#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3det n ILE 2 N 0.00 0.55 -3.63 2.12 2.08 -1.26 -4.99 119.36 114.22 3det n ILE 2 Ca 0.00 -0.14 -0.40 0.00 0.56 0.00 0.00 62.75 62.77 3det n ILE 2 Cb 0.00 -1.42 -0.11 0.00 -0.75 0.00 0.00 39.64 37.35 3det n ILE 2 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3det s VAL 3 N 0.31 4.30 0.02 1.39 1.01 -1.26 -4.72 120.40 121.45 3det s VAL 3 Ca 0.73 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 3det s VAL 3 Cb -0.69 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3det s VAL 3 CO 0.45 -0.30 0.49 -0.76 0.00 0.00 0.00 175.10 174.99 3det s LEU 4 N 1.48 4.48 -0.16 3.92 1.43 -1.26 -1.78 118.68 126.80 3det s LEU 4 Ca 0.01 1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 54.17 3det s LEU 4 Cb -0.20 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.33 3det s LEU 4 CO 0.05 0.27 0.06 -0.89 0.23 0.00 0.00 176.35 176.06 3det s THR 5 N -0.93 0.19 0.06 5.49 2.01 0.12 -4.15 115.64 118.42 3det s THR 5 Ca 0.27 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 3det s THR 5 Cb -0.18 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.56 3det s THR 5 CO 0.16 -0.16 0.51 -1.10 -0.69 0.00 0.00 174.62 173.34 3det s GLN 6 N 2.02 4.07 0.00 4.92 -0.21 -1.26 -2.07 119.66 127.14 3det s GLN 6 Ca 0.01 0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.99 3det s GLN 6 Cb -0.16 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.66 3det s GLN 6 CO -0.08 0.64 0.47 0.45 -2.12 0.00 0.00 175.29 174.65 3det n SER 7 N 1.63 0.00 -4.69 5.90 2.88 0.90 -4.32 113.62 115.91 3det n SER 7 Ca -0.11 0.57 -0.40 0.00 -1.33 0.00 0.00 58.87 57.60 3det n SER 7 Cb 0.51 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.47 4.34 0.57 -1.46 0.05 -1.26 -4.91 135.00 130.86 3det s PRO 8 Ca 0.00 0.89 0.29 0.00 0.05 0.00 0.00 61.00 62.23 3det s PRO 8 Cb 0.00 -3.52 1.72 0.00 0.05 0.00 0.00 34.50 32.75 3det s PRO 8 CO 0.00 -0.14 2.21 0.00 0.05 0.00 0.00 177.00 179.11 3det h ALA 9 N 7.12 1.47 -2.27 8.56 0.00 -1.83 -3.40 119.26 128.91 3det h ALA 9 Ca -0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3det h ALA 9 Cb 1.16 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 3det h ALA 9 CO 0.79 0.04 -0.15 0.42 0.00 0.00 0.00 179.25 180.35 3det s ILE 10 N -4.52 -0.23 0.22 0.00 1.01 -1.26 -2.21 121.20 114.21 3det s ILE 10 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3det s ILE 10 Cb 0.15 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 3det s ILE 10 CO 0.56 0.02 0.04 0.00 0.00 0.00 0.00 174.94 175.56 3det s MET 11 N 1.86 1.28 0.02 2.79 0.23 0.31 -4.91 119.30 120.88 3det s MET 11 Ca -0.08 -1.66 0.05 0.00 -1.03 0.00 0.00 55.69 52.97 3det s MET 11 Cb -0.08 -0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 32.84 3det s MET 11 CO -0.17 -0.18 -0.17 -1.12 -2.03 0.00 0.00 175.02 171.36 3det s SER 12 N -3.26 1.95 -0.07 -1.18 0.01 -1.26 -0.89 113.70 109.00 3det s SER 12 Ca 0.30 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 56.93 3det s SER 12 Cb 0.07 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.17 3det s SER 12 CO 0.09 0.14 0.55 0.00 0.41 0.00 0.00 173.24 174.43 3det s ALA 13 N -0.61 -1.41 -0.17 1.44 0.00 -0.37 -4.95 121.76 115.68 3det s ALA 13 Ca 0.05 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 3det s ALA 13 Cb -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3det s ALA 13 CO 0.00 -0.32 0.21 0.00 0.00 0.00 0.00 175.76 175.65 3det s ALA 14 N -0.92 3.66 0.20 0.00 0.00 -1.26 -1.04 121.76 122.40 3det s ALA 14 Ca -0.09 -0.