#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b97 h LEU 3 N 0.00 -0.01 0.02 1.04 5.85 -1.98 -0.67 115.31 119.55 1b97 h LEU 3 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b97 h LEU 3 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1b97 h LEU 3 CO 0.00 0.03 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.03 1b97 h ARG 4 N 0.13 -0.02 -0.29 1.25 2.43 -2.00 0.41 114.38 116.29 1b97 h ARG 4 Ca 0.11 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1b97 h ARG 4 Cb 0.12 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1b97 h ARG 4 CO -0.16 0.05 -0.18 0.66 -1.51 0.00 0.00 179.97 178.83 1b97 h SER 5 N -0.08 0.51 0.41 -3.80 4.64 -1.98 -1.47 113.55 111.77 1b97 h SER 5 Ca -0.00 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.01 1b97 h SER 5 Cb 0.08 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1b97 h SER 5 CO 0.00 0.70 -0.66 0.44 -0.87 0.00 0.00 176.83 176.44 1b97 h ASP 6 N 0.47 0.27 -0.12 4.97 3.32 -0.90 -2.43 116.42 121.99 1b97 h ASP 6 Ca 0.08 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1b97 h ASP 6 Cb 0.57 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1b97 h ASP 6 CO 0.04 0.85 -0.01 0.25 -1.72 0.00 0.00 179.24 178.66 1b97 h LEU 7 N 0.16 0.21 -0.69 1.55 5.85 -0.59 -1.88 115.31 119.92 1b97 h LEU 7 Ca -0.01 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1b97 h LEU 7 Cb 1.19 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1b97 h LEU 7 CO 0.10 0.48 0.43 0.40 -0.34 0.00 0.00 178.44 179.52 1b97 h ILE 8 N -0.06 1.10 -0.22 4.05 2.04 -1.26 -1.07 117.51 122.09 1b97 h ILE 8 Ca 0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1b97 h ILE 8 Cb 0.38 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1b97 h ILE 8 CO 0.01 0.15 0.10 0.78 0.00 0.00 0.00 178.15 179.20 1b97 h ASN 9 N 0.85 0.28 -0.88 1.72 2.35 -1.40 -1.89 115.58 116.61 1b97 h ASN 9 Ca 0.28 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1b97 h ASN 9 Cb 0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1b97 h ASN 9 CO -0.10 0.33 0.48 0.00 -1.65 0.00 0.00 177.43 176.48 1b97 h ALA 10 N 0.97 1.13 -0.36 -0.83 0.00 -1.10 -1.94 119.26 117.13 1b97 h ALA 10 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1b97 h ALA 10 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1b97 h ALA 10 CO -0.01 0.64 0.09 -0.07 0.00 0.00 0.00 179.25 179.90 1b97 h LEU 11 N 1.23 0.54 -0.20 0.00 3.38 -1.10 -0.28 115.31 118.89 1b97 h LEU 11 Ca 0.31 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b97 h LEU 11 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1b97 h LEU 11 CO -0.05 0.63 0.11 1.88 0.09 0.00 0.00 178.44 181.10 1b97 h TYR 12 N 0.43 0.21 0.12 1.13 0.05 -1.14 -1.65 116.97 116.13 1b97 h TYR 12 Ca 0.11 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.91 1b97 h TYR 12 Cb 0.29 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1b97 h TYR 12 CO 0.01 0.13 -0.15 -0.44 -1.05 0.00 0.00 178.16 176.66 1b97 h ASP 13 N 0.24 -0.42 -0.42 3.88 5.19 -1.21 0.19 116.42 123.87 1b97 h ASP 13 Ca 0.08 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1b97 h ASP 13 Cb -0.00 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1b97 h ASP 13 CO -0.04 -0.23 0.28 -0.08 -3.12 0.00 0.00 179.24 176.05 1b97 h GLU 14 N -0.32 0.55 -0.66 3.56 4.57 -0.99 -0.65 114.58 120.64 1b97 h GLU 14 Ca 0.01 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1b97 h GLU 14 Cb 0.32 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 1b97 h GLU 14 CO -0.06 0.36 0.40 -0.97 -1.18 0.00 0.00 179.01 177.57 1b97 h ASN 15 N 0.57 0.65 -0.08 1.04 -1.24 -1.16 -1.54 115.58 113.82 1b97 h ASN 15 Ca 0.15 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 1b97 h ASN 15 Cb -0.06 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1b97 h ASN 15 CO -0.03 0.45 -0.16 -0.61 -1.29 0.00 0.00 177.43 175.79 1b97 h GLN 16 N 0.79 0.44 0.19 6.67 5.75 -0.50 -3.33 115.11 125.12 1b97 h GLN 16 Ca 0.27 -0.13 -0.28 0.00 -0.15 0.00 0.00 58.65 58.36 1b97 h GLN 16 Cb 0.04 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 28.57 1b97 h GLN 16 CO -0.12 0.59 -1.31 -0.22 -2.65 0.00 0.00 178.83 175.12 1b97 h LYS 17 N 0.40 0.40 -6.81 1.69 3.64 -0.32 -3.48 116.57 112.09 1b97 h LYS 17 Ca 0.07 -0.68 -0.69 0.00 -1.27 0.00 0.00 60.65 58.09 1b97 h LYS 17 Cb 0.51 0.25 -0.23 0.00 -0.41 0.00 0.00 32.23 32.36 1b97 h LYS 17 CO 0.03 1.32 -0.86 0.71 -2.27 0.00 0.00 179.45 178.38 1b97 s TYR 18 N -2.52 2.36 -0.25 1.91 2.02 -0.66 -5.10 117.35 115.11 1b97 s TYR 18 Ca -0.13 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1b97 s TYR 18 Cb 0.03 -1.32 0.06 0.00 -0.40 0.00 0.00 41.96 40.33 1b97 s TYR 18 CO 0.87 0.27 -0.09 -0.51 -1.57 0.00 0.00 175.55 174.52 1b97 s ASP 19 N -1.76 4.14 0.21 2.29 1.01 -1.26 -4.75 116.67 116.56 1b97 s ASP 19 Ca 0.14 -1.28 -0.30 0.00 0.71 0.00 0.00 52.55 51.82 1b97 s ASP 19 Cb -0.10 -1.38 -0.09 0.00 1.01 0.00 0.00 42.92 42.35 1b97 s ASP 19 CO 0.05 -0.20 1.40 -0.69 0.21 0.00 0.00 175.17 175.94 1b97 s VAL 20 N 1.24 2.89 0.00 -1.27 1.01 -1.26 -4.92 120.40 118.09 1b97 s VAL 20 Ca -0.07 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1b97 s VAL 20 Cb -0.19 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1b97 s VAL 20 CO -0.06 0.10 0.39 0.00 0.00 0.00 0.00 175.10 175.54 1b97 n GLY 22 N -0.08 -0.40 3.76 0.00 0.00 -1.26 -4.14 105.19 103.07 1b97 n GLY 22 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1b97 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b97 s ILE 23 N -2.00 4.66 0.01 -0.61 -4.36 0.12 -4.94 121.20 114.08 1b97 s ILE 23 Ca 0.00 -0.27 0.07 0.00 -0.26 0.00 0.00 60.65 60.19 1b97 s ILE 23 Cb 0.00 -3.05 -0.02 0.00 1.25 0.00 0.00 42.46 40.64 1b97 s ILE 23 CO 0.00 0.49 -0.21 -0.51 0.24 0.00 0.00 174.94 174.95 1b97 s ILE 24 N -1.05 1.66 0.42 8.37 2.07 -1.26 -1.24 121.20 130.17 1b97 s ILE 24 Ca 0.18 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.41 1b97 s ILE 24 Cb -0.12 -1.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.05 1b97 s ILE 24 CO 0.08 0.37 0.64 -0.94 -1.91 0.00 0.00 174.94 173.17 1b97 s SER 25 N -0.76 5.97 0.59 4.50 1.04 -0.56 -4.97 113.70 119.50 1b97 s SER 25 Ca 0.08 0.33 0.31 0.00 0.48 0.00 0.00 55.95 57.15 1b97 s SER 25 Cb -0.08 -1.67 1.83 0.00 0.10 0.00 0.00 66.02 66.20 1b97 s SER 25 CO 0.00 -0.59 2.23 0.00 0.98 0.00 0.00 173.24 175.87 1b97 h ALA 26 N 0.50 1.40 -0.00 5.32 0.00 -2.01 0.38 119.26 124.85 1b97 h ALA 26 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1b97 h ALA 26 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1b97 h ALA 26 CO 0.58 0.03 -0.04 0.39 0.00 0.00 0.00 179.25 180.21 1b97 n GLU 27 N -3.69 0.46 -0.40 0.00 4.71 -1.26 -4.95 120.64 115.51 1b97 n GLU 27 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1b97 n GLU 27 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1b97 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b97 n GLY 28 N 1.30 0.78 3.76 0.62 0.00 0.12 -5.07 105.19 106.71 1b97 n GLY 28 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1b97 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b97 s LYS 29 N -0.60 4.25 -0.15 1.61 2.20 -1.26 -4.09 119.74 121.70 1b97 s LYS 29 Ca 0.00 0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1b97 s LYS 29 Cb 0.00 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1b97 s LYS 29 CO 0.00 0.37 -0.08 0.42 -0.36 0.00 0.00 175.35 175.70 1b97 s ILE 30 N -0.12 3.47 -0.19 5.43 1.01 0.47 -1.49 121.20 129.78 1b97 s ILE 30 Ca 0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1b97 s ILE 30 Cb -0.17 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1b97 s ILE 30 CO 0.15 0.50 -0.02 -0.31 0.00 0.00 0.00 174.94 175.25 1b97 s TYR 31 N 0.52 3.01 1.01 3.97 1.51 -0.38 -0.91 117.35 126.09 1b97 s TYR 31 Ca -0.06 -0.50 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 1b97 s TYR 31 Cb -0.15 -2.04 0.20 0.00 -0.11 0.00 0.00 41.96 39.86 1b97 s TYR 31 CO 0.03 -0.23 1.08 -1.25 -1.11 0.00 0.00 175.55 174.08 1b97 s PRO 32 N 0.87 0.30 0.20 -1.71 0.04 -1.26 -0.70 135.00 132.73 1b97 s PRO 32 Ca -0.00 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 1b97 s PRO 32 Cb -0.14 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1b97 s PRO 32 CO 0.02 -2.97 0.43 -0.51 0.04 0.00 0.00 177.00 174.01 1b97 s LEU 33 N -6.75 4.20 0.76 -3.56 1.43 -1.26 -4.71 118.68 108.79 1b97 s LEU 33 Ca 0.66 0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1b97 s LEU 33 Cb -0.22 -3.34 0.13 0.00 0.03 0.00 0.00 46.19 42.79 1b97 s LEU 33 CO 0.60 -0.04 1.05 -0.83 0.23 0.00 0.00 176.35 177.37 1b97 s GLY 34 N -2.81 1.76 0.03 -3.19 0.00 -1.26 -4.77 107.32 97.08 