#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3det s ILE 2 N 0.00 3.49 -0.13 2.12 -1.09 -1.26 -5.04 121.20 119.29 3det s ILE 2 Ca 0.00 1.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 3det s ILE 2 Cb 0.00 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3det s ILE 2 CO 0.00 0.35 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.19 3det s VAL 3 N -1.12 2.46 -0.14 2.92 1.01 -1.26 -4.72 120.40 119.55 3det s VAL 3 Ca 0.45 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3det s VAL 3 Cb -0.32 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3det s VAL 3 CO 0.41 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 175.24 3det s LEU 4 N 0.58 3.20 -0.29 3.92 1.43 -1.26 -1.83 118.68 124.44 3det s LEU 4 Ca -0.11 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3det s LEU 4 Cb -0.16 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.38 3det s LEU 4 CO 0.03 0.20 -0.04 -0.89 0.23 0.00 0.00 176.35 175.88 3det s THR 5 N 0.19 2.19 0.22 5.49 2.01 -0.57 -3.64 115.64 121.54 3det s THR 5 Ca -0.03 -1.92 -0.21 0.00 0.31 0.00 0.00 61.69 59.85 3det s THR 5 Cb -0.14 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.85 3det s THR 5 CO 0.03 -0.27 0.74 -1.10 -0.69 0.00 0.00 174.62 173.34 3det s GLN 6 N 1.03 4.30 0.00 4.92 -0.21 -1.26 -2.23 119.66 126.21 3det s GLN 6 Ca -0.01 0.93 0.00 0.00 0.02 0.00 0.00 55.36 56.30 3det s GLN 6 Cb -0.20 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3det s GLN 6 CO -0.06 0.40 0.00 0.45 -2.12 0.00 0.00 175.29 173.96 3det n SER 7 N 0.80 0.00 -4.60 5.90 2.88 -1.13 -4.48 113.62 112.99 3det n SER 7 Ca -0.02 0.31 -0.43 0.00 -1.33 0.00 0.00 58.87 57.40 3det n SER 7 Cb 0.51 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 3det n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3det s PRO 8 N -0.76 3.48 0.29 -1.46 0.04 -1.26 -4.86 135.00 130.47 3det s PRO 8 Ca 0.00 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 3det s PRO 8 Cb 0.00 -4.07 0.43 0.00 0.04 0.00 0.00 34.50 30.91 3det s PRO 8 CO 0.00 -1.68 1.94 0.00 0.04 0.00 0.00 177.00 177.30 3det h ALA 9 N 11.08 1.42 -2.70 8.56 0.00 -1.87 -3.38 119.26 132.37 3det h ALA 9 Ca -0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3det h ALA 9 Cb 1.11 -0.33 -0.19 0.00 0.00 0.00 0.00 17.79 18.39 3det h ALA 9 CO 1.10 0.50 -0.63 0.42 0.00 0.00 0.00 179.25 180.64 3det s ILE 10 N -5.96 0.14 0.13 0.00 1.01 -1.26 -2.08 121.20 113.17 3det s ILE 10 Ca -0.12 -1.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 3det s ILE 10 Cb 0.19 -0.72 0.07 0.00 0.01 0.00 0.00 42.46 42.01 3det s ILE 10 CO 0.80 -0.63 0.62 0.00 0.00 0.00 0.00 174.94 175.73 3det s MET 11 N -2.30 1.24 0.04 2.79 0.23 -0.57 -4.88 119.30 115.85 3det s MET 11 Ca -0.08 -0.38 0.06 0.00 -1.03 0.00 0.00 55.69 54.26 3det s MET 11 Cb -0.03 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 3det s MET 11 CO -0.04 -0.53 -0.17 -1.12 -2.03 0.00 0.00 175.02 171.14 3det s SER 12 N -2.56 1.99 -0.24 -1.18 0.01 -1.25 -0.04 113.70 110.43 3det s SER 12 Ca -0.00 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 56.58 3det s SER 12 Cb -0.01 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.15 3det s SER 12 CO -0.10 0.08 0.62 0.00 0.41 0.00 0.00 173.24 174.25 3det s ALA 13 N -0.85 -1.60 0.40 1.44 0.00 -1.06 -4.80 121.76 115.29 3det s ALA 13 Ca 0.04 1.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.73 3det s ALA 13 Cb -0.08 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 3det s ALA 13 CO 0.02 -0.32 0.99 0.00 0.00 0.00 0.00 175.76 176.45 3det s ALA 14 N 0.89 3.08 0.12 0.00 0.00 -1.26 -2.88 121.76 121.70 3det s ALA 14 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3det s ALA 14 Cb -0.05 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3det s ALA 14 CO -0.08 -0.04 0.00 -2.30 0.00 0.00 0.00 175.76 173.35 3det n PRO 15 N -0.19 0.63 -0.24 0.00 -0.02 -1.26 -3.88 135.00 130.03 3det n PRO 15 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3det n PRO 15 Cb 0.51 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 3det n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3det n GLY 16 N 0.70 0.00 3.64 -1.23 0.00 0.57 -4.52 105.19 104.35 3det n GLY 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3det n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3det s ASP 17 N 0.00 -0.46 0.27 1.61 -1.08 -1.22 -4.60 116.67 111.19 3det s ASP 17 Ca 0.00 0.74 -0.29 0.00 -0.52 0.00 0.00 52.55 52.48 3det s ASP 17 Cb 0.00 1.17 -0.14 0.00 -1.46 0.00 0.00 42.92 42.48 3det s ASP 17 CO 0.00 -0.12 1.02 1.17 0.52 0.00 0.00 175.17 177.76 3det n LYS 18 N 3.57 1.27 -3.95 4.34 4.81 -1.24 -3.14 118.16 123.82 3det n LYS 18 Ca -0.18 0.45 -0.12 0.00 -0.87 0.00 0.00 58.31 57.59 3det n LYS 18 Cb 0.57 -1.82 -0.13 0.00 0.02 0.00 0.00 35.03 33.67 3det n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3det s VAL 19 N -0.91 0.12 -0.08 3.15 1.01 -0.19 -4.94 120.40 118.56 3det s VAL 19 Ca 0.61 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 3det s VAL 19 Cb -0.73 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 35.53 3det s VAL 19 CO 0.58 -0.13 0.17 -0.89 0.00 0.00 0.00 175.10 174.83 3det s THR 20 N -0.46 -0.21 -0.03 3.92 2.01 -1.26 -0.53 115.64 119.08 3det s THR 20 Ca -0.04 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.29 3det s THR 20 Cb -0.03 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 3det s THR 20 CO -0.00 0.12 -0.11 0.00 -0.69 0.00 0.00 174.62 173.94 3det s MET 21 N 1.96 2.52 0.50 4.92 0.23 -0.75 -4.86 119.30 123.82 3det s MET 21 Ca -0.01 -0.70 -0.05 0.00 -1.03 0.00 0.00 55.69 53.89 3det s MET 21 Cb -0.12 -2.44 -0.03 0.00 -1.53 0.00 0.00 34.83 30.71 3det s MET 21 CO -0.06 0.62 0.81 0.99 -2.03 0.00 0.00 175.02 175.35 3det s THR 22 N -0.86 4.73 -0.08 3.16 2.01 -1.26 -1.64 115.64 121.71 3det s THR 22 Ca 0.14 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 3det s THR 22 Cb -0.11 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.64 3det s THR 22 CO 0.03 -0.81 0.13 0.00 -0.69 0.00 0.00 174.62 173.29 3det s SER 24 N 2.26 2.81 -0.05 0.00 0.01 -0.95 -1.72 113.70 116.06 3det s SER 24 Ca 0.04 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3det s SER 24 Cb -0.12 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 3det s SER 24 CO -0.05 0.22 -0.04 0.00 0.41 0.00 0.00 173.24 173.77 3det s ALA 25 N -0.11 3.09 0.28 1.44 0.00 -0.81 -1.52 121.76 124.13 3det s ALA 25 Ca -0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3det s ALA 25 Cb -0.13 -1.28 0.40 0.00 0.00 0.00 0.00 23.12 22.12 3det s ALA 25 CO 0.03 0.59 1.81 0.66 0.00 0.00 0.00 175.76 178.86 3det h SER 26 N 4.96 0.74 -0.71 0.00 4.64 -1.71 -3.43 113.55 118.04 3det h SER 26 Ca -0.49 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3det h SER 26 Cb 1.18 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3det h SER 26 CO 0.54 0.75 0.00 -1.20 -0.87 0.00 0.00 176.83 176.05 3det n SER 27 N -4.26 1.03 -4.55 4.97 7.64 -1.26 -5.02 113.62 112.17 3det n SER 27 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.57 3det n SER 27 Cb 0.25 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.33 3det n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3det s SER 28 N 0.68 4.91 0.30 6.43 0.15 -1.26 -4.67 113.70 120.24 3det s SER 28 Ca 0.00 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.63 