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.97 3det s ALA 14 Cb -0.02 -2.26 -0.15 0.00 0.00 0.00 0.00 23.12 20.69 3det s ALA 14 CO 0.06 0.17 1.29 -2.30 0.00 0.00 0.00 175.76 174.99 3det n PRO 15 N 3.40 1.59 0.00 0.00 -0.02 -1.26 -0.56 135.00 138.15 3det n PRO 15 Ca -0.14 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3det n PRO 15 Cb 0.52 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.15 3.01 3.66 -1.23 0.00 0.74 -4.95 105.19 108.56 3det n GLY 16 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3det n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3det n ASP 17 N 0.00 1.29 -4.68 1.61 10.43 0.27 -4.52 116.55 120.95 3det n ASP 17 Ca 0.00 0.79 -0.39 0.00 2.57 0.00 0.00 54.79 57.76 3det n ASP 17 Cb 0.00 -1.47 -0.06 0.00 1.84 0.00 0.00 41.12 41.43 3det n ASP 17 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3det s LYS 18 N -3.12 4.23 -0.05 -1.24 2.20 -1.26 0.12 119.74 120.62 3det s LYS 18 Ca 0.79 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.86 3det s LYS 18 Cb -0.39 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 3det s LYS 18 CO 0.44 -0.06 -0.14 0.08 -0.36 0.00 0.00 175.35 175.31 3det s VAL 19 N 1.35 3.06 -0.08 4.02 1.01 -0.48 -4.93 120.40 124.35 3det s VAL 19 Ca 0.25 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3det s VAL 19 Cb -0.15 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.05 3det s VAL 19 CO 0.10 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.87 3det s THR 20 N -0.68 0.56 0.33 3.92 2.01 -1.26 -0.47 115.64 120.06 3det s THR 20 Ca 0.10 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.16 3det s THR 20 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3det s THR 20 CO 0.01 0.28 0.18 0.00 -0.69 0.00 0.00 174.62 174.39 3det s MET 21 N 1.70 2.49 -0.01 4.92 0.23 -0.71 -4.98 119.30 122.93 3det s MET 21 Ca 0.02 -1.45 0.03 0.00 -1.03 0.00 0.00 55.69 53.26 3det s MET 21 Cb -0.13 -2.27 -0.00 0.00 -1.53 0.00 0.00 34.83 30.90 3det s MET 21 CO -0.05 0.14 -0.09 0.99 -2.03 0.00 0.00 175.02 173.98 3det s THR 22 N -2.37 0.74 -0.25 3.16 2.01 -1.26 -2.41 115.64 115.25 3det s THR 22 Ca 0.38 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3det s THR 22 Cb -0.04 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 71.90 3det s THR 22 CO 0.24 0.22 -0.06 0.00 -0.69 0.00 0.00 174.62 174.33 3det s SER 24 N 1.29 5.98 0.00 0.00 0.01 -0.88 0.07 113.70 120.17 3det s SER 24 Ca -0.05 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.49 3det s SER 24 Cb -0.19 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.23 3det s SER 24 CO -0.07 0.26 -0.18 0.00 0.41 0.00 0.00 173.24 173.67 3det s ALA 25 N -1.26 1.47 0.15 1.44 0.00 0.76 0.15 121.76 124.47 3det s ALA 25 Ca 0.25 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 3det s ALA 25 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3det s ALA 25 CO 0.16 0.35 1.58 0.66 0.00 0.00 0.00 175.76 178.51 3det h SER 26 N 5.49 0.92 -0.75 0.00 4.64 -1.68 -3.44 113.55 118.73 3det h SER 26 Ca -0.38 