#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs9 s PRO 3 N -2.27 2.10 0.23 0.00 0.04 -1.26 -4.98 135.00 128.86 1bs9 s PRO 3 Ca 0.57 0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.94 1bs9 s PRO 3 Cb -0.33 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.46 1bs9 s PRO 3 CO 0.42 -1.53 1.53 0.00 0.04 0.00 0.00 177.00 177.46 1bs9 h ALA 4 N -1.01 0.81 -3.73 8.56 0.00 -1.94 -3.42 119.26 118.52 1bs9 h ALA 4 Ca -0.46 -0.62 -0.37 0.00 0.00 0.00 0.00 54.91 53.45 1bs9 h ALA 4 Cb 1.31 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 1bs9 h ALA 4 CO 0.65 0.84 -0.77 0.42 0.00 0.00 0.00 179.25 180.39 1bs9 s ILE 5 N -3.48 0.50 -0.01 0.00 1.01 -1.26 -1.51 121.20 116.45 1bs9 s ILE 5 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1bs9 s ILE 5 Cb 0.12 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1bs9 s ILE 5 CO 0.79 0.17 -0.08 -2.28 0.00 0.00 0.00 174.94 173.54 1bs9 s HIS 6 N 0.33 0.77 -0.06 3.97 2.46 -0.42 -2.68 115.29 119.67 1bs9 s HIS 6 Ca -0.04 -0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.38 1bs9 s HIS 6 Cb -0.08 -0.51 -0.02 0.00 -0.13 0.00 0.00 32.58 31.84 1bs9 s HIS 6 CO -0.00 -0.02 -0.16 0.08 -2.47 0.00 0.00 174.74 172.16 1bs9 s VAL 7 N -0.14 2.87 -0.13 0.89 1.01 -0.07 -1.62 120.40 123.21 1bs9 s VAL 7 Ca 0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1bs9 s VAL 7 Cb -0.04 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1bs9 s VAL 7 CO -0.00 0.58 -0.12 -0.36 0.00 0.00 0.00 175.10 175.19 1bs9 s PHE 8 N -0.49 2.83 -0.01 5.22 0.40 -0.07 -1.00 117.98 124.86 1bs9 s PHE 8 Ca 0.06 -0.59 0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1bs9 s PHE 8 Cb -0.12 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 1bs9 s PHE 8 CO 0.02 -0.18 -0.24 0.20 0.70 0.00 0.00 175.22 175.71 1bs9 s GLY 9 N 0.31 1.21 -0.09 4.36 0.00 -0.61 -0.77 107.32 111.73 1bs9 s GLY 9 Ca -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1bs9 s GLY 9 CO 0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 173.10 172.08 1bs9 s ALA 10 N -0.61 1.67 0.70 3.20 0.00 -0.30 -0.59 121.76 125.83 1bs9 s ALA 10 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1bs9 s ALA 10 Cb -0.09 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.33 1bs9 s ALA 10 CO -0.00 0.07 1.04 -0.98 0.00 0.00 0.00 175.76 175.88 1bs9 s ARG 11 N 0.73 2.43 0.70 0.00 1.70 -1.24 -1.90 118.95 121.36 1bs9 s ARG 11 Ca -0.12 0.00 -0.07 0.00 -0.47 0.00 0.00 55.73 55.07 1bs9 s ARG 11 Cb -0.16 -2.12 0.05 0.00 -0.57 0.00 0.00 34.95 32.15 1bs9 s ARG 11 CO 0.03 -1.16 1.01 -1.83 -1.08 0.00 0.00 175.30 172.27 1bs9 s GLU 12 N -5.28 2.30 0.23 3.89 1.03 -1.20 -2.88 118.70 116.79 1bs9 s GLU 12 Ca 0.59 -0.17 -0.32 0.00 0.03 0.00 0.00 54.97 55.10 1bs9 s GLU 12 Cb -0.11 -2.16 -0.12 0.00 -0.80 0.00 0.00 34.13 30.94 1bs9 s GLU 12 CO 0.47 -1.19 1.65 2.41 -1.33 0.00 0.00 175.26 177.27 1bs9 n THR 13 N -2.91 0.35 -0.56 1.83 -1.04 -1.26 -2.12 114.28 108.58 1bs9 n THR 13 Ca 0.07 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1bs9 n THR 13 Cb 0.60 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1bs9 n THR 13 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1bs9 n THR 14 N 3.25 0.00 -1.82 12.58 -2.24 0.41 -4.96 114.28 121.49 1bs9 n THR 14 Ca 0.14 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.54 1bs9 n THR 14 Cb 0.34 -0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1bs9 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bs9 s ALA 15 N -2.55 2.60 0.63 6.98 0.00 -0.90 -4.96 121.76 123.57 1bs9 s ALA 15 Ca 0.00 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1bs9 s ALA 15 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1bs9 s ALA 15 CO 0.00 -1.40 1.20 -1.12 0.00 0.00 0.00 175.76 174.44 1bs9 s SER 16 N -1.24 4.92 0.21 0.00 0.01 -1.26 -4.88 113.70 111.45 1bs9 s SER 16 Ca 0.77 2.35 -0.31 0.00 1.31 0.00 0.00 55.95 60.06 1bs9 s SER 16 Cb -0.37 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.12 1bs9 s SER 16 CO 0.42 -1.78 1.18 -2.65 0.41 0.00 0.00 173.24 170.82 1bs9 n PRO 17 N -1.96 1.37 0.00 12.44 -0.02 -1.26 -4.53 135.00 141.05 1bs9 n PRO 17 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1bs9 n PRO 17 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1bs9 n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bs9 n GLY 18 N 1.87 0.52 0.10 -1.23 0.00 -1.26 -4.89 105.19 100.30 1bs9 n GLY 18 Ca 0.13 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.53 1bs9 n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bs9 n TYR 19 N 4.63 0.92 -3.89 1.61 4.01 -1.26 -4.25 117.16 118.93 1bs9 n TYR 19 Ca 0.00 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1bs9 n TYR 19 Cb 0.00 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 1bs9 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bs9 n GLY 20 N 1.30 2.24 0.00 2.72 0.00 -1.26 -1.67 105.19 108.51 1bs9 n GLY 20 Ca -0.05 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1bs9 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bs9 n SER 21 N -0.50 0.00 0.08 1.61 7.64 -1.26 -1.59 113.62 119.59 1bs9 n SER 21 Ca 0.00 -0.46 0.10 0.00 1.01 0.00 0.00 58.87 59.53 1bs9 n SER 21 Cb 0.00 -0.12 0.43 0.00 -1.01 0.00 0.00 64.21 63.50 1bs9 n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bs9 n SER 22 N -1.12 0.41 -0.05 6.43 3.41 -0.67 -3.80 113.62 118.22 1bs9 n SER 22 Ca 0.15 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 1bs9 n SER 22 Cb 0.13 -0.68 0.45 0.00 -0.26 0.00 0.00 64.21 63.85 1bs9 n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1bs9 h SER 23 N 0.00 0.44 -0.12 4.04 4.64 -1.41 -1.95 113.55 119.19 1bs9 h SER 23 Ca 0.00 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1bs9 h SER 23 Cb 0.35 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1bs9 h SER 23 CO 0.00 0.29 -0.11 0.74 -0.87 0.00 0.00 176.83 176.89 1bs9 h THR 24 N 0.51 0.69 0.08 2.95 2.02 -1.83 0.25 112.91 117.57 1bs9 h THR 24 Ca 0.22 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.14 1bs9 h THR 24 Cb 0.23 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1bs9 h THR 24 CO -0.06 0.00 -1.24 -0.37 0.37 0.00 0.00 175.52 174.22 1bs9 h VAL 25 N -0.13 1.47 -0.32 3.16 -1.51 -1.76 -2.23 116.25 114.92 1bs9 h VAL 25 Ca 0.08 -3.12 0.04 0.00 -1.23 0.00 0.00 66.70 62.47 1bs9 h VAL 25 Cb 0.25 2.85 -0.04 0.00 -2.13 0.00 0.00 31.29 32.22 1bs9 h VAL 25 CO -0.20 0.88 0.09 0.58 -1.23 0.00 0.00 177.57 177.69 1bs9 h VAL 26 N 0.04 0.88 0.00 7.19 2.07 -1.20 -1.68 116.25 123.55 1bs9 h VAL 26 Ca -0.12 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1bs9 h VAL 26 Cb 1.91 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1bs9 h VAL 26 CO 0.16 0.04 -0.34 0.78 0.02 0.00 0.00 177.57 178.23 1bs9 h ASN 27 N 0.22 0.00 -0.47 0.57 2.35 -0.97 -1.22 115.58 116.06 1bs9 h ASN 27 