1b97 s GLY 34 Ca 0.41 -1.47 0.09 0.00 0.00 0.00 0.00 44.72 43.74 1b97 s GLY 34 CO 0.27 -0.91 0.94 1.76 0.00 0.00 0.00 173.10 175.16 1b97 h SER 35 N -0.73 0.04 -1.33 1.64 0.02 -1.98 -3.45 113.55 107.76 1b97 h SER 35 Ca -0.40 -0.06 -0.43 0.00 -0.84 0.00 0.00 61.79 60.07 1b97 h SER 35 Cb 1.27 -0.01 0.20 0.00 0.14 0.00 0.00 62.40 64.00 1b97 h SER 35 CO 0.43 1.05 -1.76 0.47 -1.14 0.00 0.00 176.83 175.88 1b97 n ASP 36 N -3.22 -4.02 0.09 3.07 9.92 -1.26 -4.82 116.55 116.31 1b97 n ASP 36 Ca -0.10 0.09 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1b97 n ASP 36 Cb 1.00 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 1b97 n ASP 36 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1b97 h THR 37 N -0.81 0.73 -0.66 -3.53 2.02 -1.97 -2.60 112.91 106.09 1b97 h THR 37 Ca -0.34 -2.15 -0.06 0.00 0.77 0.00 0.00 66.41 64.63 1b97 h THR 37 Cb 1.08 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 1b97 h THR 37 CO 0.18 0.42 0.20 0.50 0.37 0.00 0.00 175.52 177.18 1b97 h LYS 38 N 0.00 1.04 0.03 6.66 3.64 -1.99 0.63 116.57 126.58 1b97 h LYS 38 Ca -0.07 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1b97 h LYS 38 Cb 1.48 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1b97 h LYS 38 CO 0.06 0.91 -0.01 0.28 -2.27 0.00 0.00 179.45 178.42 1b97 h VAL 39 N 0.97 1.33 -0.24 2.00 2.07 -1.91 -3.25 116.25 117.23 1b97 h VAL 39 Ca 0.21 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 1b97 h VAL 39 Cb 0.31 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1b97 h VAL 39 CO -0.00 0.29 -0.25 -0.07 0.02 0.00 0.00 177.57 177.56 1b97 h LEU 40 N -0.54 0.44 -0.74 2.57 3.38 -1.20 -2.09 115.31 117.13 1b97 h LEU 40 Ca -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1b97 h LEU 40 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1b97 h LEU 40 CO 0.01 0.69 0.35 0.77 0.09 0.00 0.00 178.44 180.35 1b97 h SER 41 N 0.39 0.97 -0.42 -0.43 4.64 0.16 0.07 113.55 118.93 1b97 h SER 41 Ca 0.06 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1b97 h SER 41 Cb 0.64 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1b97 h SER 41 CO 0.05 0.84 0.24 0.74 -0.87 0.00 0.00 176.83 177.82 1b97 h THR 42 N 1.04 1.15 -0.56 2.95 2.02 -1.53 -1.82 112.91 116.16 1b97 h THR 42 Ca 0.25 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1b97 h THR 42 Cb 0.12 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1b97 h THR 42 CO -0.03 0.15 0.17 0.40 0.37 0.00 0.00 175.52 176.59 1b97 h ILE 43 N 0.55 1.24 0.00 3.11 1.08 -0.93 -1.99 117.51 120.56 1b97 h ILE 43 Ca 0.15 -0.80 -0.09 0.00 -0.39 0.00 0.00 64.86 63.73 1b97 h ILE 43 Cb 0.04 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1b97 h ILE 43 CO -0.03 0.30 -0.41 -0.26 -0.69 0.00 0.00 178.15 177.06 1b97 h PHE 44 N 0.78 0.00 -0.22 1.37 0.04 -0.91 -1.47 116.94 116.54 1b97 h PHE 44 Ca 0.18 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.80 1b97 h PHE 44 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1b97 h PHE 44 CO 0.02 0.41 -0.47 0.93 -0.60 0.00 0.00 178.31 178.60 1b97 h GLU 45 N 0.00 0.70 -0.22 1.51 4.39 -1.07 -2.70 114.58 117.18 1b97 h GLU 45 Ca -0.00 -0.46 -0.12 0.00 0.34 0.00 0.00 59.36 59.11 1b97 h GLU 45 Cb 0.83 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1b97 h GLU 45 CO 0.05 1.08 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.53 1b97 h LEU 46 N 0.41 0.53 -1.03 1.33 3.38 -1.18 -2.88 115.31 115.86 1b97 h LEU 46 Ca 0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1b97 h LEU 46 Cb 1.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1b97 h LEU 46 CO 0.10 0.86 -0.07 0.15 0.09 0.00 0.00 178.44 179.57 1b97 h PHE 47 N 0.42 0.65 0.00 1.13 3.57 -1.28 -3.13 116.94 118.30 1b97 h PHE 47 Ca 0.04 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1b97 h PHE 47 Cb 0.86 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1b97 h PHE 47 CO 0.03 0.67 -0.55 0.77 -2.23 0.00 0.00 178.31 177.00 1b97 h SER 48 N 0.57 0.00 -0.11 0.41 0.02 -1.37 -3.40 113.55 109.67 1b97 h SER 48 Ca 0.11 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1b97 h SER 48 Cb 0.47 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1b97 h SER 48 CO 0.03 0.40 -0.53 0.03 -1.14 0.00 0.00 176.83 175.62 1b97 h ARG 49 N 0.00 -0.57 -0.87 3.45 3.08 -1.45 -1.12 114.38 116.91 1b97 h ARG 49 Ca -0.02 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1b97 h ARG 49 Cb 1.32 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 1b97 h ARG 49 CO 0.05 -0.38 0.58 -1.35 -1.07 0.00 0.00 179.97 177.79 1b97 h PRO 50 N -0.59 1.15 0.38 0.04 0.11 -1.77 -1.65 132.00 129.67 1b97 h PRO 50 Ca 0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1b97 h PRO 50 Cb 0.68 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1b97 h PRO 50 CO -0.42 0.76 -0.31 0.82 -0.21 0.00 0.00 178.00 178.65 1b97 h ILE 51 N 1.18 0.36 -0.70 4.15 2.04 -1.70 -1.17 117.51 121.67 1b97 h ILE 51 Ca 0.32 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1b97 h ILE 51 Cb -0.13 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.23 1b97 h ILE 51 CO -0.07 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.81 1b97 h ILE 52 N -0.69 0.81 -0.54 -0.67 2.04 -0.99 -1.69 117.51 115.78 1b97 h ILE 52 Ca -0.03 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1b97 h ILE 52 Cb 0.60 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1b97 h ILE 52 CO -0.02 0.10 0.05 -1.13 0.00 0.00 0.00 178.15 177.15 1b97 h ASN 53 N 0.55 0.89 -0.03 1.72 -1.24 -1.06 -1.96 115.58 114.45 1b97 h ASN 53 Ca 0.35 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1b97 h ASN 53 Cb 0.40 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1b97 h ASN 53 CO -0.29 0.95 0.01 0.50 -1.29 0.00 0.00 177.43 177.31 1b97 h LYS 54 N 0.81 0.04 -0.52 6.67 3.64 -0.71 -1.13 116.57 125.37 1b97 h LYS 54 Ca 0.16 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1b97 h LYS 54 Cb 0.46 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1b97 h LYS 54 CO 0.02 0.15 -0.04 0.82 -2.27 0.00 0.00 179.45 178.13 1b97 h ILE 55 N -0.09 1.26 -0.59 2.00 1.08 -1.35 -2.38 117.51 117.43 1b97 h ILE 55 Ca 0.01 -1.12 -0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1b97 h ILE 55 Cb 0.13 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1b97 h ILE 55 CO -0.00 0.40 0.09 0.00 -0.69 0.00 0.00 178.15 177.95 1b97 h ALA 56 N 1.13 0.79 -0.71 1.87 0.00 -1.25 -2.71 119.26 118.38 1b97 h ALA 56 Ca 0.15 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1b97 h ALA 56 Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1b97 h ALA 56 CO 0.03 0.55 0.46 0.93 0.00 0.00 0.00 179.25 181.22 1b97 h GLU 57 N 0.89 0.94 -0.86 0.00 5.08 -1.01 0.89 114.58 120.51 1b97 h GLU 57 Ca 0.18 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1b97 h GLU 57 Cb 0.43 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1b97 h GLU 57 CO 0.01 0.63 0.50 -0.22 -1.00 0.00 0.00 179.01 178.93 1b97 h LYS 58 N 0.96 0.81 -0.07 2.33 3.64 -1.13 -1.41 116.57 121.71 1b97 h LYS 58 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1b97 h LYS 58 Cb -0.10 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1b97 h LYS 58 CO -0.05 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.38 1b97 n HIS 59 N -4.72 0.08 -1.86 1.91 8.25 -1.02 -4.95 115.22 112.91 1b97 n HIS 59 Ca 0.14 -0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1b97 n HIS 59 Cb 0.29 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 1b97 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b97 n GLY 60 N 1.14 0.35 3.81 -1.41 0.00 -0.44 -5.05 105.19 103.58 1b97 n GLY 60 Ca 0.18 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1b97 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b97 s TYR 61 N -2.06 3.41 0.35 1.61 1.51 0.18 -4.59 117.35 117.76 1b97 s TYR 61 Ca 0.00 0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 56.23 1b97 s TYR 61 Cb 0.00 -1.85 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 1b97 s TYR 61 CO 0.00 0.62 0.83 0.42 -1.11 0.00 0.00 175.55 176.30 1b97 s ILE 62 N -1.05 4.53 -0.14 2.71 1.09 0.17 -4.04 121.20 124.47 1b97 s ILE 62 Ca 0.17 1.23 0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1b97 s ILE 62 Cb -0.12 -3.66 0.01 0.00 -1.06 0.00 0.00 42.46 37.63 1b97 s ILE 62 CO 0.07 -0.18 -0.20 -0.69 -0.10 0.00 0.00 174.94 173.84 1b97 s VAL 63 N -1.99 2.26 -0.07 2.92 1.01 -1.26 -1.83 120.40 121.44 1b97 s VAL 63 Ca 0.56 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1b97 s VAL 63 Cb -0.11 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1b97 s VAL 63 CO 0.17 0.54 -0.16 -1.61 0.00 0.00 0.00 175.10 174.04 1b97 s GLU 64 N 0.77 