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 3det h SER 26 Cb 1.15 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3det h SER 26 CO 0.47 1.05 0.00 -1.20 -0.87 0.00 0.00 176.83 176.28 3det n SER 27 N -4.24 0.25 -4.83 4.97 7.64 -1.26 -5.02 113.62 111.12 3det n SER 27 Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3det n SER 27 Cb 0.37 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.42 6.34 0.22 6.43 0.15 -1.26 -4.58 113.70 120.58 3det s SER 28 Ca 0.00 0.40 0.05 0.00 0.70 0.00 0.00 55.95 57.10 3det s SER 28 Cb 0.00 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 3det s SER 28 CO 0.00 0.34 -0.04 0.68 1.20 0.00 0.00 173.24 175.41 3det s VAL 29 N -0.59 1.24 0.00 4.45 -7.23 -0.77 -4.91 120.40 112.59 3det s VAL 29 Ca 0.13 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 3det s VAL 29 Cb -0.12 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.59 3det s VAL 29 CO 0.02 -0.41 0.30 -0.94 -0.31 0.00 0.00 175.10 173.76 3det s SER 30 N -3.31 -0.17 -0.91 4.85 1.04 -1.26 -3.70 113.70 110.25 3det s SER 30 Ca 0.26 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.62 3det s SER 30 Cb 0.04 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 3det s SER 30 CO 0.08 -0.50 0.71 -1.22 0.98 0.00 0.00 173.24 173.29 3det n TYR 31 N 1.07 -2.32 -2.75 5.02 4.02 -1.26 -4.59 117.16 116.34 3det n TYR 31 Ca -0.21 0.81 -0.28 0.00 -0.01 0.00 0.00 57.90 58.21 3det n TYR 31 Cb 0.57 -3.47 -0.01 0.00 -0.02 0.00 0.00 39.34 36.41 3det n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3det s ILE 32 N -3.16 4.91 0.35 -0.72 -4.36 -1.26 -4.17 121.20 112.78 3det s ILE 32 Ca 0.17 0.23 0.08 0.00 -0.26 0.00 0.00 60.65 60.87 3det s ILE 32 Cb -0.06 -3.83 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 3det s ILE 32 CO 0.83 -0.75 0.17 -1.00 0.24 0.00 0.00 174.94 174.43 3det s HIS 33 N -2.62 2.71 -0.03 1.37 3.76 -0.52 0.80 115.29 120.76 3det s HIS 33 Ca 0.47 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 3det s HIS 33 Cb -0.10 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.88 3det s HIS 33 CO 0.41 0.29 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.91 3det s TRP 34 N -2.44 1.07 0.14 1.40 0.52 0.26 -0.27 118.94 119.62 3det s TRP 34 Ca 0.39 -0.30 0.06 0.00 0.02 0.00 0.00 56.10 56.27 3det s TRP 34 Cb -0.02 -0.78 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 3det s TRP 34 CO 0.23 -0.14 0.03 0.71 0.02 0.00 0.00 176.95 177.80 3det s TYR 35 N 0.32 2.97 -0.14 -1.98 1.51 0.40 -1.04 117.35 119.38 3det s TYR 35 Ca -0.06 -0.07 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3det s TYR 35 Cb -0.10 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3det s TYR 35 CO 0.01 0.50 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.69 3det s GLN 36 N -2.73 3.36 -0.23 -0.62 0.74 -0.35 -1.61 119.66 118.23 3det s GLN 36 Ca 0.28 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.99 3det s GLN 36 Cb -0.10 -2.66 0.06 0.00 1.10 0.00 0.00 33.01 31.41 3det s GLN 36 CO 0.20 0.15 0.00 -1.14 -0.55 0.00 0.00 175.29 173.95 3det s GLN 37 N 0.50 1.10 0.41 1.67 0.74 0.74 -1.19 119.66 123.63 3det s GLN 37 Ca -0.09 -0.76 -0.07 0.00 0.05 0.00 0.00 55.36 54.50 3det s GLN 37 Cb -0.16 -2.33 -0.05 0.00 1.10 0.00 0.00 33.01 31.57 3det s GLN 37 