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1bs9 h ASN 27 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1bs9 h ASN 27 CO -0.17 0.34 0.06 1.23 -1.65 0.00 0.00 177.43 177.24 1bs9 h GLY 28 N 1.21 0.86 0.84 2.83 0.00 -0.75 -1.31 103.07 106.75 1bs9 h GLY 28 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1bs9 h GLY 28 CO 0.04 0.54 0.01 -2.08 0.00 0.00 0.00 176.54 175.05 1bs9 h VAL 29 N 0.66 1.25 -0.79 4.60 2.07 -0.95 -2.01 116.25 121.09 1bs9 h VAL 29 Ca 0.14 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1bs9 h VAL 29 Cb 0.41 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1bs9 h VAL 29 CO 0.01 0.27 0.52 -0.07 0.02 0.00 0.00 177.57 178.32 1bs9 h LEU 30 N 0.16 0.82 -0.25 2.57 3.38 -1.09 -1.53 115.31 119.37 1bs9 h LEU 30 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bs9 h LEU 30 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bs9 h LEU 30 CO 0.01 0.56 0.00 0.28 0.09 0.00 0.00 178.44 179.38 1bs9 h SER 31 N 0.95 0.00 1.61 -0.43 0.02 -1.13 -3.16 113.55 111.41 1bs9 h SER 31 Ca 0.32 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1bs9 h SER 31 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1bs9 h SER 31 CO -0.10 0.00 -0.39 0.00 -1.14 0.00 0.00 176.83 175.20 1bs9 h ALA 32 N 2.05 0.78 -2.68 3.77 0.00 -0.56 -3.39 119.26 119.22 1bs9 h ALA 32 Ca 0.00 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 1bs9 h ALA 32 Cb 0.89 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.25 1bs9 h ALA 32 CO 0.00 0.41 -0.80 0.71 0.00 0.00 0.00 179.25 179.57 1bs9 s TYR 33 N -3.06 2.20 0.31 0.00 2.02 -0.66 -5.10 117.35 113.07 1bs9 s TYR 33 Ca 0.05 -2.78 -0.29 0.00 -0.37 0.00 0.00 57.07 53.68 1bs9 s TYR 33 Cb 0.07 -1.71 -0.13 0.00 -0.40 0.00 0.00 41.96 39.79 1bs9 s TYR 33 CO 0.72 -0.70 1.26 -2.30 -1.57 0.00 0.00 175.55 172.96 1bs9 n PRO 34 N 2.44 1.96 0.00 -1.71 -0.02 -1.24 -1.41 135.00 135.02 1bs9 n PRO 34 Ca 0.25 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1bs9 n PRO 34 Cb 0.42 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1bs9 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bs9 n GLY 35 N 1.12 3.38 3.76 -1.23 0.00 -1.26 -5.05 105.19 105.91 1bs9 n GLY 35 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1bs9 n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bs9 s SER 36 N -1.01 4.69 0.20 1.61 1.04 -0.50 -4.74 113.70 115.00 1bs9 s SER 36 Ca 0.00 1.95 0.04 0.00 0.48 0.00 0.00 55.95 58.42 1bs9 s SER 36 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1bs9 s SER 36 CO 0.00 -1.91 -0.05 0.42 0.98 0.00 0.00 173.24 172.68 1bs9 s THR 37 N -2.58 1.14 0.03 2.02 -4.23 -1.09 -4.98 115.64 105.96 1bs9 s THR 37 Ca 0.65 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1bs9 s THR 37 Cb -0.20 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1bs9 s THR 37 CO 0.49 -0.48 -0.01 0.00 -0.54 0.00 0.00 174.62 174.07 1bs9 s ALA 38 N -3.35 0.18 0.02 3.99 0.00 -1.26 -0.89 121.76 120.46 1bs9 s ALA 38 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1bs9 s ALA 38 Cb 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1bs9 s ALA 38 CO 0.06 -0.23 -0.03 -1.83 0.00 0.00 0.00 175.76 173.73 1bs9 s GLU 39 N -2.15 0.30 0.08 0.00 -1.05 -0.17 -4.93 118.70 110.76 1bs9 s GLU 39 Ca -0.09 -0.57 -0.15 0.00 -0.15 0.00 0.00 54.97 54.01 1bs9 s GLU 39 Cb -0.05 0.08 -0.06 0.00 -0.44 0.00 0.00 34.13 33.66 1bs9 s GLU 39 CO -0.03 -0.04 0.49 0.00 0.95 0.00 0.00 175.26 176.62 1bs9 s ALA 40 N -1.35 3.64 0.09 -0.84 0.00 -1.26 -1.57 121.76 120.46 1bs9 s ALA 40 Ca -0.15 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 1bs9 s ALA 40 Cb -0.09 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1bs9 s ALA 40 CO -0.01 0.47 1.32 0.42 0.00 0.00 0.00 175.76 177.96 1bs9 s ILE 41 N -1.27 3.61 -0.52 0.00 -1.09 0.24 -4.89 121.20 117.28 1bs9 s ILE 41 Ca 0.31 1.15 -0.21 0.00 -2.23 0.00 0.00 60.65 59.67 1bs9 s ILE 41 Cb -0.16 -3.74 0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1bs9 s ILE 41 CO 0.17 0.08 0.74 0.20 -1.23 0.00 0.00 174.94 174.91 1bs9 s ASN 42 N 1.13 6.27 0.22 3.58 0.02 -1.26 -4.81 114.94 120.09 1bs9 s ASN 42 Ca 0.62 -0.69 -0.19 0.00 -1.02 0.00 0.00 52.86 51.58 1bs9 s ASN 42 Cb -0.34 -2.35 0.03 0.00 0.02 0.00 0.00 41.25 38.62 1bs9 s ASN 42 CO 0.30 -1.02 0.59 -0.72 0.02 0.00 0.00 177.10 176.27 1bs9 s TYR 43 N 3.13 -0.14 0.34 2.20 1.13 -1.26 -4.81 117.35 117.93 1bs9 s TYR 43 Ca 0.21 -0.22 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 1bs9 s TYR 43 Cb -0.17 0.49 0.62 0.00 -1.10 0.00 0.00 41.96 41.80 1bs9 s TYR 43 CO 0.15 -1.02 1.93 -1.35 -2.51 0.00 0.00 175.55 172.75 1bs9 h PRO 44 N 2.11 0.67 -6.61 -3.49 0.11 -1.91 -3.47 132.00 119.41 1bs9 h PRO 44 Ca -0.26 -0.09 -0.52 0.00 0.11 0.00 0.00 66.00 65.23 1bs9 h PRO 44 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bs9 h PRO 44 CO 0.33 0.56 -0.96 0.00 -0.21 0.00 0.00 178.00 177.71 1bs9 n ALA 45 N -2.46 -2.43 -2.21 -0.75 0.00 -1.26 -4.82 120.51 106.56 1bs9 n ALA 45 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 1bs9 n ALA 45 Cb 0.16 -2.84 -0.10 0.00 0.00 0.00 0.00 19.45 16.67 1bs9 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bs9 n GLY 47 N -0.17 1.56 0.13 0.00 0.00 -1.21 -3.81 105.19 101.70 1bs9 n GLY 47 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1bs9 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs9 n GLY 48 N -0.01 0.22 3.76 -0.02 0.00 0.79 -4.50 105.19 105.43 1bs9 n GLY 48 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1bs9 n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bs9 s GLN 49 N -0.96 4.50 0.45 1.61 1.11 -1.26 -4.61 119.66 120.51 1bs9 s GLN 49 Ca 0.00 1.78 0.22 0.00 0.01 0.00 0.00 55.36 57.36 1bs9 s GLN 49 Cb 0.00 -3.03 1.09 0.00 -1.01 0.00 0.00 33.01 30.05 1bs9 s GLN 49 CO 0.00 0.09 1.94 0.66 0.01 0.00 0.00 175.29 177.99 1bs9 h SER 50 N 3.48 0.00 -0.36 5.90 4.64 -1.93 -1.01 113.55 124.28 1bs9 h SER 50 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1bs9 h SER 50 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1bs9 h SER 50 CO 0.66 0.23 0.24 0.77 -0.87 0.00 0.00 176.83 177.85 1bs9 h SER 51 N 0.00 0.38 -0.43 4.97 4.64 -2.00 -2.01 113.55 119.11 1bs9 h SER 51 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1bs9 h SER 51 Cb 0.53 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bs9 h SER 51 CO 0.03 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1bs9 n GLY 53 N 0.16 0.47 2.78 0.00 0.00 -0.75 -4.52 105.19 103.33 1bs9 n GLY 53 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1bs9 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs9 n GLY 54 N -2.00 1.41 3.75 -0.02 0.00 -0.41 -4.97 105.19 102.96 1bs9 n GLY 54 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bs9 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs9 s ALA 55 N -3.63 3.61 0.93 