEU 87 Cb 0.58 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1htd h LEU 87 CO -0.33 0.35 -0.23 0.78 -0.62 0.00 0.00 178.44 178.39 1htd h ASN 88 N 0.54 0.00 0.21 1.25 4.21 -1.57 -3.32 115.58 116.89 1htd h ASN 88 Ca 0.14 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.30 1htd h ASN 88 Cb -0.03 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 1htd h ASN 88 CO -0.03 0.23 -1.95 0.54 -1.29 0.00 0.00 177.43 174.94 1htd n ARG 89 N -3.25 0.73 -3.73 0.81 1.74 -0.22 -4.97 116.66 107.76 1htd n ARG 89 Ca 0.02 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 1htd n ARG 89 Cb 0.53 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.14 1htd n ARG 89 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1htd s LYS 90 N -2.57 0.49 -0.05 5.56 -2.85 0.22 -5.11 119.74 115.45 1htd s LYS 90 Ca -0.18 0.52 -0.27 0.00 -1.00 0.00 0.00 55.97 55.03 1htd s LYS 90 Cb 0.07 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1htd s LYS 90 CO 0.78 -0.07 0.88 -1.12 0.10 0.00 0.00 175.35 175.92 1htd s SER 91 N 0.11 7.20 0.28 0.03 0.01 -1.26 -4.38 113.70 115.68 1htd s SER 91 Ca -0.01 1.45 -0.20 0.00 1.31 0.00 0.00 55.95 58.50 1htd s SER 91 Cb -0.03 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1htd s SER 91 CO 0.01 -0.24 0.70 -1.38 0.41 0.00 0.00 173.24 172.74 1htd s HIS 92 N 1.12 -0.15 -0.21 2.43 -0.00 -1.26 -5.06 115.29 112.17 1htd s HIS 92 Ca 0.46 -0.30 0.12 0.00 -0.00 0.00 0.00 55.06 55.33 1htd s HIS 92 Cb -0.19 0.66 -0.21 0.00 -0.00 0.00 0.00 32.58 32.84 1htd s HIS 92 CO 0.23 -1.21 -0.03 -0.25 -0.00 0.00 0.00 174.74 173.47 1htd n ASP 93 N -0.45 0.95 -3.80 7.38 8.00 0.71 -4.97 116.55 124.36 1htd n ASP 93 Ca -0.04 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 1htd n ASP 93 Cb 0.59 0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 42.08 1htd n ASP 93 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1htd s ASN 94 N -5.70 -0.15 -0.03 -2.24 3.84 -0.98 -3.77 114.94 105.91 1htd s ASN 94 Ca -0.18 0.14 0.04 0.00 0.21 0.00 0.00 52.86 53.08 1htd s ASN 94 Cb 0.07 0.35 -0.00 0.00 -0.55 0.00 0.00 41.25 41.12 1htd s ASN 94 CO 0.70 -0.31 -0.15 0.00 -2.79 0.00 0.00 177.10 174.55 1htd s ALA 95 N -0.87 1.32 -0.08 1.71 0.00 -0.74 -1.39 121.76 121.70 1htd s ALA 95 Ca -0.10 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1htd s ALA 95 Cb -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1htd s ALA 95 CO 0.02 0.25 -0.19 -0.65 0.00 0.00 0.00 175.76 175.19 1htd s GLN 96 N 0.00 2.43 -0.20 0.00 -1.52 -0.59 -2.43 119.66 117.36 1htd s GLN 96 Ca -0.02 -0.70 -0.17 0.00 -1.95 0.00 0.00 55.36 52.53 1htd s GLN 96 Cb -0.10 -1.91 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 1htd s GLN 96 CO 0.01 0.15 0.43 -1.17 -0.25 0.00 0.00 175.29 174.47 1htd s LEU 97 N 0.38 4.16 -0.48 2.90 2.96 -0.22 -0.79 118.68 127.59 1htd s LEU 97 Ca -0.15 0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 54.17 1htd s LEU 97 Cb -0.16 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.03 1htd s LEU 97 CO 0.06 -0.10 0.43 -0.22 -1.32 0.00 0.00 176.35 175.21 1htd s LEU 98 N 1.37 5.60 0.12 -0.68 2.96 0.19 -0.17 118.68 128.07 1htd s LEU 98 Ca 0.21 -1.32 0.05 0.00 -0.22 0.00 0.00 54.13 52.84 1htd s LEU 98 Cb -0.15 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1htd s LEU 98 CO 0.08 -0.70 0.06 0.28 -1.32 0.00 0.00 176.35 174.76 1htd s THR 99 N 1.76 4.27 -0.18 3.68 -1.32 0.15 -2.25 115.64 121.75 1htd s THR 99 Ca 0.05 -0.99 0.16 0.00 -1.21 0.00 0.00 61.69 59.70 1htd s THR 99 Cb -0.24 -3.10 0.45 0.00 -1.51 0.00 0.00 72.50 68.10 1htd s THR 99 CO 0.07 0.03 1.34 0.00 -2.21 0.00 0.00 174.62 173.85 1htd n ALA 100 N 0.20 3.03 -2.49 11.08 0.00 -1.26 -0.47 120.51 130.60 1htd n ALA 100 Ca -0.09 -2.58 -0.31 0.00 0.00 0.00 0.00 53.44 50.45 1htd n ALA 100 Cb 0.53 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1htd n ALA 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1htd s ILE 101 N -2.93 5.00 -0.55 0.00 2.07 -1.26 -4.90 121.20 118.63 1htd s ILE 101 Ca 0.40 0.28 -0.27 0.00 -1.41 0.00 0.00 60.65 59.64 1htd s ILE 101 Cb 0.34 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 39.31 1htd s ILE 101 CO 0.05 -0.12 1.11 -1.61 -1.91 0.00 0.00 174.94 172.47 1htd s GLU 102 N -2.98 3.51 0.36 3.50 2.02 -1.26 -4.88 118.70 118.97 1htd s GLU 102 Ca 0.45 0.19 -0.25 0.00 0.02 0.00 0.00 54.97 55.38 1htd s GLU 102 Cb -0.11 -4.