CO 0.04 -0.66 0.72 0.15 -0.55 0.00 0.00 175.29 174.99 3det s LYS 38 N 1.61 3.63 -0.28 1.67 1.02 -1.26 -1.43 119.74 124.71 3det s LYS 38 Ca -0.02 0.22 -0.35 0.00 0.02 0.00 0.00 55.97 55.84 3det s LYS 38 Cb -0.18 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 3det s LYS 38 CO -0.09 -0.05 2.09 0.43 -0.92 0.00 0.00 175.35 176.81 3det n SER 39 N -1.67 2.54 0.00 2.83 7.64 -1.26 -1.22 113.62 122.47 3det n SER 39 Ca 0.00 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3det n SER 39 Cb 0.55 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 5.83 0.67 3.49 0.23 0.00 -1.26 -5.06 105.19 109.09 3det n GLY 40 Ca 0.35 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.67 0.68 2.61 -1.32 -0.36 -5.14 115.64 112.78 3det s THR 41 Ca 0.00 -2.04 -0.16 0.00 -1.21 0.00 0.00 61.69 58.28 3det s THR 41 Cb 0.00 -2.34 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 3det s THR 41 CO 0.00 -0.21 1.18 -0.44 -2.21 0.00 0.00 174.62 172.94 3det s SER 42 N -3.01 4.69 0.81 8.08 0.01 -1.26 -4.53 113.70 118.49 3det s SER 42 Ca 0.25 2.27 -0.11 0.00 1.31 0.00 0.00 55.95 59.67 3det s SER 42 Cb -0.07 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.65 3det s SER 42 CO 0.13 -1.92 1.09 -2.16 0.41 0.00 0.00 173.24 170.79 3det s PRO 43 N -3.81 1.98 -0.06 12.44 0.05 -1.26 -4.74 135.00 139.61 3det s PRO 43 Ca 0.73 1.02 0.01 0.00 0.05 0.00 0.00 61.00 62.81 3det s PRO 43 Cb -0.27 -1.88 0.02 0.00 0.05 0.00 0.00 34.50 32.42 3det s PRO 43 CO 0.41 -1.79 -0.07 0.15 0.05 0.00 0.00 177.00 175.75 3det s LYS 44 N -4.93 1.18 0.06 4.56 1.02 -0.34 -4.92 119.74 116.37 3det s LYS 44 Ca 0.62 -0.21 -0.32 0.00 0.02 0.00 0.00 55.97 56.07 3det s LYS 44 Cb -0.17 -1.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.91 3det s LYS 44 CO 0.56 -0.08 1.82 -2.13 -0.92 0.00 0.00 175.35 174.61 3det n ARG 45 N 4.13 2.54 -0.01 1.68 0.63 -1.26 -1.21 116.66 123.16 3det n ARG 45 Ca -0.22 0.93 -0.03 0.00 -0.92 0.00 0.00 57.85 57.60 3det n ARG 45 Cb 0.51 -2.79 -0.01 0.00 0.45 0.00 0.00 32.46 30.61 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 5.76 0.00 -5.00 -0.14 -0.00 -0.21 -4.70 117.44 113.16 3det n TRP 46 Ca 0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.42 3det n TRP 46 Cb 0.34 -0.18 -0.16 0.00 -0.00 0.00 0.00 31.31 31.31 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 -2.22 1.64 0.14 5.87 1.01 -1.07 -1.23 121.20 125.34 3det s ILE 47 Ca -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3det s ILE 47 Cb 0.01 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3det s ILE 47 CO 0.15 0.47 -0.09 -0.72 0.00 0.00 0.00 174.94 174.75 3det s TYR 48 N -0.26 1.19 -1.45 3.97 -0.85 -0.04 0.89 117.35 120.81 3det s TYR 48 Ca 0.02 -0.79 -0.11 0.00 -0.52 0.00 0.00 57.07 55.67 3det s TYR 48 Cb -0.10 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.64 3det s TYR 48 CO 0.01 0.03 0.20 -0.25 -1.52 0.00 0.00 175.55 174.02 3det n ASP 49 N -0.16 -0.52 0.00 -0.18 8.00 -1.22 -1.46 116.55 121.01 3det n ASP 49 Ca -0.11 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3det n ASP 49 Cb 0.61 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 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 -4.73 0.00 -2.07 -3.53 -1.04 0.24 -4.13 114.28 99.03 3det n THR 50 