4.61 0.00 -1.26 -4.34 121.76 121.68 1bs9 s ALA 55 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1bs9 s ALA 55 Cb 0.00 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.72 1bs9 s ALA 55 CO 0.00 -0.75 1.10 -1.54 0.00 0.00 0.00 175.76 174.57 1bs9 s SER 56 N 0.20 2.95 0.30 0.00 1.04 -1.26 -0.15 113.70 116.78 1bs9 s SER 56 Ca 0.57 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.88 1bs9 s SER 56 Cb -0.42 -2.44 0.53 0.00 0.10 0.00 0.00 66.02 63.79 1bs9 s SER 56 CO 0.46 -3.02 1.90 0.22 0.98 0.00 0.00 173.24 173.77 1bs9 h TYR 57 N -1.81 1.07 -0.44 5.02 3.20 -1.79 0.11 116.97 122.33 1bs9 h TYR 57 Ca -0.48 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 1bs9 h TYR 57 Cb 1.28 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1bs9 h TYR 57 CO 0.46 0.54 -0.03 1.03 -1.64 0.00 0.00 178.16 178.52 1bs9 h SER 58 N 1.03 0.78 -0.52 -2.11 0.87 -1.88 -0.46 113.55 111.26 1bs9 h SER 58 Ca 0.41 -0.32 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1bs9 h SER 58 Cb 0.25 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1bs9 h SER 58 CO -0.16 0.92 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.69 1bs9 h SER 59 N 0.63 0.99 -0.18 6.23 0.87 -1.73 -1.83 113.55 118.52 1bs9 h SER 59 Ca 0.12 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1bs9 h SER 59 Cb 0.53 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1bs9 h SER 59 CO 0.03 1.09 0.11 -1.28 -0.53 0.00 0.00 176.83 176.24 1bs9 h SER 60 N 0.90 0.22 -0.15 6.23 0.87 -0.60 -0.87 113.55 120.15 1bs9 h SER 60 Ca 0.15 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1bs9 h SER 60 Cb 0.63 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1bs9 h SER 60 CO 0.04 0.20 0.08 0.58 -0.53 0.00 0.00 176.83 177.21 1bs9 h VAL 61 N 0.21 1.02 -0.35 2.23 2.07 -1.04 0.11 116.25 120.50 1bs9 h VAL 61 Ca 0.06 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bs9 h VAL 61 Cb 0.02 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1bs9 h VAL 61 CO -0.01 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.82 1bs9 h ALA 62 N 1.07 0.44 -0.79 1.67 0.00 -1.19 -0.63 119.26 119.82 1bs9 h ALA 62 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bs9 h ALA 62 Cb -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1bs9 h ALA 62 CO -0.03 -0.06 0.51 1.96 0.00 0.00 0.00 179.25 181.63 1bs9 h GLN 63 N 0.46 1.04 -0.47 0.00 4.20 -0.97 -2.86 115.11 116.50 1bs9 h GLN 63 Ca 0.13 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1bs9 h GLN 63 Cb -0.00 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1bs9 h GLN 63 CO -0.02 0.70 -0.21 0.78 -0.67 0.00 0.00 178.83 179.41 1bs9 h GLY 64 N 1.08 1.06 0.97 3.46 0.00 -0.11 -0.07 103.07 109.46 1bs9 h GLY 64 Ca 0.29 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1bs9 h GLY 64 CO -0.06 0.86 0.25 -2.22 0.00 0.00 0.00 176.54 175.37 1bs9 h ILE 65 N 0.83 1.08 -0.63 2.60 2.04 -1.02 -0.55 117.51 121.87 1bs9 h ILE 65 Ca 0.11 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1bs9 h ILE 65 Cb 0.79 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1bs9 h ILE 65 CO 0.07 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.46 1bs9 h ALA 66 N 1.15 1.06 -0.63 1.87 0.00 -1.32 -1.64 119.26 119.75 1bs9 h ALA 66 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bs9 h ALA 66 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1bs9 h ALA 66 CO -0.04 0.62 0.11 0.00 0.00 0.00 0.00 179.25 179.93 1bs9 h ALA 67 N 1.20 0.84 0.06 0.00 0.00 -0.50 0.22 119.26 121.08 1bs9 h ALA 67 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bs9 h ALA 67 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bs9 h ALA 67 CO 0.00 0.59 -0.03 0.28 0.00 0.00 0.00 179.25 180.10 1bs9 h VAL 68 N 0.96 1.06 -0.31 0.00 2.07 -0.89 -0.88 116.25 118.25 1bs9 h VAL 68 Ca 0.19 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1bs9 h VAL 68 Cb 0.42 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1bs9 h VAL 68 CO 0.01 0.09 0.20 0.00 0.02 0.00 0.00 177.57 177.89 1bs9 h ALA 69 N 0.70 0.40 -0.34 1.67 0.00 -1.20 -0.57 119.26 119.93 1bs9 h ALA 69 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bs9 h ALA 69 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bs9 h ALA 69 CO 0.01 -0.13 0.22 0.77 0.00 0.00 0.00 179.25 180.12 1bs9 h SER 70 N 0.42 0.38 -0.14 0.00 0.02 -0.85 -0.14 113.55 113.24 1bs9 h SER 70 Ca 0.11 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1bs9 h SER 70 Cb -0.03 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1bs9 h SER 70 CO -0.02 0.28 -0.02 0.00 -1.14 0.00 0.00 176.83 175.93 1bs9 h ALA 71 N 1.12 0.19 -0.17 3.77 0.00 -0.96 -1.63 119.26 121.58 1bs9 h ALA 71 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1bs9 h ALA 71 Cb -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bs9 h ALA 71 CO -0.03 -0.08 -0.39 0.28 0.00 0.00 0.00 179.25 179.03 1bs9 h VAL 72 N -0.02 1.34 -0.65 0.00 2.07 -1.07 -1.72 116.25 116.20 1bs9 h VAL 72 Ca 0.04 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 1bs9 h VAL 72 Cb 0.41 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1bs9 h VAL 72 CO 0.01 0.50 0.11 0.78 0.02 0.00 0.00 177.57 179.00 1bs9 h ASN 73 N 0.22 1.03 -0.43 0.57 2.35 -1.05 -0.66 115.58 117.61 1bs9 h ASN 73 Ca 0.00 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 1bs9 h ASN 73 Cb 0.99 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1bs9 h ASN 73 CO 0.09 1.02 -0.13 0.77 -1.65 0.00 0.00 177.43 177.53 1bs9 h SER 74 N 0.99 0.85 -0.46 5.81 4.64 -1.31 -1.97 113.55 122.10 1bs9 h SER 74 Ca 0.20 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1bs9 h SER 74 Cb 0.43 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1bs9 h SER 74 CO 0.01 1.03 0.27 0.15 -0.87 0.00 0.00 176.83 177.43 1bs9 h PHE 75 N 0.67 0.61 -0.49 4.77 3.57 -1.10 -1.54 116.94 123.42 1bs9 h PHE 75 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1bs9 h PHE 75 Cb 0.68 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1bs9 h PHE 75 CO 0.05 0.43 0.21 -0.97 -2.23 0.00 0.00 178.31 175.80 1bs9 h ASN 76 N 0.61 0.63 -0.36 0.41 -0.73 -1.02 0.58 115.58 115.69 1bs9 h ASN 76 Ca 0.16 -0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 1bs9 h ASN 76 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1bs9 h ASN 76 CO -0.03 0.56 -0.11 0.77 -0.37 0.00 0.00 177.43 178.25 1bs9 h SER 77 N 0.69 0.79 -0.24 1.15 4.64 -0.87 -2.38 113.55 117.33 1bs9 h SER 77 Ca 0.17 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1bs9 h SER 77 Cb 0.12 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1bs9 h SER 77 CO -0.02 0.93 -0.29 1.56 -0.87 0.00 0.00 176.83 178.14 1bs9 h GLN 78 N 0.72 0.74 -2.11 4.77 4.20 -0.61 -3.39 115.11 119.43 1bs9 h GLN 78 Ca 0.12 -0.33 -0.58 0.00 0.06 0.00 0.00 58.65 57.92 1bs9 h GLN 78 Cb 0.60 -0.02 -0.40 0.00 0.30 0.00 0.00 27.48 27.96 