2.09 0.30 2.72 2.02 -0.12 -4.96 118.70 121.51 1b97 s GLU 64 Ca -0.08 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.36 1b97 s GLU 64 Cb -0.16 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1b97 s GLU 64 CO -0.00 0.08 0.50 -1.21 0.02 0.00 0.00 175.26 174.64 1b97 s GLU 65 N 0.55 3.51 0.22 1.61 2.02 -1.26 -1.20 118.70 124.16 1b97 s GLU 65 Ca -0.16 -0.31 -0.32 0.00 0.02 0.00 0.00 54.97 54.21 1b97 s GLU 65 Cb -0.16 -2.71 -0.13 0.00 0.10 0.00 0.00 34.13 31.22 1b97 s GLU 65 CO 0.05 0.23 1.56 -2.30 0.02 0.00 0.00 175.26 174.83 1b97 n PRO 66 N -1.37 2.35 0.07 0.39 -0.02 -1.26 -4.88 135.00 130.27 1b97 n PRO 66 Ca -0.05 0.84 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1b97 n PRO 66 Cb 0.55 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 1b97 n PRO 66 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1b97 h LYS 67 N 5.34 0.09 -5.89 -0.52 2.10 -1.96 -3.45 116.57 112.30 1b97 h LYS 67 Ca -0.45 -0.16 -0.64 0.00 -2.00 0.00 0.00 60.65 57.40 1b97 h LYS 67 Cb 1.24 0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.57 1b97 h LYS 67 CO 0.84 1.03 -0.52 -0.65 -2.00 0.00 0.00 179.45 178.16 1b97 s GLN 68 N -2.68 3.32 0.94 0.07 1.11 -1.26 -5.11 119.66 116.05 1b97 s GLN 68 Ca -0.02 -0.40 -0.13 0.00 0.01 0.00 0.00 55.36 54.83 1b97 s GLN 68 Cb 0.09 -3.01 0.16 0.00 -1.01 0.00 0.00 33.01 29.23 1b97 s GLN 68 CO 0.84 0.65 1.14 -0.51 0.01 0.00 0.00 175.29 177.42 1b97 s LEU 69 N -2.00 1.91 -1.11 2.90 1.02 -1.26 -3.81 118.68 116.32 1b97 s LEU 69 Ca 0.27 0.94 -0.04 0.00 0.02 0.00 0.00 54.13 55.32 1b97 s LEU 69 Cb -0.12 -3.20 0.03 0.00 0.02 0.00 0.00 46.19 42.92 1b97 s LEU 69 CO 0.19 -2.72 0.23 -0.46 0.02 0.00 0.00 176.35 173.61 1b97 n ASN 70 N -3.87 -3.75 -4.11 2.29 0.23 -1.26 -4.98 115.26 99.81 1b97 n ASN 70 Ca 0.07 -0.05 -0.28 0.00 -0.53 0.00 0.00 54.58 53.78 1b97 n ASN 70 Cb 0.59 -3.15 -0.17 0.00 -2.08 0.00 0.00 39.78 34.98 1b97 n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1b97 s HIS 71 N -2.74 2.02 0.37 -2.53 3.76 -1.25 -4.79 115.29 110.13 1b97 s HIS 71 Ca 0.18 -0.85 -0.18 0.00 -0.15 0.00 0.00 55.06 54.06 1b97 s HIS 71 Cb -0.09 -1.41 -0.10 0.00 1.11 0.00 0.00 32.58 32.08 1b97 s HIS 71 CO 0.22 -0.39 0.84 -0.47 -0.85 0.00 0.00 174.74 174.09 1b97 s TYR 72 N 0.64 3.36 0.39 1.40 6.14 -0.37 -4.66 117.35 124.25 1b97 s TYR 72 Ca -0.14 1.42 0.06 0.00 0.64 0.00 0.00 57.07 59.04 1b97 s TYR 72 Cb -0.16 -2.69 0.06 0.00 0.42 0.00 0.00 41.96 39.58 1b97 s TYR 72 CO 0.04 0.01 0.46 -0.35 0.64 0.00 0.00 175.55 176.35 1b97 n PRO 73 N -0.44 0.79 0.05 4.97 -0.04 -1.26 -0.85 135.00 138.23 1b97 n PRO 73 Ca 0.05 -2.23 -0.11 0.00 -0.04 0.00 0.00 63.50 61.17 1b97 n PRO 73 Cb 0.53 -0.03 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1b97 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b97 h ASP 74 N 0.19 -0.25 -3.55 3.54 3.32 -1.77 -3.39 116.42 114.51 1b97 h ASP 74 Ca -0.20 0.04 -0.43 0.00 0.02 0.00 0.00 57.03 56.45 1b97 h ASP 74 Cb 0.87 0.11 -0.33 0.00 0.22 0.00 0.00 39.33 40.19 1b97 h ASP 74 CO 0.30 -0.13 -0.78 -0.36 -1.72 0.00 0.00 179.24 176.55 1b97 s PHE 75 N -6.16 0.95 -0.23 4.55 0.08 -0.14 -4.34 117.98 112.69 1b97 s PHE 75 Ca -0.14 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.59 1b97 s PHE 75 Cb 0.08 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1b97 s PHE 75 CO 0.66 -0.18 -0.02 0.99 -0.10 0.00 0.00 175.22 176.57 1b97 s THR 76 N 0.64 3.51 -0.12 0.64 2.01 -0.34 -0.92 115.64 121.05 1b97 s THR 76 Ca -0.10 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1b97 s THR 76 Cb -0.13 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1b97 s THR 76 CO 0.01 0.38 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.56 1b97 s LEU 77 N 1.49 3.47 -0.15 4.42 1.02 0.31 -0.94 118.68 128.31 1b97 s LEU 77 Ca 0.05 0.03 -0.29 0.00 0.02 0.00 0.00 54.13 53.95 1b97 s LEU 77 Cb -0.15 -1.82 0.09 0.00 0.02 0.00 0.00 46.19 44.33 1b97 s LEU 77 CO -0.02 0.28 0.79 -0.72 0.02 0.00 0.00 176.35 176.70 1b97 s TYR 78 N -0.29 -0.61 0.12 0.29 1.13 -0.76 -0.77 117.35 116.45 1b97 s TYR 78 Ca 0.06 1.20 -0.10 0.00 -1.41 0.00 0.00 57.07 56.82 1b97 s TYR 78 Cb -0.12 0.38 -0.06 0.00 -1.10 0.00 0.00 41.96 41.06 1b97 s TYR 78 CO 0.02 -0.46 0.44 0.15 -2.51 0.00 0.00 175.55 173.19 1b97 s LYS 79 N -0.68 3.79 0.44 -3.49 1.02 -1.26 0.41 119.74 119.97 1b97 s LYS 79 Ca -0.05 0.22 0.15 0.00 0.02 0.00 0.00 55.97 56.31 1b97 s LYS 79 Cb -0.02 -2.93 0.97 0.00 -0.52 0.00 0.00 37.83 35.34 1b97 s LYS 79 CO 0.05 0.51 1.97 -1.00 -0.92 0.00 0.00 175.35 175.95 1b97 h PRO 80 N 3.45 0.00 -0.37 -1.68 0.13 -1.99 -2.74 132.00 128.81 1b97 h PRO 80 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1b97 h PRO 80 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1b97 h PRO 80 CO 0.67 0.21 0.05 0.66 -0.23 0.00 0.00 178.00 179.36 1b97 h SER 81 N 0.00 0.61 -4.06 1.44 4.64 -1.96 -3.38 113.55 110.83 1b97 h SER 81 Ca -0.00 -0.27 -0.66 0.00 -0.47 0.00 0.00 61.79 60.39 1b97 h SER 81 Cb 0.38 -0.16 -0.40 0.00 -0.31 0.00 0.00 62.40 61.91 1b97 h SER 81 CO 0.03 0.73 -0.63 -1.83 -0.87 0.00 0.00 176.83 174.25 1b97 s GLU 82 N -5.14 1.86 0.29 4.77 -1.05 -1.03 -4.95 118.70 113.45 1b97 s GLU 82 Ca -0.13 -2.31 0.25 0.00 -0.15 0.00 0.00 54.97 52.64 1b97 s GLU 82 Cb 0.10 -3.34 0.98 0.00 -0.44 0.00 0.00 34.13 31.43 1b97 s GLU 82 CO 0.77 -1.05 1.76 -1.00 0.95 0.00 0.00 175.26 176.69 1b97 h PRO 83 N 7.03 0.00 -0.60 -4.83 0.13 -1.76 -3.00 132.00 128.97 1b97 h PRO 83 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1b97 h PRO 83 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1b97 h PRO 83 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1b97 n ASN 84 N -2.39 5.06 -1.90 1.44 3.02 -1.26 -4.29 115.26 114.94 1b97 n ASN 84 Ca 0.03 -2.64 -0.22 0.00 -0.03 0.00 0.00 54.58 51.72 1b97 n ASN 84 Cb 0.29 -0.61 0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1b97 n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1b97 n LYS 85 N 0.86 3.44 -2.27 3.52 4.76 -1.13 -4.52 118.16 122.82 1b97 n LYS 85 Ca 0.26 -4.09 -0.37 0.00 -2.87 0.00 0.00 58.31 51.24 1b97 n LYS 85 Cb 1.00 -2.22 -0.01 0.00 -1.84 0.00 0.00 35.03 31.95 1b97 n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b97 s LYS 86 N -3.57 3.72 -0.13 1.97 1.02 -0.71 -4.68 119.74 117.36 1b97 s LYS 86 Ca 0.50 1.75 0.01 0.00 0.02 0.00 0.00 55.97 58.25 1b97 s LYS 86 Cb 0.41 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1b97 s LYS 86 CO 0.03 -0.58 -0.16 0.42 -0.92 0.00 0.00 175.35 174.15 1b97 s ILE 87 N -1.58 2.71 -0.18 2.17 1.01 0.05 -0.59 121.20 124.79 1b97 s ILE 87 Ca 0.64 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1b97 s ILE 87 Cb -0.28 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1b97 s ILE 87 CO 0.34 0.53 0.06 0.00 0.00 0.00 0.00 174.94 175.86 1b97 s ALA 88 N 0.54 3.39 -0.14 9.38 0.00 -0.71 -0.53 121.76 133.70 1b97 s ALA 88 Ca -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1b97 s ALA 88 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.06 1b97 s ALA 88 CO 0.04 0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.20 1b97 s ILE 89 N 0.41 1.77 -0.07 0.00 1.01 -0.10 -0.15 121.20 124.07 1b97 s ILE 89 Ca 0.03 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1b97 s ILE 89 Cb -0.12 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1b97 s ILE 89 CO 0.00 0.49 -0.25 -0.62 0.00 0.00 0.00 174.94 174.57 1b97 s ASP 90 N 1.13 3.06 -0.21 3.58 2.15 -0.79 -0.96 116.67 124.62 1b97 s ASP 90 Ca -0.02 -0.53 -0.13 0.00 0.43 0.00 0.00 52.55 52.30 1b97 s ASP 90 Cb -0.14 -1.02 -0.04 0.00 -0.30 0.00 0.00 42.92 41.41 1b97 s ASP 90 CO -0.06 0.22 0.29 -0.63 -0.17 0.00 0.00 175.17 174.81 1b97 s ILE 91 N 0.00 5.28 -0.02 4.11 1.01 -1.26 -1.06 121.20 129.26 1b97 s ILE 91 Ca -0.09 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1b97 s ILE 91 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1b97 s ILE 91 CO 0.05 0.31 -0.18 -0.54 0.00 0.00 0.00 174.94 174.58 1b97 s LYS 92 N 1.11 1.49 0.14 2.79 -0.14 -0.11 -4.97 119.74 120.05 1b97 s LYS 92 Ca 0.14 -0.64 0.09 0.00 -1.36 0.00 0.00 55.97 54.20 1b97 s LYS 92 Cb -0.14 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 1b97 s LYS 92 CO 0.06 0.37 -0.20 0.99 -0.76 0.00 0.00 175.35 175.81 1b97 s THR 93 N -0.37 1.84 0.27 2.17 2.01 -1.26 -0.73 115.64 119.56 1b97 s THR 93 Ca 0.06 -1.75 -0.19 0.00 0.31 0.00 0.00 61.69 60.12 1b97 s THR 93 Cb -0.07 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1b97 s THR 93 CO -0.00 -0.16 0.65 0.28 -0.69 0.00 0.00 174.62 174.69 1b97 s THR 94 N -1.57 0.00 0.35 -0.82 -1.32 -0.76 -4.93 115.64 106.60 1b97 s THR 94 Ca 0.12 