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3det n THR 50 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 2.13 0.10 -4.73 8.00 3.41 -1.16 -2.55 113.62 118.82 3det n SER 51 Ca 0.00 -1.83 -0.35 0.00 -0.26 0.00 0.00 58.87 56.43 3det n SER 51 Cb 0.00 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 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 3.32 0.12 4.33 1.02 -0.53 -4.52 119.74 123.47 3det s LYS 52 Ca 0.04 -0.31 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 3det s LYS 52 Cb 0.05 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3det s LYS 52 CO -0.02 0.64 0.67 -0.51 -0.92 0.00 0.00 175.35 175.21 3det s LEU 53 N -0.69 4.56 0.76 3.17 1.43 -1.26 -0.86 118.68 125.79 3det s LEU 53 Ca 0.12 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 3det s LEU 53 Cb -0.12 -3.09 0.05 0.00 0.03 0.00 0.00 46.19 43.06 3det s LEU 53 CO 0.02 0.24 1.11 -0.89 0.23 0.00 0.00 176.35 177.06 3det s THR 54 N -1.10 3.05 0.04 5.49 2.01 -0.37 -4.91 115.64 119.86 3det s THR 54 Ca 0.32 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 3det s THR 54 Cb -0.21 -2.83 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 3det s THR 54 CO 0.23 -0.40 1.30 -0.55 -0.69 0.00 0.00 174.62 174.51 3det s SER 55 N -2.97 6.95 0.00 3.53 0.15 -1.26 -2.22 113.70 117.89 3det s SER 55 Ca 0.64 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.38 3det s SER 55 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3det s SER 55 CO 0.51 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3det n GLY 56 N 3.42 1.37 3.69 9.45 0.00 -1.26 -5.07 105.19 116.79 3det n GLY 56 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3det n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3det s VAL 57 N -2.22 4.82 0.69 1.61 1.01 -0.94 -4.99 120.40 120.39 3det s VAL 57 Ca 0.00 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.73 3det s VAL 57 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3det s VAL 57 CO 0.00 0.03 1.26 -2.16 0.00 0.00 0.00 175.10 174.23 3det s PRO 58 N 1.93 2.34 0.00 2.72 0.04 -1.26 -4.85 135.00 135.92 3det s PRO 58 Ca 0.46 1.95 0.27 0.00 0.04 0.00 0.00 61.00 63.72 3det s PRO 58 Cb -0.18 -1.83 1.33 0.00 0.04 0.00 0.00 34.50 33.86 3det s PRO 58 CO 0.17 -1.73 1.92 1.33 0.04 0.00 0.00 177.00 178.73 3det n VAL 59 N -2.26 0.13 0.20 -0.36 0.24 -1.26 -2.70 118.33 112.31 3det n VAL 59 Ca 0.15 0.03 0.11 0.00 -2.04 0.00 0.00 64.34 62.59 3det n VAL 59 Cb 0.49 -0.58 0.60 0.00 -1.47 0.00 0.00 33.84 32.88 3det n VAL 59 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3det h ARG 60 N 0.00 0.00 -6.13 7.34 0.11 -1.89 -3.42 114.38 110.39 3det h ARG 60 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3det h ARG 60 Cb 0.29 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.33 3det h ARG 60 CO 0.00 0.00 -0.20 -0.06 0.10 0.00 0.00 179.97 179.81 3det s PHE 61 N -3.59 3.63 0.05 4.08 0.40 -1.10 0.07 117.98 121.52 3det s PHE 61 Ca -0.02 0.91 -0.07 0.00 -0.60 0.00 0.00 56.93 57.14 3det s PHE 61 Cb 0.06 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 3det s PHE 61 CO 0.20 0.53 0.14 -1.54 0.70 0.00 0.00 175.22 175.25 3det s SER 62 N -1.56 0.14 0.23 1.36 1.04 -0.33 -4.97 113.70 109.60 3det s SER 62 Ca 0.31 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.30 3det s