1bs9 h GLN 78 CO 0.04 0.94 -0.92 0.00 -0.67 0.00 0.00 178.83 178.22 1bs9 h PRO 80 N 4.18 0.00 -0.47 0.00 0.13 -1.64 -2.65 132.00 131.56 1bs9 h PRO 80 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bs9 h PRO 80 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bs9 h PRO 80 CO 0.59 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.23 1bs9 n SER 81 N -2.48 3.26 -4.72 1.44 3.41 -1.26 -4.96 113.62 108.31 1bs9 n SER 81 Ca 0.01 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.24 1bs9 n SER 81 Cb 0.20 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1bs9 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bs9 s THR 82 N -1.02 4.93 0.21 6.66 2.01 -1.00 -4.99 115.64 122.45 1bs9 s THR 82 Ca 0.32 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 1bs9 s THR 82 Cb 0.17 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 1bs9 s THR 82 CO 0.22 0.27 1.09 -0.54 -0.69 0.00 0.00 174.62 174.97 1bs9 s LYS 83 N 0.60 4.62 -0.05 4.92 1.02 -0.57 -4.88 119.74 125.41 1bs9 s LYS 83 Ca 0.40 1.72 0.04 0.00 0.02 0.00 0.00 55.97 58.15 1bs9 s LYS 83 Cb -0.19 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1bs9 s LYS 83 CO 0.21 0.14 -0.15 0.42 -0.92 0.00 0.00 175.35 175.06 1bs9 s ILE 84 N -0.54 3.04 -0.06 2.17 1.01 0.23 -1.30 121.20 125.75 1bs9 s ILE 84 Ca 0.47 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1bs9 s ILE 84 Cb -0.30 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1bs9 s ILE 84 CO 0.36 0.59 -0.24 -0.69 0.00 0.00 0.00 174.94 174.96 1bs9 s VAL 85 N -0.70 2.02 -0.09 2.92 1.01 -0.64 -0.74 120.40 124.18 1bs9 s VAL 85 Ca 0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1bs9 s VAL 85 Cb -0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1bs9 s VAL 85 CO 0.01 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 174.86 1bs9 s LEU 86 N -0.06 3.27 -0.06 3.92 1.43 -0.53 -0.89 118.68 125.77 1bs9 s LEU 86 Ca -0.07 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1bs9 s LEU 86 Cb -0.14 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1bs9 s LEU 86 CO 0.05 0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 176.24 1bs9 s VAL 87 N -0.57 0.43 -0.00 -1.59 1.01 0.05 -0.79 120.40 118.94 1bs9 s VAL 87 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1bs9 s VAL 87 Cb -0.12 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1bs9 s VAL 87 CO 0.02 0.24 -0.00 -0.83 0.00 0.00 0.00 175.10 174.53 1bs9 s GLY 88 N 1.49 0.06 -0.20 4.51 0.00 -0.11 -1.14 107.32 111.92 1bs9 s GLY 88 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 1bs9 s GLY 88 CO -0.03 0.11 -0.07 -0.47 0.00 0.00 0.00 173.10 172.64 1bs9 s TYR 89 N 0.19 2.93 0.00 1.90 6.14 -0.80 -1.70 117.35 126.01 1bs9 s TYR 89 Ca -0.02 -0.92 0.00 0.00 0.64 0.00 0.00 57.07 56.77 1bs9 s TYR 89 Cb -0.03 -2.04 0.00 0.00 0.42 0.00 0.00 41.96 40.31 1bs9 s TYR 89 CO -0.01 -0.50 0.00 0.45 0.64 0.00 0.00 175.55 176.14 1bs9 n SER 90 N 4.54 0.00 -0.20 4.32 2.88 0.60 -1.08 113.62 124.68 1bs9 n SER 90 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1bs9 n SER 90 Cb 0.51 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.43 1bs9 n SER 90 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1bs9 h GLN 91 N 0.00 0.50 -0.29 -1.46 4.15 -1.84 0.25 115.11 116.42 1bs9 h GLN 91 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1bs9 h GLN 91 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1bs9 h GLN 91 CO 0.00 0.33 -0.02 0.78 -1.93 0.00 0.00 178.83 177.99 1bs9 h GLY 92 N 0.51 0.47 0.92 2.39 0.00 -0.96 -1.72 103.07 104.68 1bs9 h GLY 92 Ca 0.40 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1bs9 h GLY 92 CO -0.15 0.26 -0.02 -1.33 0.00 0.00 0.00 176.54 175.30 1bs9 h GLY 93 N 0.78 0.69 0.65 4.60 0.00 -1.03 -3.06 103.07 105.70 1bs9 h GLY 93 Ca 0.09 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1bs9 h GLY 93 CO 0.01 0.48 0.22 -2.09 0.00 0.00 0.00 176.54 175.16 1bs9 h GLU 94 N 0.44 0.42 -0.27 4.80 4.81 -0.72 -0.02 114.58 124.04 1bs9 h GLU 94 Ca 0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1bs9 h GLU 94 Cb 0.49 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1bs9 h GLU 94 CO 0.02 0.28 -0.23 -0.84 -0.73 0.00 0.00 179.01 177.51 1bs9 h ILE 95 N 0.43 1.26 -0.39 2.32 3.07 -1.39 -1.90 117.51 120.91 1bs9 h ILE 95 Ca 0.23 -1.24 -0.14 0.00 1.55 0.00 0.00 64.86 65.26 1bs9 h ILE 95 Cb 0.18 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 1bs9 h ILE 95 CO -0.19 0.40 -0.31 0.24 -1.05 0.00 0.00 178.15 177.24 1bs9 h MET 96 N 0.46 0.87 -0.03 0.16 2.86 -1.37 -2.24 114.93 115.64 1bs9 h MET 96 Ca 0.07 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1bs9 h MET 96 Cb 0.65 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1bs9 h MET 96 CO 0.05 1.05 -0.05 0.22 1.06 0.00 0.00 176.91 179.24 1bs9 h ASP 97 N 0.73 -0.16 -0.32 1.22 1.82 -0.64 -0.21 116.42 118.85 1bs9 h ASP 97 Ca 0.08 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1bs9 h ASP 97 Cb 0.87 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 1bs9 h ASP 97 CO 0.08 -0.08 0.08 0.58 -1.61 0.00 0.00 179.24 178.29 1bs9 h VAL 98 N -0.08 1.22 -0.81 2.25 2.07 -1.38 -0.08 116.25 119.44 1bs9 h VAL 98 Ca 0.03 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1bs9 h VAL 98 Cb 0.13 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1bs9 h VAL 98 CO -0.08 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.15 1bs9 h ALA 99 N 0.91 1.05 0.20 1.67 0.00 -1.13 0.95 119.26 122.91 1bs9 h ALA 99 Ca 0.10 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1bs9 h ALA 99 Cb 0.30 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bs9 h ALA 99 CO 0.00 0.61 -1.60 1.25 0.00 0.00 0.00 179.25 179.52 1bs9 h LEU 100 N 1.16 0.68 0.00 0.00 5.85 -0.97 -0.75 115.31 121.27 1bs9 h LEU 100 Ca 0.28 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1bs9 h LEU 100 Cb 0.12 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1bs9 h LEU 100 CO -0.04 1.74 -1.18 0.00 -0.34 0.00 0.00 178.44 178.62 1bs9 n GLY 102 N 1.43 0.09 2.54 0.00 0.00 0.32 -4.63 105.19 104.95 1bs9 n GLY 102 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1bs9 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs9 n GLY 103 N 0.00 1.54 4.75 -0.02 0.00 0.59 -4.63 105.19 107.42 1bs9 n GLY 103 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1bs9 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs9 n GLY 104 N -2.00 -1.63 2.42 -0.02 0.00 -1.19 -4.75 105.19 98.02 1bs9 n GLY 104 Ca 0.00 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 1bs9 n GLY 104 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bs9 n ASP 105 N -2.01 -1.02 0.04 1.61 -0.08 -0.31 -4.90 116.55 109.89 1bs9 n ASP 105 Ca 0.00 -2.67 0.05 0.00 -1.51 0.00 0.00 54.79 50.66 1bs9 n ASP 105 Cb 0.15 0.05 0.46 0.00 2.34 0.00 0.00 41.12 44.12 1bs9 n