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1b97 s THR 94 Cb -0.08 -2.03 -0.07 0.00 -1.51 0.00 0.00 72.50 68.81 1b97 s THR 94 CO 0.06 -0.00 -0.05 -0.72 -2.21 0.00 0.00 174.62 171.70 1b97 s TYR 95 N -3.94 2.35 0.08 9.09 1.13 -1.26 -2.01 117.35 122.78 1b97 s TYR 95 Ca 0.14 -0.61 0.05 0.00 -1.41 0.00 0.00 57.07 55.24 1b97 s TYR 95 Cb -0.04 -1.46 -0.03 0.00 -1.10 0.00 0.00 41.96 39.32 1b97 s TYR 95 CO 0.07 0.46 -0.13 0.95 -2.51 0.00 0.00 175.55 174.39 1b97 s THR 96 N -2.74 1.12 -0.08 -3.49 -4.23 -0.28 -4.89 115.64 101.06 1b97 s THR 96 Ca 0.33 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1b97 s THR 96 Cb 0.05 -1.19 -0.25 0.00 1.34 0.00 0.00 72.50 72.45 1b97 s THR 96 CO 0.16 -0.31 0.54 0.78 -0.54 0.00 0.00 174.62 175.25 1b97 h ASN 97 N 4.04 0.23 -4.17 3.99 2.35 -1.92 -1.94 115.58 118.15 1b97 h ASN 97 Ca -0.40 -0.50 -0.40 0.00 -0.55 0.00 0.00 56.30 54.45 1b97 h ASN 97 Cb 1.19 -0.07 -0.19 0.00 0.05 0.00 0.00 38.32 39.30 1b97 h ASN 97 CO 0.44 1.45 -0.76 -0.54 -1.65 0.00 0.00 177.43 176.37 1b97 s LYS 98 N -2.58 0.96 0.00 0.81 1.02 -1.26 -4.68 119.74 114.01 1b97 s LYS 98 Ca -0.13 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.68 1b97 s LYS 98 Cb 0.07 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1b97 s LYS 98 CO 0.80 0.16 0.85 0.39 -0.92 0.00 0.00 175.35 176.64 1b97 n GLU 99 N 0.67 0.00 -1.62 1.68 -0.58 -1.26 -2.98 120.64 116.54 1b97 n GLU 99 Ca -0.17 0.85 -0.30 0.00 -0.42 0.00 0.00 57.16 57.13 1b97 n GLU 99 Cb 0.57 -1.34 -0.04 0.00 -0.57 0.00 0.00 31.44 30.05 1b97 n GLU 99 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b97 n ASN 100 N -2.50 6.87 -4.64 1.62 3.02 -1.26 -4.92 115.26 113.45 1b97 n ASN 100 Ca 0.00 -3.19 -0.34 0.00 -0.03 0.00 0.00 54.58 51.03 1b97 n ASN 100 Cb 0.00 -1.27 -0.10 0.00 -0.61 0.00 0.00 39.78 37.80 1b97 n ASN 100 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1b97 s GLU 101 N -1.56 2.81 0.61 3.52 2.02 -1.16 -5.04 118.70 119.90 1b97 s GLU 101 Ca 0.58 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.84 1b97 s GLU 101 Cb 0.33 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 1b97 s GLU 101 CO -0.19 0.66 1.27 1.63 0.02 0.00 0.00 175.26 178.65 1b97 n LYS 102 N 1.94 1.27 -4.45 1.61 5.02 -1.26 -4.71 118.16 117.57 1b97 n LYS 102 Ca -0.17 0.48 -0.22 0.00 -2.02 0.00 0.00 58.31 56.39 1b97 n LYS 102 Cb 0.53 -2.49 -0.10 0.00 -0.02 0.00 0.00 35.03 32.94 1b97 n LYS 102 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1b97 s ILE 103 N -1.37 1.04 -0.03 -0.18 -4.36 -0.29 -4.87 121.20 111.13 1b97 s ILE 103 Ca 0.78 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 1b97 s ILE 103 Cb -0.40 -2.71 0.05 0.00 1.25 0.00 0.00 42.46 40.65 1b97 s ILE 103 CO 0.44 0.00 0.52 -1.59 0.24 0.00 0.00 174.94 174.55 1b97 s LYS 104 N -3.88 0.90 0.25 0.37 -2.85 -1.26 -2.12 119.74 111.14 1b97 s LYS 104 Ca 0.35 0.06 0.11 0.00 -1.00 0.00 0.00 55.97 55.49 1b97 s LYS 104 Cb 0.08 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 1b97 s LYS 104 CO 0.15 -0.27 -0.20 -0.06 0.10 0.00 0.00 175.35 175.07 1b97 s PHE 105 N -1.28 2.18 -0.16 1.78 0.40 -1.26 -4.88 117.98 114.75 1b97 s PHE 105 Ca -0.12 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.67 1b97 s PHE 105 Cb -0.02 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 1b97 s PHE 105 CO 0.07 0.60 0.39 0.95 0.70 0.00 0.00 175.22 177.94 1b97 s THR 106 N -2.40 5.23 -0.42 0.64 -4.23 -1.26 -1.89 115.64 111.31 1b97 s THR 106 Ca 0.26 0.73 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 1b97 s THR 106 Cb -0.05 -3.73 0.51 0.00 1.34 0.00 0.00 72.50 70.57 1b97 s THR 106 CO 0.12 0.31 1.64 0.18 -0.54 0.00 0.00 174.62 176.34 1b97 n LEU 107 N 3.97 5.73 0.00 4.79 4.77 0.38 -4.96 117.00 131.69 1b97 n LEU 107 Ca -0.09 -4.10 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1b97 n LEU 107 Cb 0.51 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1b97 n LEU 107 CO 0.41 1.47 0.00 0.61 -1.33 0.00 0.00 177.39 178.55 1b97 n GLY 108 N -0.99 0.49 3.76 -0.72 0.00 -1.26 -4.66 105.19 101.81 1b97 n GLY 108 Ca 0.48 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1b97 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b97 s GLY 109 N -1.41 2.40 0.00 -0.02 0.00 -1.26 0.18 107.32 107.21 1b97 s GLY 109 Ca 0.00 0.74 0.20 0.00 0.00 0.00 0.00 44.72 45.66 1b97 s GLY 109 CO 0.00 1.10 1.01 1.58 0.00 0.00 0.00 173.10 176.79 1b97 n TYR 110 N -2.03 0.00 0.24 1.90 0.18 -0.63 -4.51 117.16 112.30 1b97 n TYR 110 Ca 0.12 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.94 1b97 n TYR 110 Cb 0.51 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.52 1b97 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b97 n THR 111 N 0.07 0.23 0.00 -3.48 -2.24 -1.26 -4.54 114.28 103.06 1b97 n THR 111 Ca 0.09 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1b97 n THR 111 Cb 0.43 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1b97 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b97 n SER 112 N 0.42 0.00 0.31 3.42 3.41 -1.26 -4.55 113.62 115.37 1b97 n SER 112 Ca 0.06 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1b97 n SER 112 Cb 0.25 0.00 1.02 0.00 -0.26 0.00 0.00 64.21 65.22 1b97 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b97 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.57 0.12 116.94 117.67 1b97 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b97 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b97 h PHE 113 CO 0.00 0.01 0.00 -0.84 -2.00 0.00 0.00 178.31 175.48 1b97 h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.86 -3.22 117.51 116.38 1b97 h ILE 114 Ca -0.00 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1b97 h ILE 114 Cb 0.04 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 1b97 h ILE 114 CO 0.00 0.00 -1.51 0.54 -1.05 0.00 0.00 178.15 176.13 1b97 n ARG 115 N -2.60 0.41 -3.73 0.16 1.74 -0.05 -4.92 116.66 107.66 1b97 n ARG 115 Ca 0.03 -0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.78 1b97 n ARG 115 Cb 0.38 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 30.37 1b97 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b97 s ASN 116 N -3.32 1.76 0.35 0.55 3.84 0.23 -5.05 114.94 113.30 1b97 s ASN 116 Ca -0.04 -0.20 0.14 0.00 0.21 0.00 0.00 52.86 52.96 1b97 s ASN 116 Cb 0.07 -0.39 1.01 0.00 -0.55 0.00 0.00 41.25 41.40 1b97 s ASN 116 CO 0.48 -0.23 1.72 -1.13 -2.79 0.00 0.00 177.10 175.15 1b97 h ASN 117 N 8.34 0.57 -0.28 -4.21 -1.24 -1.86 -2.12 115.58 114.78 1b97 h ASN 117 Ca -0.17 0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1b97 h ASN 117 Cb 1.13 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1b97 h ASN 117 CO 0.25 0.03 0.00 0.35 -1.29 0.00 0.00 177.43 176.78 1b97 n THR 118 N -4.85 1.76 -3.25 -3.57 -2.24 -1.26 -0.81 114.28 100.06 1b97 n THR 118 Ca 0.28 -1.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 1b97 n THR 118 Cb 0.87 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1b97 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b97 s LYS 119 N -2.10 3.80 -1.46 -0.78 2.20 -0.80 -4.27 119.74 116.33 1b97 s LYS 119 Ca 0.34 0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.89 1b97 s LYS 119 Cb 0.25 -3.75 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1b97 s LYS 119 CO 0.11 -0.53 0.83 0.09 -0.36 0.00 0.00 175.35 175.50 1b97 n ASN 120 N 5.66 -5.76 -3.95 1.43 4.13 -1.26 -2.26 115.26 113.26 1b97 n ASN 120 Ca -0.05 -0.45 -0.14 0.00 1.68 0.00 0.00 54.58 55.62 1b97 n ASN 120 Cb 0.49 -4.61 -0.14 0.00 -1.54 0.00 0.00 39.78 33.99 1b97 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b97 s ILE 121 N -3.21 0.28 0.13 2.41 2.07 -1.26 -1.23 121.20 120.38 1b97 s ILE 121 Ca 0.46 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 59.17 1b97 s ILE 121 Cb -0.21 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 1b97 s ILE 121 CO 0.57 -0.05 1.74 0.58 -1.91 0.00 0.00 174.94 175.87 1b97 h VAL 122 N 4.94 1.11 -3.47 4.00 2.07 -1.29 -3.44 116.25 120.19 1b97 h VAL 122 Ca -0.28 -0.28 -0.56 0.00 0.82 0.00 0.00 66.70 66.40 1b97 h VAL 122 Cb 1.20 0.78 -0.19 0.00 -1.52 0.00 0.00 31.29 31.56 1b97 h VAL 122 CO 0.48 0.11 -0.80 -0.31 0.02 0.00 0.00 177.57 177.07 1b97 s TYR 123 N -5.94 1.91 0.17 1.57 2.02 -1.26 -5.08 117.35 110.74 1b97 s TYR 123 Ca -0.13 -0.43 -0.31 0.00 -0.37 0.00 0.00 57.07 55.82 1b97 s TYR 123 Cb 0.09 -0.98 -0.17 0.00 -0.40 0.00 0.00 41.96 40.51 1b97 s TYR 123 CO 0.71 0.33 0.90 -2.30 -1.57 0.00 0.00 175.55 173.62 1b97 n PRO 124 N 0.51 0.61 -0.12 -1.71 -0.02 -1.26 -4.84 135.00 128.17 1b97 n PRO 124 Ca -0.15 0.21 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1b97 