3det s SER 28 Cb 0.00 -1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 62.61 3det s SER 28 CO 0.00 0.24 0.12 0.68 1.20 0.00 0.00 173.24 175.47 3det s VAL 29 N -0.03 0.59 -0.05 4.45 -7.23 0.72 -4.92 120.40 113.91 3det s VAL 29 Ca 0.02 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 3det s VAL 29 Cb -0.13 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.25 3det s VAL 29 CO 0.02 0.00 0.25 -0.94 -0.31 0.00 0.00 175.10 174.12 3det s SER 30 N -3.40 -0.19 -1.23 4.85 1.04 -1.26 -3.68 113.70 109.83 3det s SER 30 Ca 0.35 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 57.02 3det s SER 30 Cb 0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3det s SER 30 CO 0.15 -0.24 1.01 -1.22 0.98 0.00 0.00 173.24 173.92 3det n TYR 31 N 2.19 -2.26 -0.64 5.02 4.02 -1.26 -4.36 117.16 119.86 3det n TYR 31 Ca -0.17 0.94 -0.31 0.00 -0.01 0.00 0.00 57.90 58.35 3det n TYR 31 Cb 0.57 -5.04 0.18 0.00 -0.02 0.00 0.00 39.34 35.03 3det n TYR 31 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3det n ILE 32 N -4.25 0.00 -4.44 -0.72 -5.35 -1.26 -3.48 119.36 99.86 3det n ILE 32 Ca -0.25 -0.14 -0.25 0.00 -0.27 0.00 0.00 62.75 61.84 3det n ILE 32 Cb 0.66 -0.93 -0.11 0.00 -1.74 0.00 0.00 39.64 37.51 3det n ILE 32 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3det s HIS 33 N -2.54 2.23 -0.08 4.28 3.76 0.16 -0.32 115.29 122.79 3det s HIS 33 Ca 0.66 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 3det s HIS 33 Cb -0.23 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.44 3det s HIS 33 CO 0.61 0.59 -0.14 -1.58 -0.85 0.00 0.00 174.74 173.37 3det s TRP 34 N -2.15 1.66 -0.01 1.40 0.52 0.70 -0.32 118.94 120.73 3det s TRP 34 Ca 0.25 -0.66 0.07 0.00 0.02 0.00 0.00 56.10 55.78 3det s TRP 34 Cb -0.06 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 3det s TRP 34 CO 0.12 -0.34 -0.23 0.71 0.02 0.00 0.00 176.95 177.23 3det s TYR 35 N 0.74 2.42 -0.26 -1.98 1.51 0.15 0.35 117.35 120.28 3det s TYR 35 Ca -0.13 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.47 3det s TYR 35 Cb -0.16 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3det s TYR 35 CO 0.03 0.05 0.14 -1.14 -1.11 0.00 0.00 175.55 173.52 3det s GLN 36 N -0.77 3.89 -0.18 -0.62 0.74 0.93 -0.05 119.66 123.61 3det s GLN 36 Ca 0.11 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.16 3det s GLN 36 Cb -0.10 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.50 3det s GLN 36 CO 0.00 -0.12 -0.17 -1.14 -0.55 0.00 0.00 175.29 173.31 3det s GLN 37 N 1.53 3.09 0.11 1.67 0.74 0.10 -1.49 119.66 125.41 3det s GLN 37 Ca 0.07 -0.79 -0.13 0.00 0.05 0.00 0.00 55.36 54.56 3det s GLN 37 Cb -0.15 -2.62 -0.06 0.00 1.10 0.00 0.00 33.01 31.27 3det s GLN 37 CO 0.07 -0.14 0.48 0.15 -0.55 0.00 0.00 175.29 175.31 3det s LYS 38 N 1.17 3.90 -0.21 1.67 1.02 -1.26 -0.71 119.74 125.31 3det s LYS 38 Ca 0.02 0.37 -0.42 0.00 0.02 0.00 0.00 55.97 55.96 3det s LYS 38 Cb -0.14 -2.98 -0.18 0.00 -0.52 0.00 0.00 37.83 34.01 3det s LYS 38 CO -0.08 0.53 1.45 0.43 -0.92 0.00 0.00 175.35 176.76 3det n SER 39 N 0.92 1.29 0.00 2.83 7.64 -1.26 -2.47 113.62 122.57 3det n SER 39 Ca -0.07 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3det n SER 39 Cb 0.52 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 3det n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3det n GLY 40 N 3.14 1.00 3.23 0.23 0.00 -1.26 -5.01 105.19 106.53 3det n GLY 40 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 3det n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3det s THR 41 N -3.63 1.13 0.27 2.61 -1.32 -1.03 -5.13 115.64 108.54 3det s THR 41 Ca 0.00 -1.91 -0.30 0.00 -1.21 0.00 0.00 61.69 58.27 3det s THR 41 Cb 0.00 -1.68 -0.12 0.00 -1.51 0.00 0.00 72.50 69.19 3det s THR 41 CO 0.00 -0.66 1.63 -0.94 -2.21 0.00 0.00 174.62 172.45 3det s SER 42 N -2.89 6.36 0.46 8.08 1.04 -1.26 -4.49 113.70 121.00 3det s SER 42 Ca 0.13 2.94 -0.23 0.00 0.48 0.00 0.00 55.95 59.27 3det s SER 42 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 3det s SER 42 CO 0.01 -0.94 0.94 -2.65 0.98 0.00 0.00 173.24 171.58 3det n PRO 43 N 2.63 1.18 -5.13 4.02 -0.02 -1.26 -4.80 135.00 131.61 3det n PRO 43 Ca 0.10 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3det n PRO 43 Cb 0.37 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 3det n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3det s LYS 44 N -2.11 2.82 0.05 -0.52 1.02 -0.56 -4.95 119.74 115.50 3det s LYS 44 Ca 0.66 -0.81 -0.32 0.00 0.02 0.00 0.00 55.97 55.52 3det s LYS 44 Cb -0.53 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 34.52 3det s LYS 44 CO 0.55 0.16 1.88 -2.13 -0.92 0.00 0.00 175.35 174.90 3det n ARG 45 N 3.54 2.65 -0.03 1.68 0.63 -1.26 -0.05 116.66 123.82 3det n ARG 45 Ca -0.20 0.97 -0.05 0.00 -0.92 0.00 0.00 57.85 57.66 3det n ARG 45 Cb 0.53 -2.87 -0.02 0.00 0.45 0.00 0.00 32.46 30.56 3det n ARG 45 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 3det n TRP 46 N 6.42 0.00 -4.31 -0.14 -0.00 0.16 -4.79 117.44 114.78 3det n TRP 46 Ca 0.20 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.50 3det n TRP 46 Cb 0.36 -0.26 -0.16 0.00 -0.00 0.00 0.00 31.31 31.26 3det n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3det s ILE 47 N -2.37 0.67 0.16 5.87 1.01 -0.46 -1.46 121.20 124.63 3det s ILE 47 Ca -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3det s ILE 47 Cb 0.02 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 3det s ILE 47 CO 0.22 0.22 -0.06 -0.72 0.00 0.00 0.00 174.94 174.61 3det s TYR 48 N 0.35 1.26 -1.25 3.97 -0.85 -0.69 0.25 117.35 120.39 3det s TYR 48 Ca -0.05 -0.86 -0.01 0.00 -0.52 0.00 0.00 57.07 55.63 3det s TYR 48 Cb -0.09 -0.69 -0.00 0.00 0.38 0.00 0.00 41.96 41.55 3det s TYR 48 CO 0.00 -0.03 0.80 -0.25 -1.52 0.00 0.00 175.55 174.56 3det n ASP 49 N -0.23 -1.89 0.00 -0.18 8.00 -0.91 -0.42 116.55 120.92 3det n ASP 49 Ca -0.09 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3det n ASP 49 Cb 0.62 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 3det n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3det n THR 50 N -4.16 0.00 -1.12 -3.53 -1.04 0.57 -3.95 114.28 101.04 3det n THR 50 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3det n THR 50 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 3det n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3det n SER 51 N 1.46 0.00 -4.76 8.00 3.41 -1.17 -3.73 113.62 116.82 3det n SER 51 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 3det n SER 51 Cb 0.00 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3det n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3det s LYS 52 N 0.00 4.55 0.25 4.33 1.02 0.44 -4.56 119.74 125.76 3det s LYS 52 Ca 0.00 1.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.84 3det s LYS 52 Cb 0.00 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 3det s LYS 52 CO 0.00 0.42 0.93 -0.51 -0.92 0.00 0.00 175.35 175.27 3det s LEU 53 N -0.60 4.60 0.23 3.17 1.43 -1.26 -1.70 118.68 124.54 3det s LEU 53 Ca 0.38 1.