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.02 1htd s GLU 102 CO 0.24 -1.56 1.01 -0.51 0.02 0.00 0.00 175.26 174.46 1htd s LEU 103 N 4.59 4.25 1.21 1.80 1.43 -1.26 -4.67 118.68 126.03 1htd s LEU 103 Ca 0.41 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 1htd s LEU 103 Cb -0.09 -4.07 0.25 0.00 0.03 0.00 0.00 46.19 42.31 1htd s LEU 103 CO 0.25 -0.30 0.65 0.47 0.23 0.00 0.00 176.35 177.65 1htd n ASP 104 N 0.28 -2.39 -3.91 2.29 8.00 0.48 -3.56 116.55 117.74 1htd n ASP 104 Ca 0.03 -0.28 -0.31 0.00 0.71 0.00 0.00 54.79 54.94 1htd n ASP 104 Cb 0.49 -1.10 -0.07 0.00 -0.02 0.00 0.00 41.12 40.42 1htd n ASP 104 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1htd n GLU 105 N -4.08 -0.82 -3.85 -1.24 -0.58 -1.26 -1.10 120.64 107.70 1htd n GLU 105 Ca 0.03 0.10 -0.26 0.00 -0.42 0.00 0.00 57.16 56.61 1htd n GLU 105 Cb 0.56 -3.45 0.02 0.00 -0.57 0.00 0.00 31.44 28.00 1htd n GLU 105 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1htd n GLU 106 N -3.46 -4.75 -3.18 3.49 4.71 -1.25 -4.93 120.64 111.27 1htd n GLU 106 Ca -0.01 0.56 -0.40 0.00 -0.01 0.00 0.00 57.16 57.30 1htd n GLU 106 Cb 0.41 -5.17 -0.07 0.00 -1.01 0.00 0.00 31.44 25.60 1htd n GLU 106 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1htd s THR 107 N -3.57 5.04 -0.54 2.62 2.01 -0.26 -4.93 115.64 116.02 1htd s THR 107 Ca 0.28 1.02 0.22 0.00 0.31 0.00 0.00 61.69 63.52 1htd s THR 107 Cb -0.14 -3.88 -0.21 0.00 0.01 0.00 0.00 72.50 68.28 1htd s THR 107 CO 0.84 0.09 0.83 0.18 -0.69 0.00 0.00 174.62 175.87 1htd n LEU 108 N 5.34 0.54 -3.64 4.42 4.32 -1.26 -4.36 117.00 122.36 1htd n LEU 108 Ca -0.03 -0.14 0.02 0.00 -0.02 0.00 0.00 56.01 55.84 1htd n LEU 108 Cb 0.50 -0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1htd n LEU 108 CO 0.42 0.08 1.08 -0.83 -1.22 0.00 0.00 177.39 176.92 1htd s GLY 109 N -3.74 -0.40 -0.19 -0.72 0.00 -1.26 -1.09 107.32 99.92 1htd s GLY 109 Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.11 1htd s GLY 109 CO 0.85 0.57 0.88 -2.27 0.00 0.00 0.00 173.10 173.13 1htd s LEU 110 N -3.05 -0.53 -0.27 0.66 2.96 0.22 -4.97 118.68 113.71 1htd s LEU 110 Ca 0.15 0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 54.62 1htd s LEU 110 Cb 0.05 2.14 0.12 0.00 0.50 0.00 0.00 46.19 49.00 1htd s LEU 110 CO -0.04 -0.33 1.02 0.00 -1.32 0.00 0.00 176.35 175.68 1htd s ALA 111 N -0.47 -1.96 0.48 5.97 0.00 -1.26 -0.05 121.76 124.46 1htd s ALA 111 Ca -0.02 1.84 -0.22 0.00 0.00 0.00 0.00 51.96 53.56 1htd s ALA 111 Cb -0.02 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 1htd s ALA 111 CO 0.01 -0.25 1.17 -1.25 0.00 0.00 0.00 175.76 175.45 1htd s PRO 112 N 0.06 3.63 0.34 0.00 0.04 -1.26 -4.79 135.00 133.02 1htd s PRO 112 Ca 0.02 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 1htd s PRO 112 Cb -0.04 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1htd s PRO 112 CO -0.05 -0.66 0.91 -1.17 0.04 0.00 0.00 177.00 176.08 1htd s LEU 113 N -3.22 4.24 -1.03 -3.56 2.96 -1.26 -2.95 118.68 113.86 1htd s LEU 113 Ca 0.66 1.74 -0.26 0.00 -0.22 0.00 0.00 54.13 56.05 1htd s LEU 113 Cb -0.28 -4.09 0.04 0.00 0.50 0.00 0.00 46.19 42.35 1htd s LEU 113 CO 0.34 -0.13 0.60 0.61 -1.32 0.00 0.00 176.35 176.45 1htd n GLY 114 N 0.28 -0.85 0.00 7.98 0.00 0.12 -4.83 105.19 107.88 1htd n GLY 114 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1htd n GLY 114 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1htd n THR 115 N -4.24 0.30 -1.64 2.61 5.66 -0.02 -4.86 114.28 112.09 1htd n THR 115 