n PRO 124 Cb 0.56 -1.52 0.42 0.00 -0.02 0.00 0.00 33.50 32.94 1b97 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b97 h PHE 125 N 2.24 0.61 0.00 6.00 3.57 -1.31 -2.14 116.94 125.92 1b97 h PHE 125 Ca -0.39 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1b97 h PHE 125 Cb 1.39 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1b97 h PHE 125 CO 0.49 0.32 0.00 -0.40 -2.23 0.00 0.00 178.31 176.49 1b97 n ASP 126 N -4.48 0.00 0.00 0.41 5.75 -1.26 -2.09 116.55 114.88 1b97 n ASP 126 Ca 0.09 -0.28 0.12 0.00 -0.01 0.00 0.00 54.79 54.71 1b97 n ASP 126 Cb 0.25 -0.14 0.27 0.00 -1.03 0.00 0.00 41.12 40.47 1b97 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b97 n GLN 127 N -1.14 0.02 -3.58 0.11 6.02 -0.80 -4.86 117.38 113.15 1b97 n GLN 127 Ca 0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 1b97 n GLN 127 Cb 0.10 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 1b97 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b97 s TYR 128 N -3.01 3.50 -0.95 1.08 1.51 -0.89 -1.75 117.35 116.84 1b97 s TYR 128 Ca 0.11 0.61 0.14 0.00 -1.01 0.00 0.00 57.07 56.91 1b97 s TYR 128 Cb 0.17 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 1b97 s TYR 128 CO 0.69 0.33 0.67 0.44 -1.11 0.00 0.00 175.55 176.56 1b97 n ILE 129 N 3.26 0.00 -3.70 2.71 -5.35 0.24 -4.89 119.36 111.62 1b97 n ILE 129 Ca -0.13 -0.27 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 1b97 n ILE 129 Cb 0.52 1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 39.42 1b97 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b97 s ALA 130 N -1.99 -1.06 -0.32 -1.28 0.00 -1.23 -5.05 121.76 110.83 1b97 s ALA 130 Ca 0.08 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1b97 s ALA 130 Cb 0.11 -0.19 0.10 0.00 0.00 0.00 0.00 23.12 23.14 1b97 s ALA 130 CO 0.45 -0.26 0.12 -1.01 0.00 0.00 0.00 175.76 175.05 1b97 s HIS 131 N -0.81 1.49 -0.03 0.00 3.76 -1.26 -1.73 115.29 116.71 1b97 s HIS 131 Ca -0.09 -1.66 -0.03 0.00 -0.15 0.00 0.00 55.06 53.13 1b97 s HIS 131 Cb -0.04 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1b97 s HIS 131 CO 0.04 -0.86 0.17 -1.58 -0.85 0.00 0.00 174.74 171.66 1b97 s TRP 132 N 1.58 3.55 -0.23 1.40 0.51 0.78 -1.14 118.94 125.39 1b97 s TRP 132 Ca 0.11 0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 54.40 1b97 s TRP 132 Cb -0.18 -1.84 -0.02 0.00 -0.81 0.00 0.00 33.47 30.62 1b97 s TRP 132 CO -0.24 0.66 0.03 0.42 -0.51 0.00 0.00 176.95 177.30 1b97 s ILE 133 N -1.28 3.98 -0.45 2.03 -1.09 0.51 -1.89 121.20 123.01 1b97 s ILE 133 Ca 0.25 -0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 58.20 1b97 s ILE 133 Cb -0.13 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1b97 s ILE 133 CO 0.16 0.38 0.56 -0.63 -1.23 0.00 0.00 174.94 174.18 1b97 s ILE 134 N 1.49 4.94 -0.20 2.92 1.01 -0.23 -1.47 121.20 129.66 1b97 s ILE 134 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1b97 s ILE 134 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1b97 s ILE 134 CO 0.01 -0.58 0.10 -0.83 0.00 0.00 0.00 174.94 173.64 1b97 s GLY 135 N 2.08 1.96 -0.13 6.18 0.00 -0.24 -0.93 107.32 116.24 1b97 s GLY 135 Ca 0.17 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1b97 s GLY 135 CO 0.15 0.15 -0.09 -0.19 0.00 0.00 0.00 173.10 173.12 1b97 s TYR 136 N 0.50 2.89 -0.19 1.90 1.51 0.09 -1.20 117.35 122.85 1b97 s TYR 136 Ca 0.06 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1b97 s TYR 136 Cb -0.12 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1b97 s TYR 136 CO 0.00 -0.06 -0.13 0.08 -1.11 0.00 0.00 175.55 174.33 1b97 s VAL 137 N 0.15 1.77 0.17 0.71 1.01 -0.09 -1.82 120.40 122.30 1b97 s VAL 137 Ca -0.04 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1b97 s VAL 137 Cb -0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1b97 s VAL 137 CO 0.04 0.29 -0.03 -0.72 0.00 0.00 0.00 175.10 174.68 1b97 s TYR 138 N 1.36 2.79 -0.28 5.22 1.13 -0.85 -0.67 117.35 126.05 1b97 s TYR 138 Ca 0.01 -0.16 -0.11 0.00 -1.41 0.00 0.00 57.07 55.39 1b97 s TYR 138 Cb -0.15 -1.36 -0.05 0.00 -1.10 0.00 0.00 41.96 39.30 1b97 s TYR 138 CO -0.09 0.51 0.21 0.99 -2.51 0.00 0.00 175.55 174.66 1b97 s THR 139 N -1.71 5.30 0.60 -3.49 2.01 0.07 -1.12 115.64 117.30 1b97 s THR 139 Ca 0.27 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.28 1b97 s THR 139 Cb -0.09 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1b97 s THR 139 CO 0.18 0.24 1.32 -0.60 -0.69 0.00 0.00 174.62 175.07 1b97 s ARG 140 N 1.76 2.80 0.23 4.92 3.52 -0.73 -0.07 118.95 131.38 1b97 s ARG 140 Ca 0.08 2.14 -0.06 0.00 -0.13 0.00 0.00 55.73 57.75 1b97 s ARG 140 Cb -0.16 -2.02 -0.06 0.00 -1.56 0.00 0.00 34.95 31.15 1b97 s ARG 140 CO 0.11 -1.43 0.50 0.14 -0.81 0.00 0.00 175.30 173.81 1b97 s VAL 141 N -1.35 5.03 0.10 7.11 -7.23 -1.26 -4.54 120.40 118.26 1b97 s VAL 141 Ca 0.78 0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 60.98 1b97 s VAL 141 Cb -0.39 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 32.83 1b97 s VAL 141 CO 0.43 -0.13 1.51 0.00 -0.31 0.00 0.00 175.10 176.60 1b97 h ALA 142 N 2.30 0.43 -1.60 1.32 0.00 -1.97 -3.45 119.26 116.29 1b97 h ALA 142 Ca -0.47 -0.27 -0.65 0.00 0.00 0.00 0.00 54.91 53.52 1b97 h ALA 142 Cb 1.18 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 18.95 1b97 h ALA 142 CO 0.69 0.23 0.01 0.25 0.00 0.00 0.00 179.25 180.43 1b97 n THR 143 N -4.49 1.49 0.51 0.00 -2.24 -1.26 -4.88 114.28 103.41 1b97 n THR 143 Ca -0.03 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1b97 n THR 143 Cb 0.31 -0.64 0.01 0.00 -2.10 0.00 0.00 70.33 67.90 1b97 n THR 143 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b97 n ARG 144 N 1.19 1.81 -3.97 -0.78 1.74 -1.26 -4.86 116.66 110.53 1b97 n ARG 144 Ca 0.14 -0.73 -0.32 0.00 -0.77 0.00 0.00 57.85 56.18 1b97 n ARG 144 Cb 0.26 -1.15 -0.14 0.00 -1.02 0.00 0.00 32.46 30.41 1b97 n ARG 144 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1b97 s LYS 145 N -1.44 1.64 0.91 5.56 1.02 -1.26 -5.07 119.74 121.10 1b97 s LYS 145 Ca 0.10 -1.99 -0.12 0.00 0.02 0.00 0.00 55.97 53.98 1b97 s LYS 145 Cb 0.09 -3.29 0.14 0.00 -0.52 0.00 0.00 37.83 34.25 1b97 s LYS 145 CO 0.27 -0.99 1.11 -1.12 -0.92 0.00 0.00 175.35 173.71 1b97 s SER 146 N 0.85 3.46 0.16 2.83 0.01 -1.26 -4.96 113.70 114.79 1b97 s SER 146 Ca 0.12 1.21 -0.31 0.00 1.31 0.00 0.00 55.95 58.27 1b97 s SER 146 Cb -0.20 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.07 1b97 s SER 146 CO -0.06 -2.61 1.41 -0.55 0.41 0.00 0.00 173.24 171.84 1b97 s SER 147 N -3.72 6.77 -0.27 2.44 0.15 -1.26 -4.93 113.70 112.88 1b97 s SER 147 Ca 0.63 2.44 0.11 0.00 0.70 0.00 0.00 55.95 59.84 1b97 s SER 147 Cb -0.16 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.12 1b97 s SER 147 CO 0.55 -0.67 1.55 0.18 1.20 0.00 0.00 173.24 176.06 1b97 n LEU 148 N 3.46 4.64 -4.60 3.45 4.77 -1.26 -4.78 117.00 122.69 1b97 n LEU 148 Ca 0.10 -3.41 -0.27 0.00 -0.03 0.00 0.00 56.01 52.40 1b97 n LEU 148 Cb 0.41 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1b97 n LEU 148 CO 0.59 0.96 -0.28 -1.59 -1.33 0.00 0.00 177.39 175.75 1b97 s LYS 149 N -3.07 1.92 0.26 3.23 -2.85 -1.26 -5.13 119.74 112.84 1b97 s LYS 149 Ca 0.47 -2.11 0.09 0.00 -1.00 0.00 0.00 55.97 53.42 1b97 s LYS 149 Cb 0.40 -1.41 -0.04 0.00 -2.06 0.00 0.00 37.83 34.72 1b97 s LYS 149 CO 0.06 -0.14 0.08 0.95 0.10 0.00 0.00 175.35 176.40 1b97 s THR 150 N -2.89 3.84 0.20 3.79 -4.23 -1.26 -4.38 115.64 110.72 1b97 s THR 150 Ca 0.31 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1b97 s THR 150 Cb 0.08 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1b97 s THR 150 CO 0.15 -0.37 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.52 1b97 s TYR 151 N -2.25 1.47 0.45 3.99 1.51 -0.08 -4.97 117.35 117.47 1b97 s TYR 151 Ca 0.32 -0.85 0.07 0.00 -1.01 0.00 0.00 57.07 55.60 1b97 s TYR 151 Cb -0.07 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1b97 s TYR 151 CO 0.22 0.02 0.39 0.54 -1.11 0.00 0.00 175.55 175.61 1b97 s ASN 152 N -3.26 4.93 0.20 2.29 2.20 -1.26 -0.40 114.94 119.63 1b97 s ASN 152 Ca 0.24 -0.88 0.18 0.00 -0.94 0.00 0.00 52.86 51.46 1b97 s ASN 152 Cb 0.04 -0.31 0.83 0.00 -2.00 0.00 0.00 41.25 39.81 1b97 s ASN 152 CO 0.06 -0.78 1.54 -0.38 -2.94 0.00 0.00 177.10 174.60 1b97 n ILE 153 N -1.61 1.12 1.26 0.54 5.41 -1.26 -1.34 119.36 123.48 1b97 n ILE 153 Ca 0.03 0.45 0.13 0.00 1.00 0.00 0.00 62.75 64.36 1b97 n ILE 153 Cb 0.62 -1.39 0.33 0.00 -0.71 0.00 0.00 39.64 38.49 1b97 n ILE 153 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1b97 n ASN 154 N -2.01 1.71 -0.81 4.38 3.02 -1.26 -4.02 115.26 