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.09 3det s LEU 53 Cb -0.22 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.27 3det s LEU 53 CO 0.25 0.13 0.91 -0.89 0.23 0.00 0.00 176.35 176.98 3det s THR 54 N -1.24 4.13 -0.43 5.49 2.01 -0.54 -4.91 115.64 120.16 3det s THR 54 Ca 0.42 2.01 -0.45 0.00 0.31 0.00 0.00 61.69 63.97 3det s THR 54 Cb -0.25 -4.28 -0.19 0.00 0.01 0.00 0.00 72.50 67.80 3det s THR 54 CO 0.30 0.49 1.62 -0.24 -0.69 0.00 0.00 174.62 176.10 3det n SER 55 N 1.46 1.48 0.00 3.53 2.88 -1.26 -0.83 113.62 120.89 3det n SER 55 Ca -0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3det n SER 55 Cb 0.47 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 3det n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3det n GLY 56 N 3.97 3.22 3.68 0.46 0.00 -1.26 -5.07 105.19 110.19 3det n GLY 56 Ca 0.29 -1.01 -0.50 0.00 0.00 0.00 0.00 46.02 44.80 3det n GLY 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3det n VAL 57 N 0.00 0.52 -0.98 1.61 0.31 -0.01 -4.93 118.33 114.85 3det n VAL 57 Ca 0.00 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 63.89 3det n VAL 57 Cb 0.00 -1.78 0.14 0.00 -0.91 0.00 0.00 33.84 31.29 3det n VAL 57 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3det n PRO 58 N 6.59 -0.01 0.19 5.55 -0.04 -1.26 -4.86 135.00 141.15 3det n PRO 58 Ca 0.24 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 3det n PRO 58 Cb 0.27 -2.38 0.43 0.00 -0.04 0.00 0.00 33.50 31.77 3det n PRO 58 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3det h VAL 59 N -1.19 0.00 0.00 0.52 -1.51 -2.00 -2.63 116.25 109.44 3det h VAL 59 Ca -0.45 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3det h VAL 59 Cb 1.29 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 3det h VAL 59 CO 0.44 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.67 3det n ARG 60 N -2.73 0.01 -3.60 5.19 1.85 -1.26 -4.46 116.66 111.66 3det n ARG 60 Ca 0.03 0.34 -0.37 0.00 -1.00 0.00 0.00 57.85 56.86 3det n ARG 60 Cb 0.39 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.23 3det n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3det s PHE 61 N -2.72 3.52 0.16 2.89 0.40 -0.99 -1.26 117.98 119.99 3det s PHE 61 Ca 0.01 0.63 -0.13 0.00 -0.60 0.00 0.00 56.93 56.84 3det s PHE 61 Cb 0.01 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.30 3det s PHE 61 CO 0.02 0.39 0.38 -1.54 0.70 0.00 0.00 175.22 175.17 3det s SER 62 N -0.04 -0.12 0.23 1.36 1.04 -0.46 -4.96 113.70 110.76 3det s SER 62 Ca 0.17 -0.59 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 3det s SER 62 Cb -0.13 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3det s SER 62 CO 0.05 -0.92 0.43 -0.83 0.98 0.00 0.00 173.24 172.95 3det s GLY 63 N -2.89 0.57 0.10 7.32 0.00 -1.26 0.52 107.32 111.68 3det s GLY 63 Ca 0.10 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.72 3det s GLY 63 CO -0.05 -0.69 0.90 -1.14 0.00 0.00 0.00 173.10 172.12 3det n SER 64 N -0.36 -1.29 0.00 1.64 3.41 -0.84 -4.41 113.62 111.77 3det n SER 64 Ca -0.02 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3det n SER 64 Cb 0.62 2.07 0.00 0.00 -0.26 0.00 0.00 64.21 66.64 3det n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3det n GLY 65 N -0.63 0.59 3.77 5.00 0.00 -1.26 -0.47 105.19 112.18 3det n GLY 65 Ca -0.00 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.26 3det n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3det s SER 66 N -4.00 -0.02 0.33 1.61 1.04 0.10 -4.91 113.70 107.85 3det s SER 66 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3det s SER 66 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3det s SER 66 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3det n GLY 67 N -0.67 0.21 0.03 7.32 0.00 -1.24 -1.07 105.19 109.77 3det n GLY 67 Ca -0.04 0.69 0.02 0.00 0.00 0.00 0.00 46.02 46.70 3det n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3det n THR 68 N 0.00 1.16 -3.45 2.61 5.66 -1.26 -0.20 114.28 118.79 3det n THR 68 Ca 0.00 -1.25 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 3det n THR 68 Cb 0.00 0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.09 3det n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3det s SER 69 N -1.42 -1.13 0.36 1.09 0.15 -0.23 -1.93 113.70 110.59 3det s SER 69 Ca 0.08 1.23 0.04 0.00 0.70 0.00 0.00 55.95 57.99 3det s SER 69 Cb 0.07 2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 66.49 3det s SER 69 CO 0.01 -0.24 0.13 -0.31 1.20 0.00 0.00 173.24 174.02 3det s TYR 70 N 2.85 1.76 -0.20 3.44 1.51 -0.70 -0.72 117.35 125.29 3det s TYR 70 Ca 0.05 -1.25 -0.24 0.00 -1.01 0.00 0.00 57.07 54.62 3det s TYR 70 Cb -0.13 -1.08 0.06 0.00 -0.11 0.00 0.00 41.96 40.70 3det s TYR 70 CO -0.19 -0.31 0.65 -1.54 -1.11 0.00 0.00 175.55 173.05 3det s SER 71 N -3.51 -0.67 0.08 2.29 1.04 0.38 -1.41 113.70 111.90 3det s SER 71 Ca 0.30 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 57.82 3det s SER 71 Cb 0.05 1.15 -0.05 0.00 0.10 0.00 0.00 66.02 67.26 3det s SER 71 CO 0.16 -0.31 0.36 -0.22 0.98 0.00 0.00 173.24 174.20 3det s LEU 72 N -0.02 4.33 0.02 2.42 0.20 -0.65 -1.99 118.68 122.99 3det s LEU 72 Ca -0.03 0.67 0.00 0.00 0.69 0.00 0.00 54.13 55.47 3det s LEU 72 Cb -0.04 -2.99 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 3det s LEU 72 CO 0.03 0.16 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.33 3det s THR 73 N -1.44 0.17 -0.24 3.68 2.01 0.19 -1.80 115.64 118.20 3det s THR 73 Ca 0.34 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3det s THR 73 Cb -0.13 -0.26 0.06 0.00 0.01 0.00 0.00 72.50 72.18 3det s THR 73 CO 0.19 -0.31 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.14 3det s ILE 74 N -0.98 1.54 -0.15 1.82 1.01 0.30 -1.35 121.20 123.40 3det s ILE 74 Ca -0.10 -1.27 -0.27 0.00 0.00 0.00 0.00 60.65 59.01 3det s ILE 74 Cb -0.07 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3det s ILE 74 CO -0.00 -0.14 0.89 0.21 0.00 0.00 0.00 174.94 175.90 3det s ASN 75 N 1.38 7.06 0.11 3.58 2.47 -0.39 -1.02 114.94 128.13 3det s ASN 75 Ca -0.05 1.30 0.00 0.00 0.42 0.00 0.00 52.86 54.53 3det s ASN 75 Cb -0.19 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3det s ASN 75 CO -0.07 -0.41 0.00 0.41 -3.72 0.00 0.00 177.10 173.31 3det n THR 76 N 4.65 0.00 -3.60 -5.21 -1.04 -1.25 -4.69 114.28 103.14 3det n THR 76 Ca 0.06 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3det n THR 76 Cb 0.49 -0.13 -0.04 0.00 -1.82 0.00 0.00 70.33 68.83 3det n THR 76 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3det s MET 77 N -1.23 0.57 0.86 -2.82 1.75 -1.19 -3.44 119.30 113.79 3det s MET 77 Ca 0.00 1.39 -0.14 0.00 -1.25 0.00 0.00 55.69 55.69 3det s MET 77 Cb 0.00 0.83 0.20 0.00 2.84 0.00 0.00 34.83 38.71 3det s MET 77 CO 0.00 -0.23 1.02 0.39 -0.65 0.00 0.00 175.02 175.55 3det n GLU 78 N 5.43 -1.57 0.03 4.11 -0.58 -1.26 -0.32 120.64 126.49 3det n GLU 78 Ca -0.11 -1.59 -0.06 0.00 -0.42 0.00 0.00 57.16 54.98 3det n GLU 78 Cb 0.49 -1.18 -0.04 0.00 -0.57 0.00 0.00 31.44 30.14 3det n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3det h ALA 79 N -2.07 -0.20 0.00 0.62 0.00 -1.98 -3.11 119.26 112.53 3det h ALA 79 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3det h ALA 79 Cb 0.98 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3det h ALA 79 CO 0.24 -0.20 0.17 -0.85 0.00 0.00 0.00 179.25 178.61 3det n GLU 80 N -4.89 0.00 0.14 0.00 0.28 -1.26 -0.44 120.64 114.47 3det n GLU 80 Ca -0.05 0.19 0.13 0.00 -0.16 0.00 0.00 57.16 57.27 3det n GLU 80 Cb 0.17 -1.67 0.44 0.00 1.43 0.00 0.00 31.44 31.81 3det n GLU 80 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3det