Ca -0.14 -0.40 -0.44 0.00 -3.05 0.00 0.00 64.05 60.02 1htd n THR 115 Cb 0.54 1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 70.35 1htd n THR 115 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1htd n MET 116 N -0.15 1.70 0.00 1.09 0.00 -0.53 -1.87 117.12 117.37 1htd n MET 116 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 57.70 58.30 1htd n MET 116 Cb 0.28 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1htd n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htd s ASP 118 N -3.58 6.67 0.45 0.00 -1.08 -0.78 -4.89 116.67 113.46 1htd s ASP 118 Ca 0.00 2.61 0.11 0.00 -0.52 0.00 0.00 52.55 54.75 1htd s ASP 118 Cb 0.00 -2.61 1.02 0.00 -1.46 0.00 0.00 42.92 39.87 1htd s ASP 118 CO 0.00 -0.71 2.09 1.55 0.52 0.00 0.00 175.17 178.62 1htd h PRO 119 N 5.55 0.31 0.00 4.34 0.13 -1.94 -2.26 132.00 138.14 1htd h PRO 119 Ca -0.45 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1htd h PRO 119 Cb 1.21 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1htd h PRO 119 CO 0.81 0.22 -2.02 1.17 -0.23 0.00 0.00 178.00 177.94 1htd n LYS 120 N -4.49 1.12 -0.05 0.86 4.81 -1.26 -3.91 118.16 115.24 1htd n LYS 120 Ca 0.01 -0.05 0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1htd n LYS 120 Cb 0.08 -1.42 0.08 0.00 0.02 0.00 0.00 35.03 33.79 1htd n LYS 120 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1htd n LEU 121 N -2.46 2.25 -3.60 3.14 7.99 -1.21 -4.61 117.00 118.49 1htd n LEU 121 Ca -0.20 -1.24 -0.41 0.00 -0.01 0.00 0.00 56.01 54.15 1htd n LEU 121 Cb 0.87 -0.06 -0.01 0.00 -0.11 0.00 0.00 43.42 44.11 1htd n LEU 121 CO 0.35 0.47 2.89 -0.24 -1.51 0.00 0.00 177.39 179.35 1htd n SER 122 N 0.67 5.31 -3.91 -1.43 2.88 -0.85 -4.68 113.62 111.60 1htd n SER 122 Ca 0.08 -2.75 -0.13 0.00 -1.33 0.00 0.00 58.87 54.74 1htd n SER 122 Cb 0.34 -1.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.10 1htd n SER 122 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1htd s ILE 123 N 2.93 0.00 -0.07 2.46 -4.36 -1.26 -1.80 121.20 119.10 1htd s ILE 123 Ca 0.54 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 1htd s ILE 123 Cb 0.15 -2.47 0.11 0.00 1.25 0.00 0.00 42.46 41.49 1htd s ILE 123 CO -0.08 0.00 0.88 -0.83 0.24 0.00 0.00 174.94 175.15 1htd s GLY 124 N -3.19 -0.41 -0.03 6.27 0.00 -1.02 -4.19 107.32 104.75 1htd s GLY 124 Ca 0.36 1.48 0.07 0.00 0.00 0.00 0.00 44.72 46.64 1htd s GLY 124 CO 0.16 0.74 -0.25 -0.26 0.00 0.00 0.00 173.10 173.49 1htd s ILE 125 N -1.92 2.12 -0.03 0.90 -4.36 0.92 -1.05 121.20 117.78 1htd s ILE 125 Ca -0.01 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1htd s ILE 125 Cb -0.01 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 41.98 1htd s ILE 125 CO -0.01 0.58 -0.03 -0.69 0.24 0.00 0.00 174.94 175.02 1htd s VAL 126 N -0.50 0.40 -0.11 8.37 1.01 0.76 -0.61 120.40 129.72 1htd s VAL 126 Ca 0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 1htd s VAL 126 Cb -0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1htd s VAL 126 CO 0.00 0.17 0.35 -1.58 0.00 0.00 0.00 175.10 174.05 1htd s GLN 127 N 0.68 4.12 -1.07 2.72 0.74 -0.25 -0.68 119.66 125.92 1htd s GLN 127 Ca -0.08 0.24 -0.23 0.00 0.05 0.00 0.00 55.36 55.34 1htd s GLN 127 Cb -0.11 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1htd s GLN 127 CO -0.00 0.39 1.84 0.34 -0.55 0.00 0.00 175.29 177.30 1htd s ASP 128 N -0.03 5.55 0.00 6.67 2.15 0.38 -4.69 116.67 126.68 1htd s ASP 128 Ca 0.20 -1.36 0.22 0.00 0.43 0.00 0.00 52.55 52.04 1htd s ASP 128 Cb -0.14 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 39.83 1htd s ASP 128 CO 0.08 -2.45 1.03 0.00 -0.17 0.00 0.00 175.17 173.65 1htd n HIS 129 N 12.56 0.00 -3.81 -5.34 1.44 -1.26 -4.90 115.22 113.91 1htd n HIS 129 Ca 0.42 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 56.00 1htd n HIS 129 Cb 0.47 -0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.48 1htd n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1htd