ASP 105 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bs9 h PRO 106 N 4.82 0.45 0.00 -0.67 0.11 -1.86 -1.05 132.00 133.80 1bs9 h PRO 106 Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1bs9 h PRO 106 Cb 0.94 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1bs9 h PRO 106 CO 0.34 0.30 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.49 1bs9 h ASN 107 N 0.46 0.00 -0.48 -2.05 -0.26 -1.94 -2.18 115.58 109.13 1bs9 h ASN 107 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1bs9 h ASN 107 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1bs9 h ASN 107 CO -0.03 0.03 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 1bs9 n GLN 108 N -3.25 2.53 -1.10 0.81 1.13 -0.45 -4.96 117.38 112.08 1bs9 n GLN 108 Ca -0.02 -2.30 -0.04 0.00 -1.94 0.00 0.00 57.00 52.71 1bs9 n GLN 108 Cb 0.18 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1bs9 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bs9 n GLY 109 N 1.29 0.66 3.41 1.08 0.00 -0.82 -4.78 105.19 106.02 1bs9 n GLY 109 Ca 0.19 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1bs9 n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bs9 s TYR 110 N -2.12 3.02 -0.18 1.61 5.04 -0.90 -4.90 117.35 118.91 1bs9 s TYR 110 Ca 0.00 -0.78 0.21 0.00 -2.44 0.00 0.00 57.07 54.06 1bs9 s TYR 110 Cb 0.00 -3.80 -0.08 0.00 0.35 0.00 0.00 41.96 38.43 1bs9 s TYR 110 CO 0.00 -1.18 0.90 0.25 -1.34 0.00 0.00 175.55 174.18 1bs9 n THR 111 N 5.57 0.74 -2.33 4.34 -2.24 -1.26 -1.16 114.28 117.95 1bs9 n THR 111 Ca -0.08 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 1bs9 n THR 111 Cb 0.44 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1bs9 n THR 111 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bs9 s ASN 112 N -5.40 6.96 0.00 3.42 3.84 -1.26 -4.85 114.94 117.65 1bs9 s ASN 112 Ca -0.02 2.06 0.24 0.00 0.21 0.00 0.00 52.86 55.34 1bs9 s ASN 112 Cb 0.10 -2.57 0.30 0.00 -0.55 0.00 0.00 41.25 38.53 1bs9 s ASN 112 CO 0.81 -0.60 1.33 0.35 -2.79 0.00 0.00 177.10 176.20 1bs9 n THR 113 N 4.29 0.16 -2.47 -5.21 -2.24 -1.26 -3.19 114.28 104.35 1bs9 n THR 113 Ca 0.11 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 1bs9 n THR 113 Cb 0.45 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 1bs9 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bs9 s ALA 114 N -1.84 2.85 0.25 6.98 0.00 -1.26 -0.30 121.76 128.45 1bs9 s ALA 114 Ca 0.32 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 1bs9 s ALA 114 Cb 0.21 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.92 1bs9 s ALA 114 CO 0.31 -0.42 1.57 0.28 0.00 0.00 0.00 175.76 177.49 1bs9 n VAL 115 N -0.95 0.71 0.04 0.00 0.31 -1.26 -4.40 118.33 112.78 1bs9 n VAL 115 Ca 0.09 -0.18 0.11 0.00 -0.01 0.00 0.00 64.34 64.35 1bs9 n VAL 115 Cb 0.52 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 1bs9 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bs9 n GLN 116 N 2.57 0.64 -2.53 5.55 1.13 -0.30 -4.88 117.38 119.56 1bs9 n GLN 116 Ca 0.12 -0.05 -0.36 0.00 -1.94 0.00 0.00 57.00 54.77 1bs9 n GLN 116 Cb 0.34 -1.66 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 1bs9 n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bs9 s LEU 117 N -4.93 4.02 0.84 1.08 1.43 -1.11 -4.85 118.68 115.16 1bs9 s LEU 117 Ca -0.05 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1bs9 s LEU 117 Cb 0.12 -4.34 0.10 0.00 0.03 0.00 0.00 46.19 42.10 1bs9 s LEU 117 CO 0.85 -0.63 1.10 -0.94 0.23 0.00 0.00 176.35 176.96 1bs9 s SER 118 N -1.72 3.90 0.23 2.29 1.04 -1.26 -4.79 113.70 113.40 1bs9 s SER 118 Ca 0.62 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.71 1bs9 s SER 118 Cb -0.20 -2.40 0.28 0.00 0.10 0.00 0.00 66.02 63.80 1bs9 s SER 118 CO 0.25 -2.41 1.85 0.28 0.98 0.00 0.00 173.24 174.19 1bs9 h SER 119 N -1.39 0.80 -0.76 7.02 0.02 -1.97 -0.50 113.55 116.78 1bs9 h SER 119 Ca -0.46 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1bs9 h SER 119 Cb 1.26 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1bs9 h SER 119 CO 0.51 0.53 0.50 0.28 -1.14 0.00 0.00 176.83 177.51 1bs9 h SER 120 N 0.94 0.86 -0.28 3.07 0.02 -2.00 -2.54 113.55 113.62 1bs9 h SER 120 Ca 0.34 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1bs9 h SER 120 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1bs9 h SER 120 CO -0.15 0.62 -0.19 0.00 -1.14 0.00 0.00 176.83 175.98 1bs9 h ALA 121 N 1.28 0.40 -0.97 3.77 0.00 -1.71 -2.78 119.26 119.25 1bs9 h ALA 121 Ca 0.28 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1bs9 h ALA 121 Cb -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1bs9 h ALA 121 CO -0.06 0.32 0.63 0.28 0.00 0.00 0.00 179.25 180.42 1bs9 h VAL 122 N 0.35 1.10 -0.39 0.00 2.07 -1.03 -1.01 116.25 117.34 1bs9 h VAL 122 Ca 0.06 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1bs9 h VAL 122 Cb 0.72 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1bs9 h VAL 122 CO 0.05 0.21 0.07 -1.13 0.02 0.00 0.00 177.57 176.79 1bs9 h ASN 123 N 1.15 0.55 0.46 0.57 -0.00 -1.21 -2.87 115.58 114.23 1bs9 h ASN 123 Ca 0.41 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.62 1bs9 h ASN 123 Cb 0.14 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1bs9 h ASN 123 CO -0.15 0.57 -0.41 0.23 -0.00 0.00 0.00 177.43 177.68 1bs9 n MET 124 N -4.30 0.21 -2.25 6.67 2.81 -0.61 -4.71 117.12 114.94 1bs9 n MET 124 Ca 0.02 -0.12 -0.43 0.00 -1.81 0.00 0.00 57.70 55.37 1bs9 n MET 124 Cb 0.21 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 1bs9 n MET 124 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1bs9 s VAL 125 N -2.87 3.93 -0.07 2.03 1.01 -0.48 -0.60 120.40 123.34 1bs9 s VAL 125 Ca 0.15 1.08 0.16 0.00 0.00 0.00 0.00 61.98 63.37 1bs9 s VAL 125 Cb 0.18 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 1bs9 s VAL 125 CO 0.64 -0.27 0.27 0.29 0.00 0.00 0.00 175.10 176.03 1bs9 n LYS 126 N 7.25 0.82 -3.69 2.72 4.76 0.08 -4.91 118.16 125.19 1bs9 n LYS 126 Ca 0.16 -0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 1bs9 n LYS 126 Cb 0.45 -1.42 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 1bs9 n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bs9 s ALA 127 N -2.92 -1.30 -0.04 7.82 0.00 -1.23 -4.77 121.76 119.32 1bs9 s ALA 127 Ca -0.07 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1bs9 s ALA 127 Cb 0.09 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1bs9 s ALA 127 CO 0.71 -0.25 -0.06 0.00 0.00 0.00 0.00 175.76 176.15 1bs9 s ALA 128 N 0.15 0.73 -0.17 0.00 0.00 0.47 -1.45 121.76 121.49 1bs9 s ALA 128 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1bs9 s ALA 128 Cb -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1bs9 s ALA 128 CO 0.01 0.03 -0.17 0.42 0.00 0.00 0.00 175.76 176.05 1bs9 s ILE 129 N 0.75 1.85 -0.09 0.00 -1.09 0.03 -1.13 121.20 121.52 1bs9 s ILE 129 Ca -0.11 