h ASP 81 N 0.00 0.00 -2.70 -1.84 5.19 -1.92 -3.44 116.42 111.71 3det h ASP 81 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3det h ASP 81 Cb 0.35 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.88 3det h ASP 81 CO 0.00 0.00 0.99 0.00 -3.12 0.00 0.00 179.24 177.11 3det s ALA 82 N -3.24 3.69 0.00 3.45 0.00 0.41 -4.87 121.76 121.20 3det s ALA 82 Ca 0.07 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3det s ALA 82 Cb 0.10 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3det s ALA 82 CO 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 175.76 175.20 3det n ALA 83 N 5.47 0.00 -3.73 0.00 0.00 -0.50 -4.86 120.51 116.89 3det n ALA 83 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 3det n ALA 83 Cb 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 3det n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3det s THR 84 N -2.99 2.73 -0.26 0.00 2.01 0.11 0.23 115.64 117.47 3det s THR 84 Ca 0.00 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 3det s THR 84 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3det s THR 84 CO 0.00 0.49 0.13 -0.31 -0.69 0.00 0.00 174.62 174.24 3det s TYR 85 N 1.27 3.17 -0.20 4.92 1.51 0.42 0.03 117.35 128.47 3det s TYR 85 Ca 0.03 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 55.95 3det s TYR 85 Cb -0.14 -2.30 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 3det s TYR 85 CO -0.06 -0.22 -0.04 0.71 -1.11 0.00 0.00 175.55 174.82 3det s TYR 86 N 1.61 2.97 0.52 2.71 1.51 0.93 -1.91 117.35 125.68 3det s TYR 86 Ca 0.07 -0.72 -0.09 0.00 -1.01 0.00 0.00 57.07 55.31 3det s TYR 86 Cb -0.15 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 3det s TYR 86 CO 0.07 -0.38 0.88 0.00 -1.11 0.00 0.00 175.55 175.01 3det s GLN 88 N -4.65 0.77 0.31 0.00 -0.44 0.56 -0.34 119.66 115.87 3det s GLN 88 Ca 0.52 0.94 0.10 0.00 -2.50 0.00 0.00 55.36 54.42 3det s GLN 88 Cb -0.10 0.36 -0.05 0.00 -1.64 0.00 0.00 33.01 31.58 3det s GLN 88 CO 0.44 -0.10 -0.03 1.14 0.50 0.00 0.00 175.29 177.24 3det s GLN 89 N 0.44 2.07 0.00 1.67 1.03 -0.77 0.41 119.66 124.50 3det s GLN 89 Ca -0.01 -1.65 0.02 0.00 0.04 0.00 0.00 55.36 53.77 3det s GLN 89 Cb -0.05 -1.97 0.04 0.00 0.03 0.00 0.00 33.01 31.06 3det s GLN 89 CO -0.00 0.24 0.79 1.87 -2.54 0.00 0.00 175.29 175.65 3det n TRP 90 N -0.88 0.00 0.21 9.60 -0.00 -1.26 -2.51 117.44 122.60 3det n TRP 90 Ca -0.05 -0.21 0.06 0.00 -0.00 0.00 0.00 57.50 57.30 3det n TRP 90 Cb 0.61 0.25 0.47 0.00 -0.00 0.00 0.00 31.31 32.64 3det n TRP 90 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3det h SER 91 N 0.09 0.00 -4.47 5.87 4.64 -1.92 -3.43 113.55 114.33 3det h SER 91 Ca -0.21 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.71 3det h SER 91 Cb 1.27 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.14 3det h SER 91 CO -0.08 0.28 -0.78 -0.44 -0.87 0.00 0.00 176.83 174.94 3det s SER 92 N -6.69 1.55 -0.11 4.97 0.01 -1.26 -4.95 113.70 107.22 3det s SER 92 Ca -0.03 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 3det s SER 92 Cb 0.14 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3det s SER 92 CO 0.68 -0.07 0.04 -2.28 0.41 0.00 0.00 173.24 172.03 3det s HIS 93 N -1.18 3.27 0.47 2.43 2.46 -1.26 -3.50 115.29 117.99 3det s HIS 93 Ca -0.02 0.23 -0.04 0.00 0.47 0.00 0.00 55.06 55.70 3det s HIS 93 Cb -0.09 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.45 3det s HIS 93 CO 0.02 0.45 0.75 -1.25 -2.47 0.00 0.00 174.74 172.24 3det s PRO 94 N -0.64 3.39 0.83 2.88 0.04 -1.26 -4.92 135.00 135.32 3det s PRO 94 Ca 0.11 0.00 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 3det s PRO 94 Cb -0.12 -2.43 0.09 0.00 0.04 0.00 0.00 34.50 32.09 3det s PRO 94 CO 0.02 -0.22 1.14 1.14 0.04 0.00 0.00 177.00 179.12 3det s GLN 95 N -4.68 1.68 0.11 4.56 0.00 -1.23 -4.61 119.66 115.49 3det s GLN 95 Ca 0.47 1.45 -0.04 0.00 -0.00 0.00 0.00 55.36 57.25 3det s GLN 95 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 33.01 31.07 3det s GLN 95 CO 0.43 -2.12 0.10 0.95 0.00 0.00 0.00 175.29 174.64 3det s THR 96 N -2.61 0.13 0.30 3.63 -4.23 -1.04 -5.00 115.64 106.81 3det s THR 96 Ca 0.66 -1.67 0.11 0.00 -1.18 0.00 0.00 61.69 59.61 3det s THR 96 Cb -0.22 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 3det s THR 96 CO 0.54 -0.60 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.52 3det s PHE 97 N -3.97 2.36 0.66 3.99 0.08 -1.26 -1.85 117.98 117.98 3det s PHE 97 Ca 0.16 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 3det s PHE 97 Cb 0.06 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 3det s PHE 97 CO -0.03 0.66 1.05 0.20 -0.10 0.00 0.00 175.22 177.00 3det s GLY 98 N -3.56 1.64 0.00 4.36 0.00 0.54 -4.06 107.32 106.24 3det s GLY 98 Ca 0.31 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.90 3det s GLY 98 CO 0.16 0.09 1.14 0.61 0.00 0.00 0.00 173.10 175.10 3det n GLY 99 N -2.85 -0.56 0.00 0.20 0.00 -1.24 -4.75 105.19 95.99 3det n GLY 99 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3det n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3det n GLY 100 N -0.56 -0.63 2.92 -0.02 0.00 -1.26 -5.02 105.19 100.61 3det n GLY 100 Ca 0.04 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 3det n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3det s THR 101 N -3.07 0.40 -0.29 2.61 2.01 -0.81 -4.70 115.64 111.79 3det s THR 101 Ca 0.00 -0.14 -0.07 0.00 0.31 0.00 0.00 61.69 61.79 3det s THR 101 Cb 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.13 3det s THR 101 CO 0.00 0.15 0.08 -0.75 -0.69 0.00 0.00 174.62 173.41 3det s LYS 102 N 0.34 3.16 -0.45 4.92 2.20 -0.88 -0.44 119.74 128.59 3det s LYS 102 Ca -0.04 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.60 3det s LYS 102 Cb -0.07 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3det s LYS 102 CO -0.00 -0.41 0.41 -1.17 -0.36 0.00 0.00 175.35 173.81 3det s LEU 103 N 1.51 5.30 -0.10 5.43 2.96 0.64 -1.51 118.68 132.91 3det s LEU 103 Ca 0.03 -1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 52.86 3det s LEU 103 Cb -0.17 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3det s LEU 103 CO 0.02 -0.62 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.77 3det s GLU 104 N 1.85 3.08 -0.77 1.98 2.02 0.94 -1.40 118.70 126.41 3det s GLU 104 Ca 0.07 -0.53 -0.26 0.00 0.02 0.00 0.00 54.97 54.27 3det s GLU 104 Cb -0.21 -2.71 -0.11 0.00 0.10 0.00 0.00 34.13 31.20 3det s GLU 104 CO 0.09 0.52 2.31 0.42 0.02 0.00 0.00 175.26 178.62 3det s ILE 105 N -0.41 3.10 0.68 -1.63 1.01 -1.26 -2.57 121.20 120.12 3det s ILE 105 Ca 0.06 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3det s ILE 105 Cb -0.12 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3det s ILE 105 CO 0.02 -0.21 0.96 -0.11 0.00 0.00 0.00 174.94 175.60 3det n LEU 106 N 17.32 3.58 0.00 2.97 0.00 -1.14 -4.89 117.00 134.84 3det n LEU 106 Ca 0.43 0.72 -0.05 0.00 0.00 0.00 0.00 56.01 57.11 3det n LEU 106 Cb 0.46 -1.40 0.01 0.00 0.00 0.00 0.00 43.42 42.49 3det n LEU 106 CO 0.58 -1.99 0.27 -2.11 0.00 0.00 0.00 177.39 174.14 3det n ARG 107 N -1.52 0.59 -2.12 1.96 1.85 -1.26 -4.44 116.66 111.71 3det n ARG 107 Ca 0.13 -1.26 -0.41 0.00 -1.00 0.00 0.00 57.85 55.31 3det n ARG 107 Cb 0.49 1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 33.39 3det n ARG 107 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3det