s SER 130 N -2.74 -0.11 0.00 4.39 0.15 -1.26 -5.01 113.70 109.12 1htd s SER 130 Ca 0.14 0.02 0.23 0.00 0.70 0.00 0.00 55.95 57.03 1htd s SER 130 Cb 0.17 0.30 0.86 0.00 -1.71 0.00 0.00 66.02 65.63 1htd s SER 130 CO 0.71 -0.38 1.61 -0.81 1.20 0.00 0.00 173.24 175.58 1htd n PRO 131 N 1.53 1.68 -3.37 5.44 -0.04 -1.26 -4.75 135.00 134.24 1htd n PRO 131 Ca -0.21 -1.01 -0.43 0.00 -0.04 0.00 0.00 63.50 61.81 1htd n PRO 131 Cb 0.56 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1htd n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1htd s ILE 132 N -1.85 5.14 0.30 0.52 1.01 -1.26 -4.96 121.20 120.10 1htd s ILE 132 Ca 0.34 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1htd s ILE 132 Cb 0.18 -4.00 0.29 0.00 0.01 0.00 0.00 42.46 38.94 1htd s ILE 132 CO 0.28 -0.38 1.85 0.78 0.00 0.00 0.00 174.94 177.47 1htd h ASN 133 N 8.69 0.87 -0.19 3.58 2.35 -1.96 -2.43 115.58 126.49 1htd h ASN 133 Ca -0.27 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1htd h ASN 133 Cb 1.11 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.28 1htd h ASN 133 CO 0.77 0.46 -0.32 0.25 -1.65 0.00 0.00 177.43 176.95 1htd h LEU 134 N 0.93 -1.00 -1.97 1.61 5.85 -1.93 0.34 115.31 119.14 1htd h LEU 134 Ca 0.48 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 1htd h LEU 134 Cb 0.52 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1htd h LEU 134 CO -0.24 -0.35 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.34 1htd h LEU 135 N -0.36 0.00 -0.17 2.25 4.07 -1.83 -0.27 115.31 119.00 1htd h LEU 135 Ca 0.11 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.85 1htd h LEU 135 Cb 0.54 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1htd h LEU 135 CO -0.39 0.11 -0.96 0.24 -1.08 0.00 0.00 178.44 176.36 1htd h MET 136 N 0.00 0.26 -0.43 1.13 2.86 -0.89 -2.66 114.93 115.20 1htd h MET 136 Ca -0.00 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 1htd h MET 136 Cb 0.25 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1htd h MET 136 CO 0.01 1.04 0.14 0.78 1.06 0.00 0.00 176.91 179.94 1htd h GLY 137 N 1.68 0.73 0.97 8.32 0.00 0.12 -1.67 103.07 113.22 1htd h GLY 137 Ca -0.07 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1htd h GLY 137 CO 0.15 0.40 0.08 -2.08 0.00 0.00 0.00 176.54 175.10 1htd h VAL 138 N 0.56 1.01 -0.33 4.60 2.07 -1.18 0.12 116.25 123.11 1htd h VAL 138 Ca 0.14 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1htd h VAL 138 Cb 0.26 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1htd h VAL 138 CO -0.00 0.03 0.13 0.74 0.02 0.00 0.00 177.57 178.49 1htd h THR 139 N 0.17 0.93 -0.25 2.57 2.02 -1.29 -0.44 112.91 116.62 1htd h THR 139 Ca 0.05 -0.10 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 1htd h THR 139 Cb -0.00 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1htd h THR 139 CO -0.03 0.05 -0.51 -0.03 0.37 0.00 0.00 175.52 175.38 1htd h MET 140 N 0.28 0.70 -0.22 6.66 -1.53 -1.14 -2.27 114.93 117.40 1htd h MET 140 Ca 0.15 -0.42 -0.06 0.00 -3.44 0.00 0.00 59.70 55.93 1htd h MET 140 Cb 0.10 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1htd h MET 140 CO -0.14 1.04 -0.11 0.00 0.14 0.00 0.00 176.91 177.85 1htd h ALA 141 N 0.88 1.41 0.21 0.39 0.00 -0.52 -2.00 119.26 119.63 1htd h ALA 141 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1htd h ALA 141 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1htd h ALA 141 CO 0.10 0.41 -0.10 1.25 0.00 0.00 0.00 179.25 180.91 1htd h HIS 142 N 0.34 -0.26 -0.71 0.00 6.17 -0.95 -0.99 115.15 118.74 1htd h HIS 142 Ca 0.07 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.17 1htd h HIS 142 Cb 0.40 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.38 1htd h HIS 142 CO 0.01 0.05 0.47 0.93 0.71 0.00 0.00 177.93 180.10 1htd h GLU 143 N -0.59 0.87 -0.13 5.26 4.39 -1.24 0.46 114.58 123.59 1htd h GLU 143 Ca -0.03 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1htd h GLU 143 Cb 0.43 