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.50 1bs9 s ILE 129 Cb -0.14 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 1bs9 s ILE 129 CO 0.01 0.48 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.71 1bs9 s PHE 130 N 1.37 2.79 -0.08 3.97 0.08 -0.39 -0.94 117.98 124.78 1bs9 s PHE 130 Ca 0.04 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.79 1bs9 s PHE 130 Cb -0.13 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 1bs9 s PHE 130 CO -0.12 0.05 -0.13 -1.64 -0.10 0.00 0.00 175.22 173.28 1bs9 s MET 131 N -0.28 1.84 -1.30 0.44 -1.94 -0.69 -1.04 119.30 116.33 1bs9 s MET 131 Ca 0.02 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1bs9 s MET 131 Cb -0.13 -1.53 0.00 0.00 2.01 0.00 0.00 34.83 35.18 1bs9 s MET 131 CO 0.03 0.01 0.01 0.41 -0.01 0.00 0.00 175.02 175.46 1bs9 n GLY 132 N 3.91 -0.26 3.67 -0.03 0.00 -0.44 -0.29 105.19 111.76 1bs9 n GLY 132 Ca -0.21 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1bs9 n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bs9 s ASP 133 N -2.32 6.78 0.15 1.61 -1.08 -1.26 -4.06 116.67 116.49 1bs9 s ASP 133 Ca 0.00 2.09 0.11 0.00 -0.52 0.00 0.00 52.55 54.24 1bs9 s ASP 133 Cb -0.00 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.50 1bs9 s ASP 133 CO 0.01 -0.82 1.34 -2.65 0.52 0.00 0.00 175.17 173.56 1bs9 n PRO 134 N 6.39 0.07 -0.05 4.34 -0.02 -1.26 -1.23 135.00 143.24 1bs9 n PRO 134 Ca 0.15 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1bs9 n PRO 134 Cb 0.43 -1.72 0.46 0.00 -0.02 0.00 0.00 33.50 32.65 1bs9 n PRO 134 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1bs9 n MET 135 N -1.86 1.55 -1.64 -0.52 2.81 -1.26 -1.52 117.12 114.68 1bs9 n MET 135 Ca -0.00 -0.83 -0.45 0.00 -1.81 0.00 0.00 57.70 54.61 1bs9 n MET 135 Cb 0.03 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1bs9 n MET 135 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1bs9 n PHE 136 N 0.04 1.88 -3.64 2.03 -0.00 -0.37 -1.84 117.46 115.55 1bs9 n PHE 136 Ca 0.17 0.53 -0.19 0.00 -0.00 0.00 0.00 57.45 57.96 1bs9 n PHE 136 Cb 0.28 -2.39 -0.16 0.00 -0.00 0.00 0.00 39.48 37.20 1bs9 n PHE 136 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1bs9 s ARG 137 N -0.71 0.02 0.40 -4.13 3.52 -1.26 -1.57 118.95 115.22 1bs9 s ARG 137 Ca 0.67 0.38 -0.26 0.00 -0.13 0.00 0.00 55.73 56.38 1bs9 s ARG 137 Cb -0.69 -0.67 -0.10 0.00 -1.56 0.00 0.00 34.95 31.93 1bs9 s ARG 137 CO 0.53 -0.40 1.26 0.00 -0.81 0.00 0.00 175.30 175.87 1bs9 n ALA 138 N 5.31 1.21 0.00 6.12 0.00 0.37 -3.69 120.51 129.83 1bs9 n ALA 138 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1bs9 n ALA 138 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1bs9 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bs9 n GLY 139 N 0.83 1.06 3.87 0.00 0.00 -1.26 -4.96 105.19 104.73 1bs9 n GLY 139 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1bs9 n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bs9 s LEU 140 N 0.00 4.26 0.54 0.99 1.43 -1.24 -4.99 118.68 119.67 1bs9 s LEU 140 Ca 0.00 0.84 0.32 0.00 -1.03 0.00 0.00 54.13 54.26 1bs9 s LEU 140 Cb 0.00 -3.35 1.43 0.00 0.03 0.00 0.00 46.19 44.30 1bs9 s LEU 140 CO 0.00 0.05 2.02 0.77 0.23 0.00 0.00 176.35 179.42 1bs9 h SER 141 N 3.07 0.00 -0.48 2.29 4.64 -1.96 -2.48 113.55 118.64 1bs9 h SER 141 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1bs9 h SER 141 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1bs9 h SER 141 CO 0.69 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.72 1bs9 n TYR 142 N -3.26 0.74 -4.00 4.77 4.11 -1.26 -4.92 117.16 113.34 1bs9 n TYR 142 Ca -0.00 -0.35 -0.32 0.00 -0.00 0.00 0.00 57.90 57.23 1bs9 n TYR 142 Cb 0.29 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.34 39.53 1bs9 n TYR 142 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1bs9 s GLU 143 N -1.43 3.18 0.01 -3.48 2.02 -0.93 -1.05 118.70 117.00 1bs9 s GLU 143 Ca 0.33 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.83 1bs9 s GLU 143 Cb 0.18 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1bs9 s GLU 143 CO 0.21 0.61 -0.06 0.08 0.02 0.00 0.00 175.26 176.13 1bs9 s VAL 144 N -1.37 0.42 0.00 2.63 1.01 0.02 -4.91 120.40 118.21 1bs9 s VAL 144 Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1bs9 s VAL 144 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1bs9 s VAL 144 CO 0.21 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1bs9 n GLY 145 N 2.54 1.77 0.34 4.51 0.00 -1.26 -1.81 105.19 111.28 1bs9 n GLY 145 Ca -0.16 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 43.96 1bs9 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bs9 n THR 146 N -1.53 0.00 -2.18 2.61 -2.24 -1.12 -4.86 114.28 104.96 1bs9 n THR 146 Ca 0.00 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1bs9 n THR 146 Cb 0.00 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1bs9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bs9 n ALA 148 N 5.11 2.25 -2.64 0.00 0.00 -1.26 -4.65 120.51 119.32 1bs9 n ALA 148 Ca 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1bs9 n ALA 148 Cb 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1bs9 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bs9 n ALA 149 N 0.61 0.00 0.00 0.00 0.00 -1.26 -4.74 120.51 115.12 1bs9 n ALA 149 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1bs9 n ALA 149 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1bs9 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bs9 n GLY 150 N 4.49 -0.09 0.27 0.00 0.00 -1.26 -0.48 105.19 108.11 1bs9 n GLY 150 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 1bs9 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs9 n GLY 151 N -0.05 2.34 0.21 -0.02 0.00 -0.57 -3.46 105.19 103.65 1bs9 n GLY 151 Ca 0.00 -2.15 0.14 0.00 0.00 0.00 0.00 46.02 44.01 1bs9 n GLY 151 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1bs9 h PHE 152 N 0.19 0.00 -0.38 1.61 -5.15 -1.39 -2.31 116.94 109.52 1bs9 h PHE 152 Ca -0.02 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.51 1bs9 h PHE 152 Cb 0.09 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 36.10 1bs9 h PHE 152 CO 0.00 0.00 -0.30 -0.25 -2.00 0.00 0.00 178.31 175.76 1bs9 n ASP 153 N -2.89 3.07 -4.69 -0.68 8.00 -0.58 -5.02 116.55 113.76 1bs9 n ASP 153 Ca 0.03 -3.82 -0.41 0.00 0.71 0.00 0.00 54.79 51.30 1bs9 n ASP 153 Cb 0.41 -0.57 0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1bs9 n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bs9 n GLN 154 N -1.03 1.88 -1.57 -1.24 10.64 -0.87 -4.14 117.38 121.06 1bs9 n GLN 154 Ca 0.33 0.67 -0.37 0.00 -1.83 0.00 0.00 57.00 55.81 1bs9 n GLN 154 Cb 0.91 -2.34 0.08 0.00 -0.86 0.00 0.00 30.24 28.02 1bs9 n GLN 154 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1bs9 n ARG 155 N 0.10 0.85 -1.91 2.61 5.12 -0.77 -4.98 116.66 117.68 1bs9 n