s ALA 108 N -1.67 3.57 0.53 2.89 0.00 -1.26 -5.00 121.76 120.82 3det s ALA 108 Ca 0.10 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 3det s ALA 108 Cb -0.02 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 3det s ALA 108 CO 0.07 -0.63 0.48 -0.25 0.00 0.00 0.00 175.76 175.43 3det n ASP 109 N 2.39 -1.20 -3.76 0.00 9.92 -1.26 -4.79 116.55 117.85 3det n ASP 109 Ca 0.06 0.77 -0.13 0.00 -0.53 0.00 0.00 54.79 54.96 3det n ASP 109 Cb 0.42 -1.13 -0.13 0.00 -0.64 0.00 0.00 41.12 39.63 3det n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3det s ALA 110 N -1.69 -0.44 0.16 2.24 0.00 -0.93 -4.89 121.76 116.22 3det s ALA 110 Ca 0.66 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 53.15 3det s ALA 110 Cb -0.48 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 3det s ALA 110 CO 0.56 -0.16 0.76 0.00 0.00 0.00 0.00 175.76 176.92 3det s ALA 111 N 0.92 3.46 0.03 0.00 0.00 -1.26 -1.44 121.76 123.47 3det s ALA 111 Ca -0.07 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3det s ALA 111 Cb -0.08 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 3det s ALA 111 CO -0.05 0.30 1.45 -1.25 0.00 0.00 0.00 175.76 176.21 3det s PRO 112 N -1.18 4.27 -0.62 0.00 0.04 -1.26 -4.71 135.00 131.53 3det s PRO 112 Ca 0.35 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.18 3det s PRO 112 Cb -0.23 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 3det s PRO 112 CO 0.25 -0.58 1.73 0.99 0.04 0.00 0.00 177.00 179.43 3det s THR 113 N 2.24 3.44 -0.10 1.26 2.01 -0.84 -4.80 115.64 118.86 3det s THR 113 Ca 0.66 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.71 3det s THR 113 Cb -0.34 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 3det s THR 113 CO 0.28 -1.08 0.65 -0.69 -0.69 0.00 0.00 174.62 173.09 3det s VAL 114 N 8.26 5.06 -0.03 3.82 1.01 -1.26 -2.25 120.40 135.02 3det s VAL 114 Ca 0.61 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.95 3det s VAL 114 Cb -0.12 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3det s VAL 114 CO 0.20 0.23 -0.14 -0.44 0.00 0.00 0.00 175.10 174.96 3det s SER 115 N 0.84 1.69 -0.02 3.32 0.01 -0.29 -4.91 113.70 114.34 3det s SER 115 Ca 0.34 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.39 3det s SER 115 Cb -0.17 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 3det s SER 115 CO 0.15 0.14 -0.19 -0.51 0.41 0.00 0.00 173.24 173.24 3det s ILE 116 N -0.06 1.47 -0.02 1.44 2.07 -1.26 0.03 121.20 124.88 3det s ILE 116 Ca 0.00 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 3det s ILE 116 Cb -0.08 -1.23 0.01 0.00 0.13 0.00 0.00 42.46 41.28 3det s ILE 116 CO 0.01 0.42 -0.04 -0.36 -1.91 0.00 0.00 174.94 173.05 3det s PHE 117 N -0.37 0.49 0.61 3.50 0.40 -0.64 -5.01 117.98 116.96 3det s PHE 117 Ca 0.06 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 3det s PHE 117 Cb -0.08 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.06 3det s PHE 117 CO -0.00 -0.07 0.94 -2.14 0.70 0.00 0.00 175.22 174.65 3det s PRO 118 N 0.34 2.94 0.31 0.24 0.02 -1.26 -2.56 135.00 135.02 3det s PRO 118 Ca -0.04 0.12 -0.29 0.00 0.02 0.00 0.00 61.00 60.81 3det s PRO 118 Cb -0.07 -2.22 -0.13 0.00 0.02 0.00 0.00 34.50 32.11 3det s PRO 118 CO -0.00 -0.76 1.36 -2.30 -0.33 0.00 0.00 177.00 174.96 3det n PRO 119 N -2.67 2.15 -1.57 5.54 -0.02 -1.19 -4.81 135.00 132.44 3det n PRO 119 Ca 0.05 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 3det n PRO 119 Cb 0.57 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.74 3det n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3det s SER 120 N -0.05 4.57 0.48 2.55 1.04 -1.26 -4.88 113.70 116.15 3det s SER 120 Ca 0.60 2.22 0.24 0.00 0.48 0.00 0.00 55.95 59.49 3det s SER 120 Cb -0.59 -2.57 1.20 0.00 0.10 0.00 0.00 66.02 64.16 3det s SER 120 CO 0.57 -2.01 1.98 0.77 0.98 0.00 0.00 173.24 175.53 3det h SER 121 N -0.14 0.00 -0.46 7.02 4.64 -2.00 -1.52 113.55 121.10 3det h SER 121 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3det h SER 121 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3det h SER 121 CO 0.51 0.19 0.11 -0.33 -0.87 0.00 0.00 176.83 176.44 3det h GLU 122 N 0.00 0.81 -0.07 4.77 3.07 -1.97 -2.96 114.58 118.23 3det h GLU 122 Ca -0.00 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.55 3det h GLU 122 Cb 0.48 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3det h GLU 122 CO 0.02 0.74 -0.52 0.37 -1.40 0.00 0.00 179.01 178.22 3det h GLN 123 N 0.78 0.47 -0.29 2.33 4.15 -1.60 -3.23 115.11 117.72 3det h GLN 123 Ca 0.17 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3det h GLN 123 Cb 0.31 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3det h GLN 123 CO 0.00 1.06 0.18 -0.07 -1.93 0.00 0.00 178.83 178.07 3det h LEU 124 N 0.03 0.33 -1.71 -2.39 3.38 -1.40 -1.04 115.31 112.52 3det h LEU 124 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3det h LEU 124 Cb 1.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3det h LEU 124 CO 0.11 0.25 0.00 0.41 0.09 0.00 0.00 178.44 179.30 3det n THR 125 N -4.49 0.59 -0.49 0.22 -1.04 -1.12 -1.54 114.28 106.43 3det n THR 125 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3det n THR 125 Cb 0.07 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 3det n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3det n SER 126 N 0.44 0.00 0.00 8.00 7.64 -0.41 -5.03 113.62 124.25 3det n SER 126 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3det n SER 126 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3det n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3det n GLY 127 N 0.00 0.93 3.38 0.23 0.00 -0.59 -5.06 105.19 104.08 3det n GLY 127 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3det n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3det s GLY 128 N -2.10 1.55 -0.35 -0.02 0.00 -1.18 -2.52 107.32 102.69 3det s GLY 128 Ca 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 3det s GLY 128 CO 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 173.10 171.84 3det s ALA 129 N -1.13 1.20 -0.17 3.20 0.00 0.29 -3.20 121.76 121.95 3det s ALA 129 Ca 0.14 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 3det s ALA 129 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 3det s ALA 129 CO 0.06 -1.94 0.48 -1.12 0.00 0.00 0.00 175.76 173.25 3det s SER 130 N 1.23 6.58 -0.41 0.00 0.01 -1.26 -0.28 113.70 119.56 3det s SER 130 Ca 0.15 0.69 -0.09 0.00 1.31 0.00 0.00 55.95 58.00 3det s SER 130 Cb -0.21 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 63.81 3det s SER 130 CO -0.11 -0.11 0.25 -0.69 0.41 0.00 0.00 173.24 173.00 3det s VAL 131 N 1.26 4.27 0.02 3.43 1.01 0.36 -3.14 120.40 127.61 3det s VAL 131 Ca 0.24 -1.33 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3det s VAL 131 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3det s VAL 131 CO 0.09 -0.47 0.65 -0.69 0.00 0.00 0.00 175.10 174.68 3det s VAL 132 N 1.44 4.84 -0.06 2.92 1.01 -1.06 -1.26 120.40 128.23 3det s VAL 132 Ca 0.03 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.38 3det s VAL 132 Cb -0.22 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.19 3det s VAL 132 CO 0.03 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.47 3det s PHE 134 N 1.03 2.97 -0.36 0.00 0.08 0.10 -0.05 117.98 121.76 3det s PHE 134 Ca -0.09 