SER 62 Cb -0.15 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 3det s SER 62 CO 0.17 -0.57 -0.15 -0.83 0.98 0.00 0.00 173.24 172.84 3det s GLY 63 N -2.29 1.56 0.00 7.32 0.00 -1.26 -0.49 107.32 112.17 3det s GLY 63 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.96 3det s GLY 63 CO -0.06 -1.81 0.00 -1.14 0.00 0.00 0.00 173.10 170.09 3det n SER 64 N -0.45 0.00 0.00 1.64 3.41 -0.36 -4.46 113.62 113.39 3det n SER 64 Ca -0.07 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 3det n SER 64 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 1.51 3.60 5.00 0.00 -1.26 -1.26 105.19 112.78 3det n GLY 65 Ca 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 -0.05 0.70 1.61 1.04 -0.24 -4.92 113.70 111.84 3det s SER 66 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3det s SER 66 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3det s SER 66 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3det n GLY 67 N -0.36 1.60 0.06 7.32 0.00 -1.24 -2.76 105.19 109.81 3det n GLY 67 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.01 3det n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3det n THR 68 N 0.00 0.00 -4.81 2.61 -2.24 -1.26 -1.84 114.28 106.74 3det n THR 68 Ca 0.00 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 3det n THR 68 Cb 0.00 1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 69.10 3det n THR 68 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3det s SER 69 N -1.21 2.78 0.26 3.42 1.04 -1.11 -0.17 113.70 118.72 3det s SER 69 Ca 0.03 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 56.04 3det s SER 69 Cb 0.04 -1.27 -0.05 0.00 0.10 0.00 0.00 66.02 64.83 3det s SER 69 CO 0.17 0.09 -0.14 -0.31 0.98 0.00 0.00 173.24 174.03 3det s TYR 70 N 0.67 2.04 -0.04 5.02 1.51 0.11 -1.08 117.35 125.58 3det s TYR 70 Ca -0.12 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.32 3det s TYR 70 Cb -0.16 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3det s TYR 70 CO 0.03 0.49 0.23 -1.54 -1.11 0.00 0.00 175.55 173.64 3det s SER 71 N -3.44 -0.15 -0.05 2.29 1.04 -0.39 0.11 113.70 113.11 3det s SER 71 Ca 0.28 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.86 3det s SER 71 Cb -0.01 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3det s SER 71 CO 0.12 -0.28 0.01 -0.22 0.98 0.00 0.00 173.24 173.84 3det s LEU 72 N -0.77 3.57 0.01 2.42 0.20 -1.01 -1.23 118.68 121.87 3det s LEU 72 Ca -0.09 0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.85 3det s LEU 72 Cb -0.05 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3det s LEU 72 CO 0.02 0.34 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.43 3det s THR 73 N -0.98 0.73 -0.29 3.68 2.01 0.36 -1.74 115.64 119.41 3det s THR 73 Ca 0.16 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3det s THR 73 Cb -0.11 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.79 3det s THR 73 CO 0.06 0.03 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.35 3det s ILE 74 N -0.57 2.63 -0.55 1.82 1.01 0.39 -1.19 121.20 124.73 3det s ILE 74 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 60.65 58.88 3det s ILE 74 Cb -0.06 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.91 3det s ILE 74 CO 0.00 -0.11 0.87 0.21 0.00 0.00 0.00 174.94 175.91 3det