ARG 155 Ca 0.07 0.34 -0.32 0.00 -1.93 0.00 0.00 57.85 56.01 1bs9 n ARG 155 Cb 0.39 -2.38 0.02 0.00 -1.16 0.00 0.00 32.46 29.33 1bs9 n ARG 155 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1bs9 s PRO 156 N -3.31 3.15 0.29 5.56 0.04 -1.26 -4.80 135.00 134.66 1bs9 s PRO 156 Ca 0.79 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1bs9 s PRO 156 Cb -0.37 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.03 1bs9 s PRO 156 CO 0.45 -0.95 1.41 0.00 0.04 0.00 0.00 177.00 177.95 1bs9 n ALA 157 N -2.29 1.51 -0.05 8.56 0.00 -1.26 -2.23 120.51 124.75 1bs9 n ALA 157 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1bs9 n ALA 157 Cb 0.53 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1bs9 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bs9 n GLY 158 N 1.67 0.60 3.76 0.00 0.00 -1.26 -5.04 105.19 104.92 1bs9 n GLY 158 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1bs9 n GLY 158 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bs9 s PHE 159 N -2.25 2.59 -0.02 1.61 5.36 -0.95 -5.04 117.98 119.28 1bs9 s PHE 159 Ca 0.00 1.40 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1bs9 s PHE 159 Cb 0.00 -3.70 0.01 0.00 -0.34 0.00 0.00 43.02 38.99 1bs9 s PHE 159 CO 0.00 -2.39 -0.06 0.45 -1.46 0.00 0.00 175.22 171.76 1bs9 s SER 160 N -0.88 0.83 -0.21 6.13 0.15 -1.26 -4.99 113.70 113.46 1bs9 s SER 160 Ca 0.64 -0.12 -0.11 0.00 0.70 0.00 0.00 55.95 57.05 1bs9 s SER 160 Cb -0.38 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1bs9 s SER 160 CO 0.47 0.03 0.18 0.00 1.20 0.00 0.00 173.24 175.12 1bs9 h PRO 162 N 7.08 0.00 -0.81 0.00 0.11 -1.89 -2.01 132.00 134.48 1bs9 h PRO 162 Ca -0.39 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.47 1bs9 h PRO 162 Cb 1.16 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 1bs9 h PRO 162 CO 0.71 0.00 0.31 0.43 -0.21 0.00 0.00 178.00 179.25 1bs9 n SER 163 N -4.40 4.57 -0.33 -2.05 7.64 -1.26 -4.69 113.62 113.10 1bs9 n SER 163 Ca -0.01 -3.20 0.20 0.00 1.01 0.00 0.00 58.87 56.87 1bs9 n SER 163 Cb 0.15 -0.75 0.42 0.00 -1.01 0.00 0.00 64.21 63.02 1bs9 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bs9 h ALA 164 N 2.45 1.77 0.00 -0.43 0.00 -1.76 -0.87 119.26 120.41 1bs9 h ALA 164 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1bs9 h ALA 164 Cb 2.34 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1bs9 h ALA 164 CO 0.76 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1bs9 n ALA 165 N -2.39 1.54 1.18 0.00 0.00 -1.26 -2.34 120.51 117.24 1bs9 n ALA 165 Ca 0.29 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.97 1bs9 n ALA 165 Cb 0.88 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 19.19 1bs9 n ALA 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bs9 n LYS 166 N -2.29 1.83 -4.75 0.00 5.02 -0.33 -4.97 118.16 112.66 1bs9 n LYS 166 Ca 0.01 -1.36 -0.31 0.00 -2.02 0.00 0.00 58.31 54.63 1bs9 n LYS 166 Cb 0.20 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1bs9 n LYS 166 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bs9 s ILE 167 N -2.11 2.68 -0.07 -0.18 1.01 -0.99 -0.39 121.20 121.15 1bs9 s ILE 167 Ca 0.30 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1bs9 s ILE 167 Cb 0.20 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1bs9 s ILE 167 CO 0.37 0.38 -0.16 -0.54 0.00 0.00 0.00 174.94 174.99 1bs9 s LYS 168 N -1.30 2.03 -0.10 2.79 -0.14 -0.28 -4.70 119.74 118.04 1bs9 s LYS 168 Ca 0.14 -0.55 0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1bs9 s LYS 168 Cb -0.10 -1.64 0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1bs9 s LYS 168 CO 0.04 0.09 -0.11 0.45 -0.76 0.00 0.00 175.35 175.06 1bs9 s SER 169 N 0.51 2.13 -0.10 2.83 0.15 -0.22 -1.27 113.70 117.73 1bs9 s SER 169 Ca -0.14 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 1bs9 s SER 169 Cb -0.16 -0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1bs9 s SER 169 CO 0.05 -0.05 -0.07 -0.31 1.20 0.00 0.00 173.24 174.06 1bs9 s TYR 170 N 1.26 2.95 -0.28 3.44 2.02 -0.20 -0.80 117.35 125.74 1bs9 s TYR 170 Ca -0.03 -0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.31 1bs9 s TYR 170 Cb -0.14 -1.81 0.10 0.00 -0.40 0.00 0.00 41.96 39.71 1bs9 s TYR 170 CO -0.04 0.14 0.79 0.00 -1.57 0.00 0.00 175.55 174.87 1bs9 s ASP 172 N 1.14 5.24 0.22 0.00 1.01 -1.26 -2.26 116.67 120.76 1bs9 s ASP 172 Ca -0.06 -0.36 -0.07 0.00 0.71 0.00 0.00 52.55 52.77 1bs9 s ASP 172 Cb -0.05 -1.24 0.19 0.00 1.01 0.00 0.00 42.92 42.83 1bs9 s ASP 172 CO -0.13 -0.03 1.77 0.00 0.21 0.00 0.00 175.17 177.00 1bs9 h ALA 173 N 1.60 1.05 -0.00 5.23 0.00 -1.91 -2.15 119.26 123.08 1bs9 h ALA 173 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1bs9 h ALA 173 Cb 1.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1bs9 h ALA 173 CO 0.61 0.65 -0.01 -1.13 0.00 0.00 0.00 179.25 179.37 1bs9 n SER 174 N -4.26 0.41 -4.69 0.00 3.41 -1.26 -2.83 113.62 104.39 1bs9 n SER 174 Ca 0.06 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1bs9 n SER 174 Cb 0.21 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1bs9 n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bs9 s ASP 175 N -2.08 6.99 0.00 4.04 -1.08 -0.81 -0.51 116.67 123.23 1bs9 s ASP 175 Ca 0.43 1.95 0.30 0.00 -0.52 0.00 0.00 52.55 54.71 1bs9 s ASP 175 Cb 0.21 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.59 1bs9 s ASP 175 CO 0.38 -0.61 2.00 -0.81 0.52 0.00 0.00 175.17 176.65 1bs9 n PRO 176 N 5.01 0.95 -0.06 4.34 -0.04 -1.25 -1.83 135.00 142.12 1bs9 n PRO 176 Ca 0.11 -0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 1bs9 n PRO 176 Cb 0.45 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1bs9 n PRO 176 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bs9 n TYR 177 N -0.80 0.00 0.55 0.54 4.01 -1.26 -4.66 117.16 115.53 1bs9 n TYR 177 Ca 0.19 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.05 1bs9 n TYR 177 Cb 0.22 -0.42 0.12 0.00 -0.31 0.00 0.00 39.34 38.95 1bs9 n TYR 177 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bs9 n ASN 180 N -0.73 2.29 -2.03 0.00 6.94 -1.17 -4.39 115.26 116.18 1bs9 n ASN 180 Ca 0.00 -3.85 0.00 0.00 -0.02 0.00 0.00 54.58 50.71 1bs9 n ASN 180 Cb 0.00 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 1bs9 n ASN 180 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bs9 n GLY 181 N -1.11 -0.13 0.14 4.83 0.00 -0.76 -4.93 105.19 103.23 1bs9 n GLY 181 Ca 0.28 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.52 1bs9 n GLY 181 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bs9 n SER 182 N -2.15 0.68 -4.08 1.61 3.41 -0.95 -3.78 113.62 108.36 1bs9 n SER 182 Ca 0.00 -1.70 -0.34 0.00 -0.26 0.00 0.00 58.87 56.56 1bs9 n SER 182 Cb 0.00 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 1bs9 n SER 182 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bs9 s ASN 183 N -0.80 5.07 0.54 4.04 3.84 0.34 -4.92 114.94 123.05 1bs9 s ASN 183 Ca 0.04 -2.11 0.20 0.00 0.21 0.00 0.00 52.86 51.19 1bs9 s ASN 183 Cb 0.03 -1.76 1.39 0.00 -0.55 0.00 0.00 41.25 40.36 1bs9 s ASN 183 CO 0.00 -0.48 2.15 0.00 -2.79 0.00 0.00 177.10 175.99 1bs9 h ALA 184 N 7.84 1.96 -0.64 1.71 0.00 -1.94 -2.06 119.26 126.13 1bs9 h ALA 184 Ca -0.09 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1bs9 h ALA 184 Cb 1.