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 56.43 3det s PHE 134 Cb -0.14 -2.01 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 3det s PHE 134 CO -0.00 -0.26 0.07 -0.51 -0.10 0.00 0.00 175.22 174.42 3det s LEU 135 N 0.84 4.73 -0.10 -0.37 1.43 0.47 -1.14 118.68 124.54 3det s LEU 135 Ca -0.01 -2.24 0.00 0.00 -1.03 0.00 0.00 54.13 50.85 3det s LEU 135 Cb -0.15 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3det s LEU 135 CO 0.01 -0.37 -0.10 0.20 0.23 0.00 0.00 176.35 176.33 3det s ASN 136 N 0.79 4.34 -0.61 2.29 0.02 -0.95 -1.27 114.94 119.54 3det s ASN 136 Ca 0.12 -0.17 -0.05 0.00 -1.02 0.00 0.00 52.86 51.73 3det s ASN 136 Cb -0.20 -1.35 0.01 0.00 0.02 0.00 0.00 41.25 39.73 3det s ASN 136 CO -0.07 0.26 0.63 0.59 0.02 0.00 0.00 177.10 178.53 3det n ASN 137 N 2.88 -7.56 -4.04 -1.22 3.02 0.59 -1.99 115.26 106.94 3det n ASN 137 Ca -0.18 0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 3det n ASN 137 Cb 0.53 -5.13 -0.11 0.00 -0.61 0.00 0.00 39.78 34.46 3det n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3det s PHE 138 N -2.85 0.49 -0.17 3.10 -0.12 -0.77 -4.42 117.98 113.23 3det s PHE 138 Ca 0.08 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 3det s PHE 138 Cb -0.02 -0.32 0.05 0.00 -0.63 0.00 0.00 43.02 42.10 3det s PHE 138 CO 0.72 -0.18 0.42 -0.47 -0.05 0.00 0.00 175.22 175.67 3det s TYR 139 N -1.96 -0.56 0.43 3.49 6.14 -0.52 -1.63 117.35 122.74 3det s TYR 139 Ca -0.08 1.25 -0.07 0.00 0.64 0.00 0.00 57.07 58.80 3det s TYR 139 Cb -0.06 0.23 0.11 0.00 0.42 0.00 0.00 41.96 42.66 3det s TYR 139 CO -0.02 -0.30 0.37 -0.35 0.64 0.00 0.00 175.55 175.89 3det n PRO 140 N 3.66 -1.89 -0.00 4.97 -0.04 -1.26 -2.18 135.00 138.25 3det n PRO 140 Ca -0.19 -0.59 -0.17 0.00 -0.04 0.00 0.00 63.50 62.52 3det n PRO 140 Cb 0.56 -0.57 -0.06 0.00 -0.04 0.00 0.00 33.50 33.39 3det n PRO 140 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3det h LYS 141 N 0.00 0.73 -6.16 0.54 2.10 -1.99 -3.45 116.57 108.34 3det h LYS 141 Ca -0.14 -0.62 -0.71 0.00 -2.00 0.00 0.00 60.65 57.18 3det h LYS 141 Cb 0.43 0.14 0.06 0.00 -0.90 0.00 0.00 32.23 31.96 3det h LYS 141 CO 0.09 1.22 0.21 -0.25 -2.00 0.00 0.00 179.45 178.72 3det n ASP 142 N -3.91 0.77 -3.49 7.07 8.00 -1.26 -4.96 116.55 118.77 3det n ASP 142 Ca -0.07 1.14 -0.10 0.00 0.71 0.00 0.00 54.79 56.47 3det n ASP 142 Cb 0.76 -1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 3det n ASP 142 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3det s ILE 143 N 0.08 0.00 -0.07 0.53 2.07 -1.26 -4.52 121.20 118.03 3det s ILE 143 Ca 0.83 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.10 3det s ILE 143 Cb -1.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.55 3det s ILE 143 CO 0.52 0.00 -0.13 0.20 -1.91 0.00 0.00 174.94 173.62 3det s ASN 144 N -2.38 1.90 0.06 4.50 0.01 0.34 -4.95 114.94 114.41 3det s ASN 144 Ca 0.03 -0.32 0.02 0.00 -0.71 0.00 0.00 52.86 51.88 3det s ASN 144 Cb -0.01 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 3det s ASN 144 CO -0.08 0.04 0.06 0.54 -1.51 0.00 0.00 177.10 176.15 3det s VAL 145 N 0.66 4.45 -0.10 1.60 0.11 -1.26 0.14 120.40 125.99 3det s VAL 145 Ca -0.15 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.13 3det s VAL 145 Cb -0.16 -3.10 0.04 0.00 -1.53 0.00 0.00 36.38 31.63 3det s VAL 145 CO 0.04 0.19 0.24 -0.75 -3.33 0.00 0.00 175.10 171.50 3det s LYS 146 N -2.16 0.22 0.01 1.54 2.20 -0.56 -4.99 119.74 116.01 3det s LYS 146 Ca 0.26 0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 56.34 3det s LYS 146 Cb -0.12 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 3det s LYS 146 CO 0.19 -0.13 0.18 -1.58 -0.36 0.00 0.00 175.35 173.64 3det s TRP 147 N 1.01 3.50 -0.14 4.03 0.52 -1.26 0.22 118.94 126.83 3det s TRP 147 Ca -0.07 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.33 3det s TRP 147 Cb -0.08 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 3det s TRP 147 CO -0.07 0.62 0.01 0.15 0.02 0.00 0.00 176.95 177.68 3det s LYS 148 N -2.07 0.72 -0.31 4.98 1.02 0.31 -2.30 119.74 122.08 3det s LYS 148 Ca 0.29 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.92 3det s LYS 148 Cb -0.13 -1.61 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 3det s LYS 148 CO 0.21 -0.47 0.42 0.42 -0.92 0.00 0.00 175.35 175.01 3det s ILE 149 N 1.89 5.12 -1.22 2.17 1.01 0.15 0.41 121.20 130.72 3det s ILE 149 Ca 0.02 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 3det s ILE 149 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3det s ILE 149 CO -0.07 -0.03 0.71 0.47 0.00 0.00 0.00 174.94 176.02 3det n ASP 150 N 5.48 -3.63 0.00 3.58 10.43 0.91 -0.73 116.55 132.60 3det n ASP 150 Ca -0.07 -0.96 0.00 0.00 2.57 0.00 0.00 54.79 56.33 3det n ASP 150 Cb 0.50 -3.57 0.00 0.00 1.84 0.00 0.00 41.12 39.89 3det n ASP 150 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3det n GLY 151 N -1.69 0.00 3.76 0.44 0.00 -1.26 -4.96 105.19 101.48 3det n GLY 151 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3det n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3det s SER 152 N -1.61 5.59 0.57 1.61 0.15 0.09 -5.00 113.70 115.10 3det s SER 152 Ca 0.00 0.15 -0.19 0.00 0.70 0.00 0.00 55.95 56.61 3det s SER 152 Cb 0.00 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 3det s SER 152 CO 0.00 0.30 1.15 -0.70 1.20 0.00 0.00 173.24 175.19 3det s GLU 153 N -1.53 3.19 -0.04 5.44 2.12 -1.26 0.32 118.70 126.94 3det s GLU 153 Ca 0.20 1.64 -0.03 0.00 0.36 0.00 0.00 54.97 57.14 3det s GLU 153 Cb -0.12 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.31 3det s GLU 153 CO 0.11 -0.98 0.10 0.50 -0.54 0.00 0.00 175.26 174.45 3det s ARG 154 N -3.38 0.11 0.00 4.30 6.06 -0.97 -4.80 118.95 120.27 3det s ARG 154 Ca 0.73 0.16 0.00 0.00 -2.50 0.00 0.00 55.73 54.13 3det s ARG 154 Cb -0.25 0.03 0.00 0.00 0.06 0.00 0.00 34.95 34.79 3det s ARG 154 CO 0.30 -0.03 0.07 1.04 -2.50 0.00 0.00 175.30 174.17 3det n GLN 155 N 3.17 1.89 -2.85 5.12 6.02 -1.26 -4.37 117.38 125.10 3det n GLN 155 Ca -0.14 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 3det n GLN 155 Cb 0.58 -0.37 -0.06 0.00 1.02 0.00 0.00 30.24 31.41 3det n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3det s ASN 156 N -0.29 7.35 -0.72 1.08 -0.87 -1.26 -4.27 114.94 115.96 3det s ASN 156 Ca 0.00 1.76 0.00 0.00 -1.57 0.00 0.00 52.86 53.05 3det s ASN 156 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3det s ASN 156 CO 0.00 0.02 0.00 0.61 -2.57 0.00 0.00 177.10 175.16 3det n GLY 157 N 0.86 0.80 3.68 0.66 0.00 -1.26 -4.82 105.19 105.12 3det n GLY 157 Ca -0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3det n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3det s VAL 158 N -1.93 5.04 -0.04 1.61 1.01 -1.26 -0.95 120.40 123.87 3det s VAL 158 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.28 3det s VAL 158 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3det s VAL 158 CO 0.00 0.17 -0.13 -0.76 0.00 0.00 0.00 175.10 174.38 3det s LEU 159 N 1.47 1.81 0.08 3.92 1.43 -0.62 -4.98 118.68 121.79 3det s LEU 159 Ca 0.32 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3det s LEU 159 Cb -0.16 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 3det s LEU 159 CO 0.13 0.10 -0.26 0.20 0.23 0.00 0.00 176.35 176.74 3det s ASN 160 N 0.22 3.15 -0.28 2.29 0.01 -1.26 -0.31 114.94 118.77 