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1htd h GLU 143 CO 0.05 0.57 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.02 1htd h LEU 144 N 0.89 0.29 -0.90 1.33 3.38 -1.34 -2.56 115.31 116.40 1htd h LEU 144 Ca 0.28 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1htd h LEU 144 Cb 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1htd h LEU 144 CO -0.07 0.65 0.60 1.23 0.09 0.00 0.00 178.44 180.93 1htd h GLY 145 N 1.16 1.28 0.93 0.83 0.00 0.49 -0.96 103.07 106.79 1htd h GLY 145 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1htd h GLY 145 CO 0.06 0.47 -0.05 0.45 0.00 0.00 0.00 176.54 177.48 1htd h HIS 146 N 1.23 0.74 -0.31 5.60 3.86 -1.12 -0.73 115.15 124.43 1htd h HIS 146 Ca 0.33 -0.15 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 1htd h HIS 146 Cb -0.14 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1htd h HIS 146 CO -0.01 0.80 0.31 -0.91 0.86 0.00 0.00 177.93 178.98 1htd h ASN 147 N 0.47 0.00 -0.50 2.45 -0.26 -1.00 0.43 115.58 117.17 1htd h ASN 147 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1htd h ASN 147 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1htd h ASN 147 CO 0.03 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.58 1htd n LEU 148 N -3.86 3.72 0.00 1.61 4.77 -0.43 -0.84 117.00 121.98 1htd n LEU 148 Ca 0.05 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1htd n LEU 148 Cb 0.46 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1htd n LEU 148 CO 0.29 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1htd n GLY 149 N 0.96 0.58 3.75 -0.72 0.00 0.56 -4.17 105.19 106.16 1htd n GLY 149 Ca 0.20 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1htd n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1htd s MET 150 N -0.34 4.27 0.65 1.61 -1.94 -0.32 -4.37 119.30 118.85 1htd s MET 150 Ca 0.00 0.52 0.06 0.00 -1.71 0.00 0.00 55.69 54.56 1htd s MET 150 Cb 0.00 -3.38 0.11 0.00 2.01 0.00 0.00 34.83 33.58 1htd s MET 150 CO 0.00 0.30 0.89 -1.21 -0.01 0.00 0.00 175.02 174.99 1htd s GLU 151 N 0.14 1.98 0.58 2.03 2.02 -1.26 -4.03 118.70 120.15 1htd s GLU 151 Ca 0.27 -1.49 -0.18 0.00 0.02 0.00 0.00 54.97 53.59 1htd s GLU 151 Cb -0.16 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1htd s GLU 151 CO 0.13 -1.17 1.09 -1.01 0.02 0.00 0.00 175.26 174.32 1htd s HIS 152 N -2.89 2.78 0.76 1.61 3.76 -1.26 -4.90 115.29 115.15 1htd s HIS 152 Ca 0.65 1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 57.09 1htd s HIS 152 Cb -0.05 -3.16 0.15 0.00 1.11 0.00 0.00 32.58 30.63 1htd s HIS 152 CO 0.42 -1.39 1.05 -0.51 -0.85 0.00 0.00 174.74 173.45 1htd s ASP 153 N -2.24 4.10 0.77 1.40 1.01 0.76 -4.98 116.67 117.48 1htd s ASP 153 Ca 0.68 -0.46 -0.11 0.00 0.71 0.00 0.00 52.55 53.37 1htd s ASP 153 Cb -0.20 0.21 0.06 0.00 1.01 0.00 0.00 42.92 43.99 1htd s ASP 153 CO 0.32 -2.05 1.10 -0.83 0.21 0.00 0.00 175.17 173.92 1htd s GLY 154 N -4.82 1.78 0.66 0.21 0.00 -1.26 -4.29 107.32 99.59 1htd s GLY 154 Ca 0.69 0.36 0.43 0.00 0.00 0.00 0.00 44.72 46.20 1htd s GLY 154 CO 0.46 0.72 2.34 0.07 0.00 0.00 0.00 173.10 176.68 1htd h LYS 155 N -0.98 0.00 -0.16 2.90 2.10 -1.96 -2.29 116.57 116.18 1htd h LYS 155 Ca -0.44 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.16 1htd h LYS 155 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1htd h LYS 155 CO 0.51 0.00 -0.10 -0.25 -2.00 0.00 0.00 179.45 177.60 1htd n ASP 156 N -3.10 2.70 -4.73 7.07 8.00 -1.26 -4.89 116.55 120.34 1htd n ASP 156 Ca -0.03 -3.39 -0.42 0.00 0.71 0.00 0.00 54.79 51.67 1htd n ASP 156 Cb 0.10 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1htd n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1htd s LEU 158 N 0.53 1.39 -0.78 0.00 1.43 -1.26 -2.75 118.68 117.24 1htd s LEU 158 Ca 0.70 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.57 1htd s LEU 158 Cb -0.48 -0.44 0.21 0.00 0.03 0.00 0.00 46.19 45.50 1htd s LEU 158 CO 0.38 -0.04 0.69 -0.60 0.23 0.00 0.00 