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1bs9 h ALA 184 CO 0.64 -0.07 0.43 0.00 0.00 0.00 0.00 179.25 180.24 1bs9 h ALA 185 N 1.97 1.85 -0.84 0.00 0.00 -1.92 -1.20 119.26 119.11 1bs9 h ALA 185 Ca 0.03 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1bs9 h ALA 185 Cb 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1bs9 h ALA 185 CO -0.00 0.03 0.55 1.15 0.00 0.00 0.00 179.25 180.97 1bs9 h THR 186 N 0.57 0.96 0.00 0.00 2.02 -1.69 -2.04 112.91 112.73 1bs9 h THR 186 Ca 0.29 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1bs9 h THR 186 Cb 0.38 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1bs9 h THR 186 CO -0.09 0.15 -0.07 -0.74 0.37 0.00 0.00 175.52 175.14 1bs9 h HIS 187 N 0.81 0.00 -0.01 3.16 6.17 -1.36 -2.72 115.15 121.20 1bs9 h HIS 187 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.47 1bs9 h HIS 187 Cb 0.42 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.35 1bs9 h HIS 187 CO -0.00 0.07 -0.13 1.04 0.71 0.00 0.00 177.93 179.62 1bs9 n GLN 188 N -3.58 1.44 -0.13 5.26 1.13 -0.77 -4.46 117.38 116.27 1bs9 n GLN 188 Ca -0.02 -0.94 0.07 0.00 -1.94 0.00 0.00 57.00 54.17 1bs9 n GLN 188 Cb 0.18 -1.48 0.13 0.00 0.11 0.00 0.00 30.24 29.19 1bs9 n GLN 188 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bs9 n GLY 189 N 1.28 1.56 0.25 1.08 0.00 -1.02 -4.64 105.19 103.68 1bs9 n GLY 189 Ca 0.15 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1bs9 n GLY 189 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bs9 h TYR 190 N 2.59 0.00 -0.43 1.61 0.05 -1.78 -1.88 116.97 117.13 1bs9 h TYR 190 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1bs9 h TYR 190 Cb 0.70 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1bs9 h TYR 190 CO 0.17 0.14 0.14 0.78 -1.05 0.00 0.00 178.16 178.34 1bs9 h GLY 191 N 1.86 0.72 1.94 3.88 0.00 -1.88 -0.19 103.07 109.40 1bs9 h GLY 191 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 47.33 46.70 1bs9 h GLY 191 CO 0.02 0.39 -0.98 0.23 0.00 0.00 0.00 176.54 176.21 1bs9 h SER 192 N 0.56 0.07 -0.15 0.19 0.87 -1.83 -0.40 113.55 112.86 1bs9 h SER 192 Ca 0.14 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 1bs9 h SER 192 Cb 0.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1bs9 h SER 192 CO -0.01 1.00 -0.34 -0.08 -0.53 0.00 0.00 176.83 176.88 1bs9 h GLU 193 N 0.02 0.50 -0.01 2.24 4.81 -1.18 -3.38 114.58 117.58 1bs9 h GLU 193 Ca -0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1bs9 h GLU 193 Cb 1.70 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1bs9 h GLU 193 CO 0.13 0.94 0.00 0.66 -0.73 0.00 0.00 179.01 180.02 1bs9 n TYR 194 N -4.34 0.01 -0.19 0.92 4.01 -0.10 -4.77 117.16 112.70 1bs9 n TYR 194 Ca -0.07 -0.12 -0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1bs9 n TYR 194 Cb 0.50 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 39.62 1bs9 n TYR 194 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bs9 h GLY 195 N 0.20 0.77 1.06 2.72 0.00 -1.07 -0.10 103.07 106.65 1bs9 h GLY 195 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1bs9 h GLY 195 CO 0.00 -0.05 -0.22 0.23 0.00 0.00 0.00 176.54 176.50 1bs9 h SER 196 N 0.33 0.93 -0.85 0.19 0.87 -1.86 -1.16 113.55 112.00 1bs9 h SER 196 Ca 0.29 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1bs9 h SER 196 Cb 0.39 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1bs9 h SER 196 CO -0.33 1.13 0.41 1.56 -0.53 0.00 0.00 176.83 179.07 1bs9 h GLN 197 N 0.72 1.23 -0.37 2.24 4.20 -1.79 -0.97 115.11 120.37 1bs9 h GLN 197 Ca 0.09 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1bs9 h GLN 197 Cb 0.79 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1bs9 h GLN 197 CO 0.06 0.94 0.08 0.00 -0.67 0.00 0.00 178.83 179.25 1bs9 h ALA 198 N 1.22 0.48 -0.47 3.87 0.00 -0.84 -1.69 119.26 121.83 1bs9 h ALA 198 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1bs9 h ALA 198 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1bs9 h ALA 198 CO -0.04 0.16 -0.05 1.25 0.00 0.00 0.00 179.25 180.57 1bs9 h LEU 199 N 0.44 0.79 -0.74 0.00 5.85 -1.02 -0.92 115.31 119.71 1bs9 h LEU 199 Ca 0.11 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1bs9 h LEU 199 Cb 0.32 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1bs9 h LEU 199 CO 0.00 0.89 0.46 0.00 -0.34 0.00 0.00 178.44 179.45 1bs9 h ALA 200 N 1.19 0.97 -0.17 1.25 0.00 -0.96 -0.06 119.26 121.49 1bs9 h ALA 200 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1bs9 h ALA 200 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bs9 h ALA 200 CO 0.03 0.25 0.06 0.35 0.00 0.00 0.00 179.25 179.94 1bs9 h PHE 201 N 0.90 0.26 -0.45 0.00 3.57 -0.83 -0.64 116.94 119.75 1bs9 h PHE 201 Ca 0.30 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.82 1bs9 h PHE 201 Cb 0.03 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1bs9 h PHE 201 CO -0.04 0.34 0.20 0.28 -2.23 0.00 0.00 178.31 176.86 1bs9 h VAL 202 N 0.11 0.92 -1.01 1.41 2.07 -0.74 -1.70 116.25 117.31 1bs9 h VAL 202 Ca 0.06 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1bs9 h VAL 202 Cb 0.19 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1bs9 h VAL 202 CO -0.00 0.07 0.65 0.11 0.02 0.00 0.00 177.57 178.42 1bs9 h LYS 203 N 0.40 1.18 0.00 1.57 1.57 -0.86 -0.30 116.57 120.13 1bs9 h LYS 203 Ca 0.20 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1bs9 h LYS 203 Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1bs9 h LYS 203 CO -0.17 0.78 -0.23 0.66 -0.57 0.00 0.00 179.45 179.92 1bs9 h SER 204 N 1.21 0.00 0.61 0.86 4.64 -0.21 -1.33 113.55 119.34 1bs9 h SER 204 Ca 0.42 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.47 1bs9 h SER 204 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1bs9 h SER 204 CO -0.16 0.23 -1.49 0.11 -0.87 0.00 0.00 176.83 174.65 1bs9 h LYS 205 N 0.00 0.06 0.12 4.77 1.79 -0.86 -3.36 116.57 119.09 1bs9 h LYS 205 Ca -0.00 -0.10 -0.31 0.00 -2.18 0.00 0.00 60.65 58.06 1bs9 h LYS 205 Cb 0.44 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1bs9 h LYS 205 CO 0.03 0.79 -1.54 -0.07 -1.08 0.00 0.00 179.45 177.57 1bs9 h LEU 206 N 0.02 0.41 0.00 2.94 3.38 -0.88 -3.49 115.31 117.69 1bs9 h LEU 206 Ca -0.21 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1bs9 h LEU 206 Cb 1.95 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1bs9 h LEU 206 CO 0.11 1.47 0.00 0.61 0.09 0.00 0.00 178.44 180.72