3det s ASN 160 Ca -0.06 -0.65 -0.06 0.00 -0.71 0.00 0.00 52.86 51.39 3det s ASN 160 Cb -0.11 -0.25 0.14 0.00 0.41 0.00 0.00 41.25 41.44 3det s ASN 160 CO 0.02 0.22 0.56 -0.55 -1.51 0.00 0.00 177.10 175.84 3det s SER 161 N -1.56 -0.93 -0.08 -1.22 0.15 -0.34 -4.96 113.70 104.77 3det s SER 161 Ca 0.12 1.09 -0.05 0.00 0.70 0.00 0.00 55.95 57.81 3det s SER 161 Cb -0.10 1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 66.14 3det s SER 161 CO 0.04 -0.24 0.16 0.26 1.20 0.00 0.00 173.24 174.65 3det s TRP 162 N 2.80 3.58 0.75 3.44 0.51 -1.26 -0.19 118.94 128.57 3det s TRP 162 Ca 0.06 0.46 -0.11 0.00 -2.12 0.00 0.00 56.10 54.39 3det s TRP 162 Cb -0.13 -1.90 0.04 0.00 -0.81 0.00 0.00 33.47 30.67 3det s TRP 162 CO -0.18 0.70 1.08 0.95 -0.51 0.00 0.00 176.95 178.99 3det s THR 163 N -1.15 3.50 0.66 2.01 -4.23 -0.31 -4.96 115.64 111.17 3det s THR 163 Ca 0.20 0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 3det s THR 163 Cb -0.12 -3.26 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 3det s THR 163 CO 0.10 -0.64 1.06 -1.81 -0.54 0.00 0.00 174.62 172.80 3det s ASP 164 N -3.90 5.82 0.58 3.99 -0.00 -1.26 -4.56 116.67 117.34 3det s ASP 164 Ca 0.59 1.27 -0.18 0.00 -0.00 0.00 0.00 52.55 54.24 3det s ASP 164 Cb -0.14 -2.19 -0.08 0.00 -0.00 0.00 0.00 42.92 40.51 3det s ASP 164 CO 0.54 -1.11 0.57 1.67 -0.00 0.00 0.00 175.17 176.84 3det n GLN 165 N -2.88 0.54 -3.51 8.23 7.27 -1.26 -4.86 117.38 120.90 3det n GLN 165 Ca 0.06 0.21 -0.38 0.00 0.07 0.00 0.00 57.00 56.97 3det n GLN 165 Cb 0.56 -1.76 -0.06 0.00 2.41 0.00 0.00 30.24 31.39 3det n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3det s ASP 166 N -1.20 6.77 -0.18 1.69 2.15 -0.56 -4.90 116.67 120.44 3det s ASP 166 Ca 0.69 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.58 3det s ASP 166 Cb -0.44 -2.24 0.16 0.00 -0.30 0.00 0.00 42.92 40.10 3det s ASP 166 CO 0.54 0.30 1.76 -1.54 -0.17 0.00 0.00 175.17 176.06 3det n SER 167 N 2.00 5.10 0.00 -0.34 3.41 -1.26 0.13 113.62 122.67 3det n SER 167 Ca -0.14 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 3det n SER 167 Cb 0.52 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3det n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3det n LYS 168 N 0.51 3.08 0.00 4.33 4.76 -1.26 -4.91 118.16 124.67 3det n LYS 168 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3det n LYS 168 Cb 0.65 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 3det n LYS 168 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3det n ASP 169 N 0.00 1.12 -2.36 4.39 8.00 -1.19 -5.00 116.55 121.53 3det n ASP 169 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 3det n ASP 169 Cb 0.00 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 3det n ASP 169 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3det n SER 170 N -0.73 -5.93 -4.96 -2.24 7.64 0.35 -4.93 113.62 102.82 3det n SER 170 Ca 0.00 0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.66 3det n SER 170 Cb 0.09 -4.95 -0.02 0.00 -1.01 0.00 0.00 64.21 58.32 3det n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3det s THR 171 N -3.03 5.21 0.62 0.44 -4.23 -1.26 -4.60 115.64 108.79 3det s THR 171 Ca 0.00 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 3det s THR 171 Cb 0.00 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 70.08 3det s THR 171 CO 0.00 -0.37 0.86 -0.31 -0.54 0.00 0.00 174.62 174.26 3det s TYR 172 N -2.05 2.09 0.09 3.99 1.51 -0.65 -1.49 117.35 120.83 3det s TYR 172 Ca 0.36 -0.25 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 3det s TYR 172 Cb -0.09 -2.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.02 3det s TYR 172 CO 0.31 -1.25 0.34 -1.12 -1.11 0.00 0.00 175.55 172.71 3det s SER 173 N -4.59 -0.15 0.00 2.29 0.01 -1.26 -0.30 113.70 109.70 3det s SER 173 Ca 0.62 -0.31 -0.24 0.00 1.31 0.00 0.00 55.95 57.33 3det s SER 173 Cb -0.07 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.62 3det s SER 173 CO 0.41 -0.75 0.53 -0.32 0.41 0.00 0.00 173.24 173.51 3det s MET 174 N -3.37 0.97 0.02 12.44 1.75 -0.40 -1.16 119.30 129.55 3det s MET 174 Ca 0.01 -0.07 0.04 0.00 -1.25 0.00 0.00 55.69 54.42 3det s MET 174 Cb 0.02 0.44 -0.02 0.00 2.84 0.00 0.00 34.83 38.11 3det s MET 174 CO -0.09 -0.32 -0.14 -1.54 -0.65 0.00 0.00 175.02 172.29 3det s SER 175 N -1.59 1.59 -0.18 1.11 1.04 0.74 -0.39 113.70 116.01 3det s SER 175 Ca -0.09 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3det s SER 175 Cb -0.01 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.01 3det s SER 175 CO 0.03 0.07 -0.17 -0.55 0.98 0.00 0.00 173.24 173.60 3det s SER 176 N -0.87 3.19 -0.26 7.02 0.15 0.93 -1.20 113.70 122.67 3det s SER 176 Ca 0.02 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.91 3det s SER 176 Cb -0.07 -1.41 -0.00 0.00 -1.71 0.00 0.00 66.02 62.83 3det s SER 176 CO 0.01 -0.04 0.02 -0.89 1.20 0.00 0.00 173.24 173.54 3det s THR 177 N 1.32 3.69 -0.43 6.45 2.01 0.58 0.22 115.64 129.47 3det s THR 177 Ca 0.03 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 3det s THR 177 Cb -0.14 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.60 3det s THR 177 CO -0.11 0.25 0.42 -0.22 -0.69 0.00 0.00 174.62 174.26 3det s LEU 178 N 1.49 5.03 -0.17 4.42 2.96 -0.39 -1.59 118.68 130.43 3det s LEU 178 Ca 0.04 -0.83 -0.07 0.00 -0.22 0.00 0.00 54.13 53.04 3det s LEU 178 Cb -0.16 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3det s LEU 178 CO -0.00 -0.59 0.08 -0.89 -1.32 0.00 0.00 176.35 173.63 3det s THR 179 N 2.01 4.93 0.32 3.68 2.01 -0.13 0.14 115.64 128.59 3det s THR 179 Ca 0.10 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.13 3det s THR 179 Cb -0.19 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3det s THR 179 CO 0.12 0.49 0.11 -0.76 -0.69 0.00 0.00 174.62 173.88 3det s LEU 180 N 0.12 1.86 0.52 4.42 1.43 0.61 -4.71 118.68 122.92 3det s LEU 180 Ca 0.06 -1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 3det s LEU 180 Cb -0.12 -0.07 -0.07 0.00 0.03 0.00 0.00 46.19 45.95 3det s LEU 180 CO 0.00 -0.77 1.01 0.42 0.23 0.00 0.00 176.35 177.24 3det s THR 181 N -3.49 4.21 0.37 5.49 -4.23 -1.26 -0.55 115.64 116.18 3det s THR 181 Ca 0.34 1.15 0.07 0.00 -1.18 0.00 0.00 61.69 62.07 3det s THR 181 Cb 0.06 -3.57 0.18 0.00 1.34 0.00 0.00 72.50 70.51 3det s THR 181 CO 0.15 -0.52 1.92 0.50 -0.54 0.00 0.00 174.62 176.14 3det h LYS 182 N 1.04 0.43 -0.06 3.99 3.64 -1.76 -1.36 116.57 122.50 3det h LYS 182 Ca -0.48 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 3det h LYS 182 Cb 1.20 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3det h LYS 182 CO 0.60 0.46 0.00 -0.44 -2.27 0.00 0.00 179.45 177.80 3det h ASP 183 N 0.42 0.09 -0.26 4.20 3.45 -1.93 -2.53 116.42 119.87 3det h ASP 183 Ca 0.10 -0.29 0.06 0.00 0.43 0.00 0.00 57.03 57.33 3det h ASP 183 Cb 0.27 -0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 38.95 3det h ASP 183 CO 0.01 0.36 -0.18 -0.08 -1.57 0.00 0.00 179.24 177.78 3det h GLU 184 N -0.18 -0.15 -0.62 3.56 4.57 -1.86 -2.79 114.58 117.11 3det h GLU 184 Ca 0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3det h GLU 184 Cb 0.31 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3det h GLU 184 CO 0.00 -0.10 0.32 -0.92 -1.18 0.00 0.00 179.01 177.12 3det h TYR 185 N -0.16 0.87 0.00 0.92 3.20 -1.21 -2.23 116.97 118.36 3det