176.35 177.01 1htd s ARG 159 N 0.82 3.33 5.89 1.70 3.00 0.54 -4.90 118.95 129.33 1htd s ARG 159 Ca -0.11 -2.54 0.00 0.00 -1.00 0.00 0.00 55.73 52.08 1htd s ARG 159 Cb -0.14 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.59 1htd s ARG 159 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.30 174.46 1htd n GLY 160 N 3.74 1.52 0.34 8.12 0.00 -1.26 -1.24 105.19 116.41 1htd n GLY 160 Ca 0.13 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1htd n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htd n ALA 161 N 8.08 2.63 -2.69 4.61 0.00 -1.26 -4.98 120.51 126.90 1htd n ALA 161 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 1htd n ALA 161 Cb 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 1htd n ALA 161 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1htd s SER 162 N -1.07 6.74 0.29 0.00 0.01 -0.37 -4.89 113.70 114.40 1htd s SER 162 Ca 0.11 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 1htd s SER 162 Cb 0.08 -2.30 -0.11 0.00 0.21 0.00 0.00 66.02 63.91 1htd s SER 162 CO 0.18 0.02 1.55 -0.76 0.41 0.00 0.00 173.24 174.64 1htd s LEU 163 N 0.46 4.35 0.03 2.44 1.43 0.12 -0.34 118.68 127.18 1htd s LEU 163 Ca 0.27 2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.95 1htd s LEU 163 Cb -0.16 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 1htd s LEU 163 CO 0.12 -0.86 1.38 0.00 0.23 0.00 0.00 176.35 177.21 1htd h ILE 165 N 4.73 0.99 -0.20 0.00 2.04 -1.04 -2.83 117.51 121.20 1htd h ILE 165 Ca -0.39 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1htd h ILE 165 Cb 1.19 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1htd h ILE 165 CO 0.88 0.18 0.05 0.23 0.00 0.00 0.00 178.15 179.49 1htd n MET 166 N -4.54 1.93 -1.34 2.37 2.81 -1.26 -4.82 117.12 112.27 1htd n MET 166 Ca 0.16 -0.90 -0.33 0.00 -1.81 0.00 0.00 57.70 54.81 1htd n MET 166 Cb 0.29 -1.62 0.10 0.00 -0.71 0.00 0.00 33.22 31.27 1htd n MET 166 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1htd s ARG 167 N -1.36 2.10 0.00 0.03 0.52 -1.07 -0.17 118.95 118.99 1htd s ARG 167 Ca 0.16 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 1htd s ARG 167 Cb 0.13 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.75 1htd s ARG 167 CO 0.04 -1.82 0.66 -0.35 0.02 0.00 0.00 175.30 173.85 1htd n PRO 168 N -3.05 0.99 -3.57 3.54 -0.04 -1.26 -4.79 135.00 126.82 1htd n PRO 168 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1htd n PRO 168 Cb 0.51 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1htd n PRO 168 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1htd s GLY 169 N -0.34 -0.28 -0.20 0.55 0.00 -1.26 -5.14 107.32 100.65 1htd s GLY 169 Ca 0.00 1.84 -0.15 0.00 0.00 0.00 0.00 44.72 46.40 1htd s GLY 169 CO 0.00 0.83 0.37 -2.27 0.00 0.00 0.00 173.10 172.03 1htd s LEU 170 N -1.51 4.16 -0.11 0.66 2.96 -1.26 -5.06 118.68 118.52 1htd s LEU 170 Ca 0.02 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1htd s LEU 170 Cb -0.01 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 1htd s LEU 170 CO -0.02 -0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.92 1htd s THR 171 N 1.19 2.91 0.15 3.68 2.01 -1.26 -5.09 115.64 119.23 1htd s THR 171 Ca 0.18 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 1htd s THR 171 Cb -0.14 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.09 1htd s THR 171 CO 0.07 0.54 1.34 -0.54 -0.69 0.00 0.00 174.62 175.34 1htd s LYS 172 N 0.16 4.36 0.31 4.92 1.02 -1.26 -4.98 119.74 124.27 1htd s LYS 172 Ca -0.08 2.04 -0.08 0.00 0.02 0.00 0.00 55.97 57.87 1htd s LYS 172 Cb -0.15 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1htd s LYS 172 CO 0.05 -0.35 0.56 0.41 -0.92 0.00 0.00 175.35 175.10 1htd n GLY 173 N 3.00 1.57 0.15 -3.33 0.00 -1.26 -5.06 105.19 100.27 1htd n GLY 173 Ca 0.09 -1.34 0.02 0.00 0.00 0.00 0.00 46.02 44.79 1htd n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htd n ARG 174 N -0.45 0.16 -3.70 1.61 1.74 -1.26 -4.97 116.66 