116.27 1b97 n ASN 154 Ca 0.01 -1.42 0.07 0.00 -0.03 0.00 0.00 54.58 53.21 1b97 n ASN 154 Cb 0.12 0.11 0.20 0.00 -0.61 0.00 0.00 39.78 39.59 1b97 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b97 n GLU 155 N 0.12 2.94 -0.32 3.52 1.02 -0.45 -4.75 120.64 122.72 1b97 n GLU 155 Ca 0.15 -2.30 0.23 0.00 -0.02 0.00 0.00 57.16 55.21 1b97 n GLU 155 Cb 0.41 -1.44 0.51 0.00 -0.02 0.00 0.00 31.44 30.90 1b97 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b97 h LEU 156 N 2.29 0.45 -0.25 -4.62 3.38 -1.70 0.15 115.31 115.01 1b97 h LEU 156 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1b97 h LEU 156 Cb 0.94 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1b97 h LEU 156 CO 0.06 0.09 -0.00 0.59 0.09 0.00 0.00 178.44 179.27 1b97 n ASN 157 N -4.63 0.40 0.05 -0.43 3.02 -1.26 -3.17 115.26 109.24 1b97 n ASN 157 Ca 0.25 -1.10 0.11 0.00 -0.03 0.00 0.00 54.58 53.81 1b97 n ASN 157 Cb 0.87 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 40.01 1b97 n ASN 157 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b97 n GLU 158 N -0.70 0.47 -2.33 3.52 1.02 0.52 -4.92 120.64 118.21 1b97 n GLU 158 Ca 0.22 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.93 1b97 n GLU 158 Cb 0.18 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 1b97 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b97 s ILE 159 N -3.32 4.05 0.21 -3.67 1.01 -1.19 -4.98 121.20 113.32 1b97 s ILE 159 Ca -0.00 1.21 -0.32 0.00 0.00 0.00 0.00 60.65 61.54 1b97 s ILE 159 Cb 0.13 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.50 1b97 s ILE 159 CO 0.82 -0.33 1.72 -2.16 0.00 0.00 0.00 174.94 174.99 1b97 s PRO 160 N 4.10 4.12 0.10 2.79 0.04 -1.26 -4.98 135.00 139.92 1b97 s PRO 160 Ca 0.60 2.61 -0.20 0.00 0.04 0.00 0.00 61.00 64.06 1b97 s PRO 160 Cb -0.21 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1b97 s PRO 160 CO 0.23 -0.75 0.60 0.15 0.04 0.00 0.00 177.00 177.26 1b97 s LYS 161 N 1.10 4.22 -0.02 4.56 1.02 -1.26 -4.73 119.74 124.64 1b97 s LYS 161 Ca 0.74 0.77 0.03 0.00 0.02 0.00 0.00 55.97 57.54 1b97 s LYS 161 Cb -0.50 -3.19 0.13 0.00 -0.52 0.00 0.00 37.83 33.75 1b97 s LYS 161 CO 0.33 0.60 0.94 -0.35 -0.92 0.00 0.00 175.35 175.95 1b97 n PRO 162 N 1.56 1.45 -3.97 -1.68 -0.04 -1.26 -4.83 135.00 126.23 1b97 n PRO 162 Ca -0.09 -0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 62.79 1b97 n PRO 162 Cb 0.51 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1b97 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b97 s TYR 163 N -1.62 0.27 -0.11 0.54 -0.85 -1.26 -4.36 117.35 109.96 1b97 s TYR 163 Ca 0.09 -0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 55.98 1b97 s TYR 163 Cb 0.06 -0.20 -0.26 0.00 0.38 0.00 0.00 41.96 41.94 1b97 s TYR 163 CO 0.05 -0.34 0.41 -0.22 -1.52 0.00 0.00 175.55 173.93 1b97 h LYS 164 N 3.75 0.25 -2.25 -3.49 3.64 -0.72 -3.46 116.57 114.29 1b97 h LYS 164 Ca -0.33 -0.43 0.03 0.00 -1.27 0.00 0.00 60.65 58.65 1b97 h LYS 164 Cb 1.18 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.99 1b97 h LYS 164 CO 0.51 1.16 0.35 0.20 -2.27 0.00 0.00 179.45 179.41 1b97 s GLY 165 N -5.52 -0.50 -0.02 5.01 0.00 -1.26 -4.97 107.32 100.07 1b97 s GLY 165 Ca -0.20 1.16 0.02 0.00 0.00 0.00 0.00 44.72 45.70 1b97 s GLY 165 CO 0.78 0.59 -0.09 0.14 0.00 0.00 0.00 173.10 174.52 1b97 s VAL 166 N -2.38 0.73 0.12 1.40 1.01 -1.26 -0.75 120.40 119.26 1b97 s VAL 166 Ca -0.02 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1b97 s VAL 166 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1b97 s VAL 166 CO -0.03 0.23 -0.21 -0.54 0.00 0.00 0.00 175.10 174.54 1b97 s LYS 167 N 0.11 1.19 0.05 2.72 1.02 0.16 -4.98 119.74 120.01 1b97 s LYS 167 Ca -0.02 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 54.78 1b97 s LYS 167 Cb -0.07 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 1b97 s LYS 167 CO 0.00 0.33 -0.10 0.54 -0.92 0.00 0.00 175.35 175.20 1b97 s VAL 168 N -1.30 0.74 0.11 3.17 0.11 -1.26 -0.91 120.40 121.06 1b97 s VAL 168 Ca 0.09 -1.15 -0.05 0.00 -2.93 0.00 0.00 61.98 57.94 1b97 s VAL 168 Cb -0.09 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1b97 s VAL 168 CO 0.05 -0.32 0.14 0.72 -3.33 0.00 0.00 175.10 172.36 1b97 s PHE 169 N -1.33 0.45 -0.10 1.54 -0.12 -0.34 -4.96 117.98 113.13 1b97 s PHE 169 Ca -0.07 -0.88 -0.00 0.00 -0.05 0.00 0.00 56.93 55.93 1b97 s PHE 169 Cb -0.10 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1b97 s PHE 169 CO 0.01 -0.55 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.39 1b97 s LEU 170 N -2.94 1.16 0.10 -1.99 0.20 -1.26 -1.08 118.68 112.86 1b97 s LEU 170 Ca 0.13 -0.25 -0.10 0.00 0.69 0.00 0.00 54.13 54.60 1b97 s LEU 170 Cb 0.06 -0.75 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 1b97 s LEU 170 CO -0.05 -0.11 0.23 -1.58 -0.29 0.00 0.00 176.35 174.55 1b97 s GLN 171 N 1.56 0.89 0.40 1.98 2.00 -0.54 -4.99 119.66 120.96 1b97 s GLN 171 Ca 0.01 -0.93 -0.25 0.00 -2.00 0.00 0.00 55.36 52.20 1b97 s GLN 171 Cb -0.13 0.36 -0.08 0.00 0.80 0.00 0.00 33.01 33.96 1b97 s GLN 171 CO -0.06 -0.30 1.14 -0.51 -0.50 0.00 0.00 175.29 175.07 1b97 s ASP 172 N -2.86 6.58 0.11 6.67 1.01 -1.26 -0.37 116.67 126.56 1b97 s ASP 172 Ca 0.05 2.27 -0.22 0.00 0.71 0.00 0.00 52.55 55.36 1b97 s ASP 172 Cb 0.04 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1b97 s ASP 172 CO -0.11 -0.63 1.74 0.50 0.21 0.00 0.00 175.17 176.88 1b97 h LYS 173 N 2.62 0.04 -0.79 8.23 3.64 -1.46 -2.85 116.57 126.00 1b97 h LYS 173 Ca -0.49 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1b97 h LYS 173 Cb 1.23 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1b97 h LYS 173 CO 0.62 0.03 0.52 0.11 -2.27 0.00 0.00 179.45 178.46 1b97 h TRP 174 N 0.04 0.82 -0.21 1.91 5.08 -1.93 -2.72 115.95 118.94 1b97 h TRP 174 Ca 0.04 0.02 -0.07 0.00 1.08 0.00 0.00 58.89 59.96 1b97 h TRP 174 Cb 0.04 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 25.91 1b97 h TRP 174 CO -0.11 0.41 -0.19 0.28 -1.28 0.00 0.00 178.44 177.54 1b97 h VAL 175 N 0.79 1.23 -0.37 0.12 2.07 -1.90 -3.03 116.25 115.17 1b97 h VAL 175 Ca 0.35 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1b97 h VAL 175 Cb 0.35 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1b97 h VAL 175 CO -0.13 0.34 0.00 2.30 0.02 0.00 0.00 177.57 180.09 1b97 n ILE 176 N -4.18 0.58 -2.29 4.57 -5.35 -1.05 -3.33 119.36 108.30 1b97 n ILE 176 Ca -0.00 -0.79 -0.38 0.00 -0.27 0.00 0.00 62.75 61.31 1b97 n ILE 176 Cb 0.34 0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 39.11 1b97 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b97 s ALA 177 N -1.28 3.16 0.00 -1.28 0.00 -1.06 -0.62 121.76 120.68 1b97 s ALA 177 Ca 0.34 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1b97 s ALA 177 Cb 0.19 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1b97 s ALA 177 CO 0.27 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1b97 n GLY 178 N 0.63 3.44 0.15 0.00 0.00 0.13 -4.29 105.19 105.25 1b97 n GLY 178 Ca 0.04 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1b97 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b97 n ASP 179 N -1.58 1.84 -4.37 1.61 5.75 -1.26 -4.75 116.55 113.79 1b97 n ASP 179 Ca 0.00 -1.64 -0.32 0.00 -0.01 0.00 0.00 54.79 52.82 1b97 n ASP 179 Cb 0.00 -0.04 -0.15 0.00 -1.03 0.00 0.00 41.12 39.91 1b97 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b97 s LEU 180 N -0.69 2.47 0.41 -2.12 1.43 -1.26 -4.56 118.68 114.34 1b97 s LEU 180 Ca 0.05 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1b97 s LEU 180 Cb 0.03 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.64 1b97 s LEU 180 CO 0.04 0.26 0.91 0.00 0.23 0.00 0.00 176.35 177.79 1b97 n ALA 181 N 2.85 -0.25 0.18 4.21 0.00 -1.26 -2.96 120.51 123.29 1b97 n ALA 181 Ca -0.17 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1b97 n ALA 181 Cb 0.52 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.99 1b97 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b97 n GLY 182 N 1.32 -1.45 3.35 0.00 0.00 0.10 -4.59 105.19 103.93 1b97 n GLY 182 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1b97 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b97 s SER 183 N -5.15 -0.33 0.00 1.61 1.04 -1.18 -4.88 113.70 104.80 1b97 s SER 183 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1b97 s SER 183 Cb 0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1b97 s SER 183 CO 0.78 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1b97 n GLY 184 N 0.33 -0.02 0.25 7.32 0.00 -1.26 -3.21 105.19 108.61 1b97 n GLY 184 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1b97 