h TYR 185 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3det h TYR 185 Cb 0.38 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3det h TYR 185 CO -0.35 0.65 0.00 0.39 -1.64 0.00 0.00 178.16 177.20 3det n GLU 186 N -4.53 0.07 -0.52 1.82 1.02 -0.96 -2.30 120.64 115.24 3det n GLU 186 Ca 0.04 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.54 3det n GLU 186 Cb 0.11 -1.64 0.25 0.00 -0.02 0.00 0.00 31.44 30.14 3det n GLU 186 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3det n ARG 187 N -1.77 3.28 -4.31 3.49 1.85 -0.84 -4.87 116.66 113.48 3det n ARG 187 Ca 0.03 -1.96 -0.18 0.00 -1.00 0.00 0.00 57.85 54.75 3det n ARG 187 Cb 0.20 -1.90 -0.09 0.00 -1.05 0.00 0.00 32.46 29.61 3det n ARG 187 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3det s HIS 188 N -2.01 1.55 0.00 2.89 3.76 -0.97 -5.11 115.29 115.39 3det s HIS 188 Ca 0.34 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 3det s HIS 188 Cb 0.25 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 33.12 3det s HIS 188 CO 0.12 -0.53 0.00 -1.71 -0.85 0.00 0.00 174.74 171.77 3det n ASN 189 N -0.82 0.01 -4.65 1.40 4.05 -1.26 -4.86 115.26 109.13 3det n ASN 189 Ca 0.01 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.63 3det n ASN 189 Cb 0.65 -0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.61 3det n ASN 189 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3det s SER 190 N -5.01 6.83 -0.16 1.20 0.15 -1.26 -0.12 113.70 115.33 3det s SER 190 Ca 0.00 1.03 0.01 0.00 0.70 0.00 0.00 55.95 57.68 3det s SER 190 Cb 0.00 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3det s SER 190 CO 0.00 -0.45 -0.14 -0.31 1.20 0.00 0.00 173.24 173.54 3det s TYR 191 N 2.54 2.30 0.11 3.44 1.51 -0.60 0.31 117.35 126.96 3det s TYR 191 Ca 0.34 -1.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.12 3det s TYR 191 Cb -0.16 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3det s TYR 191 CO 0.09 -0.70 -0.18 0.95 -1.11 0.00 0.00 175.55 174.60 3det s THR 192 N 1.44 1.53 -0.27 -0.71 -4.23 0.16 -1.52 115.64 112.05 3det s THR 192 Ca 0.03 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3det s THR 192 Cb -0.14 -1.48 0.08 0.00 1.34 0.00 0.00 72.50 72.30 3det s THR 192 CO -0.10 -0.19 0.03 0.00 -0.54 0.00 0.00 174.62 173.82 3det s GLU 194 N 1.46 2.99 -0.20 0.00 2.02 0.13 -1.70 118.70 123.41 3det s GLU 194 Ca 0.03 -1.18 -0.21 0.00 0.02 0.00 0.00 54.97 53.63 3det s GLU 194 Cb -0.18 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.95 3det s GLU 194 CO -0.14 -0.94 0.62 0.00 0.02 0.00 0.00 175.26 174.83 3det s ALA 195 N 1.74 3.54 -0.26 5.21 0.00 -0.59 -1.49 121.76 129.91 3det s ALA 195 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3det s ALA 195 Cb -0.22 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3det s ALA 195 CO 0.08 -0.56 -0.03 0.99 0.00 0.00 0.00 175.76 176.25 3det s THR 196 N 1.91 3.14 0.06 0.00 2.01 0.36 -1.80 115.64 121.32 3det s THR 196 Ca 0.28 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.40 3det s THR 196 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3det s THR 196 CO 0.10 0.18 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.81 3det s HIS 197 N 1.37 1.05 0.45 4.92 2.46 -1.26 -0.50 115.29 123.78 3det s HIS 197 Ca 0.01 -0.45 0.35 0.00 0.47 0.00 0.00 55.06 55.44 3det s HIS 197 Cb -0.17 -0.60 1.52 0.00 -0.13 0.00 0.00 32.58 33.20 3det s HIS 197 CO -0.03 0.02 1.55 1.17 -2.47 0.00 0.00 174.74 174.98 3det n LYS 198 N 1.45 -0.03 0.00 2.88 4.81 -1.26 -1.10 118.16 124.90 3det n LYS 198 Ca -0.21 1.22 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 3det n LYS 198 Cb 0.54 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.13 3det n LYS 198 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3det n THR 199 N -4.60 0.00 -3.61 3.15 -2.24 -1.26 -4.76 114.28 100.96 3det n THR 199 Ca 0.41 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.17 3det n THR 199 Cb 1.62 -0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3det n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3det s SER 200 N -1.97 -0.09 0.00 3.42 0.15 -0.26 -4.96 113.70 110.00 3det s SER 200 Ca 0.00 -0.04 0.22 0.00 0.70 0.00 0.00 55.95 56.83 3det s SER 200 Cb 0.00 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 3det s SER 200 CO 0.00 -0.22 1.02 0.35 1.20 0.00 0.00 173.24 175.59 3det n THR 201 N -0.23 0.01 -4.00 6.45 -2.24 -1.26 -4.59 114.28 108.41 3det n THR 201 Ca -0.02 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 3det n THR 201 Cb 0.60 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 3det n THR 201 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3det s SER 202 N -3.08 4.20 0.81 3.42 1.04 -1.26 -5.10 113.70 113.74 3det s SER 202 Ca 0.08 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.39 3det s SER 202 Cb 0.16 -1.62 0.03 0.00 0.10 0.00 0.00 66.02 64.69 3det s SER 202 CO 0.83 -0.13 0.76 -0.81 0.98 0.00 0.00 173.24 174.86 3det n PRO 203 N 4.61 0.10 -3.24 4.02 -0.04 -1.26 -4.97 135.00 134.22 3det n PRO 203 Ca -0.16 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 3det n PRO 203 Cb 0.46 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 3det n PRO 203 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3det s ILE 204 N -2.12 4.98 -0.30 0.52 1.01 -0.74 -4.92 121.20 119.63 3det s ILE 204 Ca 0.66 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 3det s ILE 204 Cb -0.29 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3det s ILE 204 CO 0.58 -0.54 0.21 0.68 0.00 0.00 0.00 174.94 175.87 3det s VAL 205 N 2.40 5.29 -0.05 2.92 -7.23 -1.26 -1.55 120.40 120.92 3det s VAL 205 Ca 0.15 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 3det s VAL 205 Cb -0.17 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 3det s VAL 205 CO 0.15 0.16 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.53 3det s LYS 206 N 1.75 2.82 0.22 4.82 -0.14 -0.69 -4.95 119.74 123.57 3det s LYS 206 Ca 0.07 -0.53 -0.22 0.00 -1.36 0.00 0.00 55.97 53.93 3det s LYS 206 Cb -0.16 -2.67 0.05 0.00 -1.68 0.00 0.00 37.83 33.36 3det s LYS 206 CO 0.11 0.67 0.66 -1.54 -0.76 0.00 0.00 175.35 174.48 3det s SER 207 N -1.04 -0.42 0.04 2.83 1.04 -1.26 0.37 113.70 115.25 3det s SER 207 Ca 0.15 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 3det s SER 207 Cb -0.11 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3det s SER 207 CO 0.04 -1.15 0.27 0.72 0.98 0.00 0.00 173.24 174.10 3det s PHE 208 N -3.83 -0.06 -0.16 5.02 -0.12 -0.58 -4.99 117.98 113.26 3det s PHE 208 Ca 0.06 -0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 56.80 3det s PHE 208 Cb -0.03 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 3det s PHE 208 CO -0.04 -0.47 0.04 -0.80 -0.05 0.00 0.00 175.22 173.91 3det s ASN 209 N -1.99 5.46 0.41 1.98 0.01 -1.26 -1.55 114.94 118.01 3det s ASN 209 Ca -0.06 0.07 0.20 0.00 -0.71 0.00 0.00 52.86 52.36 3det s ASN 209 Cb -0.01 -1.88 1.15 0.00 0.41 0.00 0.00 41.25 40.92 3det s ASN 209 CO -0.03 0.21 1.77 0.03 -1.51 0.00 0.00 177.10 177.57 3det h ARG 210 N 6.42 0.34 0.00 -0.60 3.08 -0.85 -3.49 114.38 119.28 3det h ARG 210 Ca -0.38 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3det h ARG 210 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3det h ARG 210 CO 0.67 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.79