109.78 1htd n ARG 174 Ca -0.04 -0.89 -0.13 0.00 -0.77 0.00 0.00 57.85 56.01 1htd n ARG 174 Cb 0.48 -1.07 -0.13 0.00 -1.02 0.00 0.00 32.46 30.72 1htd n ARG 174 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1htd s SER 175 N -0.43 0.06 0.00 0.55 0.15 -1.26 -5.11 113.70 107.66 1htd s SER 175 Ca 0.05 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1htd s SER 175 Cb 0.03 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1htd s SER 175 CO 0.04 -0.20 -0.05 -0.31 1.20 0.00 0.00 173.24 173.93 1htd s TYR 176 N 1.74 0.42 0.13 3.44 1.51 -1.26 -0.70 117.35 122.63 1htd s TYR 176 Ca -0.05 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1htd s TYR 176 Cb -0.11 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1htd s TYR 176 CO -0.08 -0.01 0.19 -1.21 -1.11 0.00 0.00 175.55 173.33 1htd s GLU 177 N -0.23 0.99 -0.28 -0.62 2.02 -0.28 -4.89 118.70 115.41 1htd s GLU 177 Ca 0.01 -1.16 -0.22 0.00 0.02 0.00 0.00 54.97 53.61 1htd s GLU 177 Cb -0.02 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 1htd s GLU 177 CO -0.00 -0.33 0.73 -0.06 0.02 0.00 0.00 175.26 175.63 1htd s PHE 178 N -3.95 3.25 1.02 1.61 0.08 -1.26 -0.33 117.98 118.39 1htd s PHE 178 Ca 0.14 0.84 -0.12 0.00 0.12 0.00 0.00 56.93 57.91 1htd s PHE 178 Cb 0.05 -3.06 0.20 0.00 -0.57 0.00 0.00 43.02 39.64 1htd s PHE 178 CO -0.04 -0.46 1.08 -1.54 -0.10 0.00 0.00 175.22 174.16 1htd s SER 179 N 1.53 2.36 0.49 1.36 1.04 -1.26 -4.86 113.70 114.36 1htd s SER 179 Ca 0.30 1.46 0.21 0.00 0.48 0.00 0.00 55.95 58.40 1htd s SER 179 Cb -0.15 -2.15 1.24 0.00 0.10 0.00 0.00 66.02 65.07 1htd s SER 179 CO 0.10 -3.33 2.05 0.44 0.98 0.00 0.00 173.24 173.48 1htd h ASP 180 N -2.03 0.00 -0.16 7.02 3.32 -1.98 -2.48 116.42 120.11 1htd h ASP 180 Ca -0.54 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 1htd h ASP 180 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1htd h ASP 180 CO 0.53 0.14 0.05 0.44 -1.72 0.00 0.00 179.24 178.68 1htd h ASP 181 N 0.00 0.23 -1.00 6.45 5.19 -2.00 -2.34 116.42 122.95 1htd h ASP 181 Ca -0.00 -0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1htd h ASP 181 Cb 0.30 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.68 1htd h ASP 181 CO 0.02 0.37 0.65 0.28 -3.12 0.00 0.00 179.24 177.43 1htd h SER 182 N 0.08 1.03 -0.19 6.45 0.02 -1.80 -0.92 113.55 118.22 1htd h SER 182 Ca 0.05 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1htd h SER 182 Cb 0.22 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1htd h SER 182 CO -0.00 0.65 0.03 0.24 -1.14 0.00 0.00 176.83 176.61 1htd h MET 183 N 1.16 0.41 0.12 3.45 2.86 -1.19 -2.57 114.93 119.18 1htd h MET 183 Ca 0.44 -0.07 -0.30 0.00 -2.06 0.00 0.00 59.70 57.71 1htd h MET 183 Cb 0.19 -0.07 0.03 0.00 0.06 0.00 0.00 31.60 31.81 1htd h MET 183 CO -0.18 0.42 -1.25 0.45 1.06 0.00 0.00 176.91 177.41 1htd h HIS 184 N 0.41 0.98 -0.21 -0.22 -0.00 -0.68 -1.91 115.15 113.52 1htd h HIS 184 Ca 0.09 -0.62 0.02 0.00 -0.00 0.00 0.00 60.37 59.86 1htd h HIS 184 Cb 0.22 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1htd h HIS 184 CO 0.01 1.46 0.08 1.88 -0.00 0.00 0.00 177.93 181.36 1htd h TYR 185 N 0.26 0.15 -0.29 2.45 0.05 -1.18 -1.92 116.97 116.49 1htd h TYR 185 Ca -0.18 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 1htd h TYR 185 Cb 1.92 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.61 1htd h TYR 185 CO 0.11 0.08 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.36 1htd h TYR 186 N 0.19 0.58 -0.66 4.88 3.20 -1.55 -1.74 116.97 121.86 1htd h TYR 186 Ca 0.09 -0.11 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1htd h TYR 186 Cb 0.05 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 1htd h TYR 186 CO -0.11 0.68 0.44 1.49 -1.64 0.00 0.00 178.16 179.02 1htd h GLU 187 N 0.31 0.55 -0.01 1.82 4.81 -1.19 -1.00 114.58 119.88 1htd h GLU 187 Ca 0.08 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 1htd h GLU 187 Cb 0.