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b97 h ASN 185 N 0.00 0.00 -0.56 1.61 7.08 -2.00 -1.73 115.58 119.99 1b97 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b97 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b97 h ASN 185 CO 0.00 0.12 0.00 0.35 -2.08 0.00 0.00 177.43 175.82 1b97 n THR 186 N -3.91 2.16 -3.55 6.14 -2.24 -1.26 -5.00 114.28 106.62 1b97 n THR 186 Ca -0.02 -1.35 -0.21 0.00 -2.27 0.00 0.00 64.05 60.19 1b97 n THR 186 Cb 0.22 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1b97 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b97 n THR 187 N 0.70 -2.14 -4.13 4.28 -2.24 -0.65 -4.79 114.28 105.32 1b97 n THR 187 Ca 0.25 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.59 1b97 n THR 187 Cb 0.97 -1.89 -0.07 0.00 -2.10 0.00 0.00 70.33 67.24 1b97 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b97 s ASN 188 N -3.00 5.63 0.39 3.42 0.02 -1.20 -1.60 114.94 118.60 1b97 s ASN 188 Ca 0.08 0.15 -0.27 0.00 -1.02 0.00 0.00 52.86 51.81 1b97 s ASN 188 Cb -0.05 -1.62 -0.10 0.00 0.02 0.00 0.00 41.25 39.51 1b97 s ASN 188 CO 0.64 0.29 1.39 -0.63 0.02 0.00 0.00 177.10 178.82 1b97 s ILE 189 N -1.14 2.33 -0.07 0.60 1.01 0.13 0.02 121.20 124.08 1b97 s ILE 189 Ca 0.21 0.32 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 1b97 s ILE 189 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1b97 s ILE 189 CO 0.12 0.06 0.15 -0.83 0.00 0.00 0.00 174.94 174.44 1b97 s GLY 190 N -0.43 2.16 0.72 6.18 0.00 -1.16 -0.47 107.32 114.32 1b97 s GLY 190 Ca 0.54 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.50 1b97 s GLY 190 CO 0.56 -0.51 1.02 -1.35 0.00 0.00 0.00 173.10 172.82 1b97 s SER 191 N -1.44 4.60 0.87 1.64 1.04 -0.79 0.17 113.70 119.80 1b97 s SER 191 Ca 0.20 0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 1b97 s SER 191 Cb -0.12 -0.81 0.12 0.00 0.10 0.00 0.00 66.02 65.30 1b97 s SER 191 CO 0.11 -1.71 1.13 0.27 0.98 0.00 0.00 173.24 174.01 1b97 s ILE 192 N -3.24 2.48 -0.43 -1.02 -4.36 0.20 -4.09 121.20 110.74 1b97 s ILE 192 Ca 0.62 0.16 -0.08 0.00 -0.26 0.00 0.00 60.65 61.09 1b97 s ILE 192 Cb -0.09 -2.34 0.09 0.00 1.25 0.00 0.00 42.46 41.38 1b97 s ILE 192 CO 0.45 -0.20 0.27 -2.28 0.24 0.00 0.00 174.94 173.41 1b97 s HIS 193 N -2.73 3.38 0.32 1.37 5.65 -1.26 -4.53 115.29 117.48 1b97 s HIS 193 Ca 0.65 -1.72 -0.19 0.00 0.25 0.00 0.00 55.06 54.05 1b97 s HIS 193 Cb -0.21 -3.10 0.04 0.00 -1.18 0.00 0.00 32.58 28.13 1b97 s HIS 193 CO 0.57 -0.90 0.79 0.00 -0.65 0.00 0.00 174.74 174.55 1b97 s ALA 194 N 1.38 -1.04 0.80 1.58 0.00 -0.90 -4.89 121.76 118.67 1b97 s ALA 194 Ca 0.04 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1b97 s ALA 194 Cb -0.24 0.75 0.07 0.00 0.00 0.00 0.00 23.12 23.70 1b97 s ALA 194 CO 0.01 -1.02 1.10 -1.01 0.00 0.00 0.00 175.76 174.84 1b97 s HIS 195 N -3.02 2.45 0.29 0.00 3.76 -1.26 -1.14 115.29 116.36 1b97 s HIS 195 Ca 0.14 1.57 0.03 0.00 -0.15 0.00 0.00 55.06 56.65 1b97 s HIS 195 Cb -0.05 -3.09 0.67 0.00 1.11 0.00 0.00 32.58 31.22 1b97 s HIS 195 CO 0.09 -1.95 1.76 -0.92 -0.85 0.00 0.00 174.74 172.87 1b97 h TYR 196 N -1.24 0.93 -0.77 1.40 3.20 -1.93 -1.82 116.97 116.74 1b97 h TYR 196 Ca -0.44 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.50 1b97 h TYR 196 Cb 1.24 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1b97 h TYR 196 CO 0.56 0.19 0.51 1.57 -1.64 0.00 0.00 178.16 179.35 1b97 h LYS 197 N 0.68 0.93 -0.57 1.82 2.10 -2.00 -2.19 116.57 117.34 1b97 h LYS 197 Ca 0.54 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 59.12 1b97 h LYS 197 Cb 0.83 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 31.93 1b97 h LYS 197 CO -0.39 0.61 0.31 -0.44 -2.00 0.00 0.00 179.45 177.54 1b97 h ASP 198 N 0.95 0.69 -0.17 7.07 5.19 -1.69 0.46 116.42 128.92 1b97 h ASP 198 Ca 0.30 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.60 1b97 h ASP 198 Cb 0.03 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1b97 h ASP 198 CO -0.08 0.56 -0.15 -0.26 -3.12 0.00 0.00 179.24 176.18 1b97 h PHE 199 N 0.78 0.47 -0.26 4.55 -1.00 -1.46 0.17 116.94 120.20 1b97 h PHE 199 Ca 0.20 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1b97 h PHE 199 Cb 0.02 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1b97 h PHE 199 CO 0.00 0.76 0.17 0.28 -1.61 0.00 0.00 178.31 177.92 1b97 h VAL 200 N 0.05 1.07 0.00 -0.55 2.07 -1.15 -2.73 116.25 115.00 1b97 h VAL 200 Ca 0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1b97 h VAL 200 Cb 0.68 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1b97 h VAL 200 CO 0.04 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 1b97 n GLU 201 N -4.91 0.13 -2.80 1.57 1.02 0.12 -4.93 120.64 110.85 1b97 n GLU 201 Ca -0.02 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 1b97 n GLU 201 Cb 0.03 -1.68 0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1b97 n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b97 n GLY 202 N 0.96 0.21 3.39 0.62 0.00 -0.08 -4.96 105.19 105.32 1b97 n GLY 202 Ca 0.05 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1b97 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b97 n LYS 203 N -2.40 3.47 -0.29 1.61 4.76 -0.43 -4.94 118.16 119.95 1b97 n LYS 203 Ca -0.06 -4.08 0.00 0.00 -2.87 0.00 0.00 58.31 51.30 1b97 n LYS 203 Cb 0.55 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 1b97 n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b97 n GLY 204 N 3.45 1.19 0.00 0.72 0.00 -1.21 -4.90 105.19 104.44 1b97 n GLY 204 Ca 0.32 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1b97 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b97 n ILE 205 N -0.49 0.00 -2.93 -0.61 -5.35 -1.26 -5.03 119.36 103.69 1b97 n ILE 205 Ca 0.00 -0.13 -0.35 0.00 -0.27 0.00 0.00 62.75 62.00 1b97 n ILE 205 Cb 0.00 0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 38.46 1b97 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b97 s PHE 206 N -1.66 3.51 -0.58 4.28 0.08 -1.26 -4.97 117.98 117.38 1b97 s PHE 206 Ca 0.00 1.54 0.24 0.00 0.12 0.00 0.00 56.93 58.83 1b97 s PHE 206 Cb 0.00 -2.76 0.38 0.00 -0.57 0.00 0.00 43.02 40.06 1b97 s PHE 206 CO 0.00 0.12 1.38 -0.44 -0.10 0.00 0.00 175.22 176.19 1b97 h ASP 207 N 2.68 0.00 -4.93 1.36 3.32 -1.96 -3.48 116.42 113.42 1b97 h ASP 207 Ca -0.48 -0.13 0.10 0.00 0.02 0.00 0.00 57.03 56.54 1b97 h ASP 207 Cb 1.19 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 1b97 h ASP 207 CO 0.64 0.06 0.41 -0.94 -1.72 0.00 0.00 179.24 177.69 1b97 s SER 208 N -4.62 -0.35 0.27 6.45 1.04 -1.26 -5.01 113.70 110.23 1b97 s SER 208 Ca 0.06 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1b97 s SER 208 Cb 0.12 0.49 0.39 0.00 0.10 0.00 0.00 66.02 67.11 1b97 s SER 208 CO 0.70 -0.84 1.71 -0.08 0.98 0.00 0.00 173.24 175.72 1b97 h GLU 209 N 2.00 0.50 -0.30 4.02 4.81 -1.93 -1.57 114.58 122.11 1b97 h GLU 209 Ca -0.25 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1b97 h GLU 209 Cb 1.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1b97 h GLU 209 CO 0.30 0.72 0.11 0.22 -0.73 0.00 0.00 179.01 179.63 1b97 h ASP 210 N 0.44 0.14 -0.53 1.04 3.58 -1.99 -0.64 116.42 118.46 1b97 h ASP 210 Ca 0.06 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 1b97 h ASP 210 Cb 0.69 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1b97 h ASP 210 CO 0.05 0.11 0.19 -0.08 -2.88 0.00 0.00 179.24 176.64 1b97 h GLU 211 N 0.25 0.80 -0.30 0.28 4.81 -1.86 -1.34 114.58 117.22 1b97 h GLU 211 Ca 0.13 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1b97 h GLU 211 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1b97 h GLU 211 CO -0.12 0.72 0.15 0.35 -0.73 0.00 0.00 179.01 179.38 1b97 h PHE 212 N 0.72 0.28 -0.34 0.92 3.57 -1.05 -0.32 116.94 120.72 1b97 h PHE 212 Ca 0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1b97 h PHE 212 Cb 0.23 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1b97 h PHE 212 CO 0.01 0.16 0.06 -0.07 -2.23 0.00 0.00 178.31 176.24 1b97 h LEU 213 N 0.32 0.53 -0.61 0.59 3.38 -0.97 -2.44 115.31 116.11 1b97 h LEU 213 Ca 0.12 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1b97 h LEU 213 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1b97 h LEU 213 CO -0.08 0.65 0.24 -0.78 0.09 0.00 0.00 178.44 178.56 1b97 h ASP 214 N 0.39 0.84 0.17 -0.43 3.58 -1.15 0.54 116.42 120.37 1b97 h ASP 214 Ca 0.10 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.40 1b97 h ASP 214 Cb 0.34 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1b97 h ASP 214 CO 0.01 0.79 -0.35 0.22 -2.88 0.00 0.00 179.24 177.02 1b97 h TYR 215 N 0.85 -0.95 0.00 0.28 5.03 -0.97 -2.72 116.97 118.49 1b97 h TYR 215 Ca 