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1htd h GLU 187 CO 0.02 0.36 -0.87 -0.09 -0.73 0.00 0.00 179.01 177.70 1htd h ARG 188 N 0.56 0.25 -0.90 1.92 2.43 -1.16 -2.86 114.38 114.63 1htd h ARG 188 Ca 0.30 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1htd h ARG 188 Cb 0.44 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1htd h ARG 188 CO -0.10 0.97 0.53 0.35 -1.51 0.00 0.00 179.97 180.21 1htd h PHE 189 N 0.15 1.20 0.54 2.20 3.57 -0.30 0.24 116.94 124.53 1htd h PHE 189 Ca -0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1htd h PHE 189 Cb 1.48 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.84 1htd h PHE 189 CO 0.04 0.80 -0.26 1.25 -2.23 0.00 0.00 178.31 177.91 1htd h LEU 190 N 1.24 -0.61 -0.73 0.59 5.85 -1.25 0.12 115.31 120.53 1htd h LEU 190 Ca 0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1htd h LEU 190 Cb -0.03 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1htd h LEU 190 CO -0.06 -0.44 0.47 0.11 -0.34 0.00 0.00 178.44 178.19 1htd h LYS 191 N -0.72 0.96 0.10 1.25 6.56 -1.25 0.21 116.57 123.69 1htd h LYS 191 Ca -0.07 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 1htd h LYS 191 Cb 0.55 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1htd h LYS 191 CO 0.12 0.65 -0.05 0.37 -2.06 0.00 0.00 179.45 178.48 1htd h GLN 192 N 0.99 -0.14 0.00 3.15 4.15 -0.44 -3.39 115.11 119.43 1htd h GLN 192 Ca 0.26 0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.49 1htd h GLN 192 Cb -0.09 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1htd h GLN 192 CO -0.06 0.37 -1.46 1.88 -1.93 0.00 0.00 178.83 177.63 1htd h TYR 193 N -0.79 0.00 -6.70 3.99 -1.99 -0.82 -3.49 116.97 107.17 1htd h TYR 193 Ca -0.01 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.17 1htd h TYR 193 Cb 0.57 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.22 1htd h TYR 193 CO 0.11 0.73 -0.94 1.63 -0.00 0.00 0.00 178.16 179.68 1htd n LYS 194 N -2.97 -1.80 -1.89 4.88 5.02 0.06 -4.84 118.16 116.62 1htd n LYS 194 Ca -0.11 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 1htd n LYS 194 Cb 0.91 -3.86 -0.03 0.00 -0.02 0.00 0.00 35.03 32.03 1htd n LYS 194 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1htd s PRO 195 N -6.86 4.19 0.21 1.97 0.04 -1.26 -4.91 135.00 128.38 1htd s PRO 195 Ca 0.15 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.62 1htd s PRO 195 Cb -0.07 -3.34 0.15 0.00 0.04 0.00 0.00 34.50 31.27 1htd s PRO 195 CO 0.93 -0.69 1.49 0.37 0.04 0.00 0.00 177.00 179.14 1htd h GLN 196 N 7.51 0.23 0.00 4.56 4.15 -1.96 -3.34 115.11 126.25 1htd h GLN 196 Ca -0.43 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 58.80 1htd h GLN 196 Cb 1.20 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 1htd h GLN 196 CO 0.93 0.85 -0.03 0.00 -1.93 0.00 0.00 178.83 178.65 1htd n ILE 198 N -3.41 2.26 -0.05 0.00 -5.35 -1.25 -4.40 119.36 107.16 1htd n ILE 198 Ca -0.02 -1.21 -0.07 0.00 -0.27 0.00 0.00 62.75 61.17 1htd n ILE 198 Cb 0.13 -0.18 -0.14 0.00 -1.74 0.00 0.00 39.64 37.71 1htd n ILE 198 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1htd n LEU 199 N 0.71 0.44 -4.73 7.28 4.32 -1.04 -0.19 117.00 123.78 1htd n LEU 199 Ca 0.25 0.20 -0.41 0.00 -0.02 0.00 0.00 56.01 56.03 1htd n LEU 199 Cb 1.03 0.29 -0.05 0.00 -1.62 0.00 0.00 43.42 43.07 1htd n LEU 199 CO 0.27 0.38 0.69 0.54 -1.22 0.00 0.00 177.39 178.05 1htd s ASN 200 N -5.69 7.49 -0.16 -1.43 4.22 -1.26 -4.81 114.94 113.29 1htd s ASN 200 Ca -0.07 1.88 -0.29 0.00 -2.14 0.00 0.00 52.86 52.23 1htd s ASN 200 Cb 0.08 -2.60 -0.01 0.00 1.28 0.00 0.00 41.25 40.00 1htd s ASN 200 CO 0.83 -0.05 1.15 -0.75 -2.04 0.00 0.00 177.10 176.24 1htd s LYS 201 N -0.30 4.28 0.00 3.55 2.20 -1.26 -4.67 119.74 123.54 1htd s LYS 201 Ca 0.46 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 1htd s LYS 201 Cb -0.25 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1htd s LYS 201 CO 0.31 -0.59 0.48 -2.30 -0.36 0.00 0.00 175.35 172.89