0.20 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1b97 h TYR 215 Cb 0.21 0.40 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1b97 h TYR 215 CO 0.01 -0.46 0.00 -1.49 -1.32 0.00 0.00 178.16 174.90 1b97 h TRP 216 N -0.61 0.00 0.00 -3.82 4.06 -1.28 -2.59 115.95 111.72 1b97 h TRP 216 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1b97 h TRP 216 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1b97 h TRP 216 CO -0.29 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.59 1b97 h ARG 217 N 0.00 0.00 -0.05 0.49 3.08 -0.70 -3.30 114.38 113.91 1b97 h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b97 h ARG 217 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1b97 h ARG 217 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1b97 n ASN 218 N -3.02 1.88 -4.69 7.04 3.02 -1.04 -5.02 115.26 113.43 1b97 n ASN 218 Ca 0.03 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 1b97 n ASN 218 Cb 0.47 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1b97 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b97 s TYR 219 N -0.75 2.85 0.45 3.10 5.04 -0.99 -5.00 117.35 122.05 1b97 s TYR 219 Ca 0.04 0.75 -0.20 0.00 -2.44 0.00 0.00 57.07 55.22 1b97 s TYR 219 Cb 0.02 -3.72 -0.10 0.00 0.35 0.00 0.00 41.96 38.51 1b97 s TYR 219 CO 0.03 -2.69 0.96 -1.21 -1.34 0.00 0.00 175.55 171.30 1b97 s GLU 220 N 2.21 4.17 0.51 4.97 0.41 -1.26 -4.98 118.70 124.72 1b97 s GLU 220 Ca 0.66 1.09 0.30 0.00 -0.41 0.00 0.00 54.97 56.60 1b97 s GLU 220 Cb -0.34 -2.17 1.05 0.00 -1.78 0.00 0.00 34.13 30.89 1b97 s GLU 220 CO 0.28 -0.08 1.87 0.00 -0.49 0.00 0.00 175.26 176.84 1b97 h ARG 221 N 1.70 0.00 -5.35 1.61 3.08 -1.96 -3.44 114.38 110.01 1b97 h ARG 221 Ca -0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.10 1b97 h ARG 221 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 1b97 h ARG 221 CO 0.61 0.02 -0.66 0.95 -1.07 0.00 0.00 179.97 179.83 1b97 s THR 222 N -3.54 1.41 0.18 2.04 -4.23 -1.26 -5.02 115.64 105.23 1b97 s THR 222 Ca 0.03 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1b97 s THR 222 Cb 0.08 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.51 1b97 s THR 222 CO 0.59 -0.24 1.85 0.28 -0.54 0.00 0.00 174.62 176.55 1b97 h SER 223 N 2.28 0.68 -0.19 3.99 0.02 -1.98 -0.17 113.55 118.19 1b97 h SER 223 Ca -0.40 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 1b97 h SER 223 Cb 1.23 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 1b97 h SER 223 CO 0.67 0.50 -0.26 -0.61 -1.14 0.00 0.00 176.83 175.99 1b97 h GLN 224 N 0.80 -0.29 -0.15 3.45 4.15 -1.99 0.38 115.11 121.46 1b97 h GLN 224 Ca 0.22 0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.50 1b97 h GLN 224 Cb -0.09 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1b97 h GLN 224 CO -0.05 -0.19 -0.55 -0.07 -1.93 0.00 0.00 178.83 176.04 1b97 h LEU 225 N -0.30 0.51 -0.95 -2.39 3.38 -1.91 -3.24 115.31 110.42 1b97 h LEU 225 Ca 0.12 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1b97 h LEU 225 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1b97 h LEU 225 CO -0.36 0.96 -0.47 0.03 0.09 0.00 0.00 178.44 178.69 1b97 h ARG 226 N 0.35 0.00 0.00 1.13 3.08 -0.55 -3.11 114.38 115.28 1b97 h ARG 226 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1b97 h ARG 226 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1b97 h ARG 226 CO 0.10 0.47 0.00 0.09 -1.07 0.00 0.00 179.97 179.55 1b97 n ASN 227 N -3.74 0.55 -1.02 7.04 4.13 0.08 -1.17 115.26 121.13 1b97 n ASN 227 Ca -0.01 0.65 0.12 0.00 1.68 0.00 0.00 54.58 57.02 1b97 n ASN 227 Cb 0.53 -0.76 0.19 0.00 -1.54 0.00 0.00 39.78 38.19 1b97 n ASN 227 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1b97 n ASP 228 N -2.12 3.11 0.00 6.41 9.92 -1.17 -4.84 116.55 127.86 1b97 n ASP 228 Ca 0.02 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.31 1b97 n ASP 228 Cb 0.19 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1b97 n ASP 228 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1b97 n LYS 229 N 1.33 0.00 -3.58 -1.24 4.81 -0.41 -5.09 118.16 113.98 1b97 n LYS 229 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.46 1b97 n LYS 229 Cb 0.58 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.57 1b97 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b97 s TYR 230 N 0.00 -0.69 -0.08 5.64 -0.85 -0.32 -4.73 117.35 116.31 1b97 s TYR 230 Ca 0.00 1.49 0.02 0.00 -0.52 0.00 0.00 57.07 58.06 1b97 s TYR 230 Cb 0.00 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 1b97 s TYR 230 CO 0.00 -0.46 0.08 0.09 -1.52 0.00 0.00 175.55 173.74 1b97 n ASN 231 N 1.85 0.67 -3.22 -0.18 3.02 -1.26 -4.71 115.26 111.42 1b97 n ASN 231 Ca -0.16 -0.48 -0.11 0.00 -0.03 0.00 0.00 54.58 53.81 1b97 n ASN 231 Cb 0.56 1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 40.73 1b97 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b97 s ASN 232 N -1.33 0.29 0.21 6.41 2.20 -1.26 -4.76 114.94 116.70 1b97 s ASN 232 Ca 0.01 -1.20 -0.08 0.00 -0.94 0.00 0.00 52.86 50.65 1b97 s ASN 232 Cb 0.02 0.75 0.16 0.00 -2.00 0.00 0.00 41.25 40.18 1b97 s ASN 232 CO 0.08 -1.47 1.81 -0.29 -2.94 0.00 0.00 177.10 174.29 1b97 h ILE 233 N 2.06 1.25 -0.48 0.54 6.09 -1.98 -0.70 117.51 124.29 1b97 h ILE 233 Ca -0.29 -0.68 -0.04 0.00 -1.37 0.00 0.00 64.86 62.47 1b97 h ILE 233 Cb 1.25 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1b97 h ILE 233 CO 0.38 0.29 0.14 0.28 -3.07 0.00 0.00 178.15 176.17 1b97 h SER 234 N 1.13 0.72 0.05 2.19 0.02 -1.99 -1.61 113.55 114.04 1b97 h SER 234 Ca 0.28 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1b97 h SER 234 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1b97 h SER 234 CO -0.04 0.75 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.82 1b97 h GLU 235 N 0.65 0.34 -0.45 3.45 5.08 -1.87 -1.46 114.58 120.31 1b97 h GLU 235 Ca 0.15 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1b97 h GLU 235 Cb 0.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1b97 h GLU 235 CO -0.00 0.57 0.08 -0.92 -1.00 0.00 0.00 179.01 177.73 1b97 h TYR 236 N 0.30 0.79 -0.21 4.33 3.20 -0.81 0.83 116.97 125.41 1b97 h TYR 236 Ca 0.05 -0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 1b97 h TYR 236 Cb 0.61 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1b97 h TYR 236 CO 0.01 0.75 -0.21 0.00 -1.64 0.00 0.00 178.16 177.07 1b97 h ARG 237 N 0.61 0.37 -0.50 1.82 3.08 -0.88 0.21 114.38 119.10 1b97 h ARG 237 Ca 0.14 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1b97 h ARG 237 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1b97 h ARG 237 CO 0.01 0.56 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.33 1b97 h ASN 238 N 0.33 1.01 -0.94 7.04 -0.73 -1.05 -2.07 115.58 119.17 1b97 h ASN 238 Ca 0.06 -0.38 0.07 0.00 1.87 0.00 0.00 56.30 57.92 1b97 h ASN 238 Cb 0.56 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.81 1b97 h ASN 238 CO 0.04 1.16 0.61 -0.25 -0.37 0.00 0.00 177.43 178.61 1b97 h TRP 239 N 0.85 1.09 -0.19 0.67 7.01 0.04 -0.43 115.95 125.00 1b97 h TRP 239 Ca 0.12 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1b97 h TRP 239 Cb 0.74 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1b97 h TRP 239 CO 0.05 0.56 0.05 0.82 -2.79 0.00 0.00 178.44 177.12 1b97 h ILE 240 N 1.06 1.21 -0.87 2.65 1.08 -0.72 -0.95 117.51 120.96 1b97 h ILE 240 Ca 0.41 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 64.27 1b97 h ILE 240 Cb 0.22 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 1b97 h ILE 240 CO -0.16 0.20 0.55 0.22 -0.69 0.00 0.00 178.15 178.28 1b97 h TYR 241 N 0.12 1.03 0.00 1.37 3.20 -0.51 -1.28 116.97 120.89 1b97 h TYR 241 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1b97 h TYR 241 Cb 0.27 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1b97 h TYR 241 CO 0.01 0.55 0.00 0.00 -1.64 0.00 0.00 178.16 177.08 1b97 h ARG 242 N 1.03 0.00 0.00 1.82 3.08 -1.04 -3.45 114.38 115.82 1b97 h ARG 242 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1b97 h ARG 242 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1b97 h ARG 242 CO -0.15 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.16 1b97 n GLY 243 N -0.54 1.92 3.29 0.04 0.00 -0.48 -4.56 105.19 104.86 1b97 n GLY 243 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1b97 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b97 n ARG 244 N -0.62 -5.87 0.00 1.61 1.74 -0.37 -5.03 116.66 108.11 1b97 n ARG 244 Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1b97 n ARG 244 Cb 0.00 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 25.75 1b97 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47