s ASN 75 N 1.19 6.29 -0.26 3.58 2.47 0.11 -1.39 114.94 126.94 3det s ASN 75 Ca -0.06 -0.56 -0.06 0.00 0.42 0.00 0.00 52.86 52.60 3det s ASN 75 Cb -0.20 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 3det s ASN 75 CO -0.03 -1.17 0.31 0.41 -3.72 0.00 0.00 177.10 172.90 3det n THR 76 N 6.03 -6.29 -1.52 -5.21 -1.04 -1.17 -4.80 114.28 100.28 3det n THR 76 Ca -0.01 0.29 -0.44 0.00 -2.04 0.00 0.00 64.05 61.85 3det n THR 76 Cb 0.47 -5.53 -0.01 0.00 -1.82 0.00 0.00 70.33 63.43 3det n THR 76 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3det n MET 77 N -0.68 0.91 -4.26 -2.82 1.56 0.12 -4.48 117.12 107.47 3det n MET 77 Ca 0.04 0.32 -0.28 0.00 -0.27 0.00 0.00 57.70 57.51 3det n MET 77 Cb 0.31 -1.62 -0.10 0.00 2.15 0.00 0.00 33.22 33.96 3det n MET 77 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3det s GLU 78 N -1.50 2.07 0.23 2.12 0.41 -1.26 -0.18 118.70 120.58 3det s GLU 78 Ca 0.61 -1.14 -0.07 0.00 -0.41 0.00 0.00 54.97 53.96 3det s GLU 78 Cb -0.71 -2.23 0.28 0.00 -1.78 0.00 0.00 34.13 29.69 3det s GLU 78 CO 0.59 0.47 1.87 0.00 -0.49 0.00 0.00 175.26 177.70 3det h ALA 79 N 3.31 1.12 0.00 5.21 0.00 -1.94 0.21 119.26 127.18 3det h ALA 79 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3det h ALA 79 Cb 1.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3det h ALA 79 CO 0.52 0.34 0.11 -0.85 0.00 0.00 0.00 179.25 179.37 3det n GLU 80 N -4.58 0.02 0.00 0.00 0.28 -1.18 -1.81 120.64 113.35 3det n GLU 80 Ca 0.11 0.42 0.10 0.00 -0.16 0.00 0.00 57.16 57.63 3det n GLU 80 Cb 0.12 -1.66 0.52 0.00 1.43 0.00 0.00 31.44 31.84 3det n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3det n ASP 81 N -1.50 0.00 -4.68 -1.84 10.43 0.74 -4.85 116.55 114.85 3det n ASP 81 Ca -0.00 0.07 -0.42 0.00 2.57 0.00 0.00 54.79 57.01 3det n ASP 81 Cb 0.12 -0.32 -0.03 0.00 1.84 0.00 0.00 41.12 42.73 3det n ASP 81 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3det s ALA 82 N -2.65 3.62 0.17 2.24 0.00 -0.75 -4.93 121.76 119.47 3det s ALA 82 Ca 0.18 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 3det s ALA 82 Cb 0.14 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.64 3det s ALA 82 CO 0.33 -1.11 0.56 0.00 0.00 0.00 0.00 175.76 175.54 3det n ALA 83 N 5.95 -1.37 -2.72 0.00 0.00 -1.22 -4.80 120.51 116.36 3det n ALA 83 Ca 0.15 -0.69 -0.37 0.00 0.00 0.00 0.00 53.44 52.53 3det n ALA 83 Cb 0.43 0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.28 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 -2.35 5.29 -0.31 0.00 2.01 -0.51 0.62 115.64 120.38 3det s THR 84 Ca 0.12 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 3det s THR 84 Cb -0.02 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.85 3det s THR 84 CO 0.05 0.38 0.09 -0.31 -0.69 0.00 0.00 174.62 174.14 3det s TYR 85 N 0.51 3.18 -0.02 4.92 1.51 -0.49 -0.19 117.35 126.78 3det s TYR 85 Ca 0.18 -1.11 -0.23 0.00 -1.01 0.00 0.00 57.07 54.90 3det s TYR 85 Cb -0.13 -2.27 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 3det s TYR 85 CO 0.05 -0.63 0.68 0.71 -1.11 0.00 0.00 175.55 175.26 3det s TYR 86 N 1.47 3.64 0.43 2.71 4.12 -0.64 -2.59 117.35 126.50 3det s TYR 86 Ca 0.01 1.28 -0.02 0.00 0.02 0.00 0.00 57.07 58.37 3det s TYR 86 Cb -0.18 -2.75 -0.03 0.00 -1.52 0.00 0.00 41.96 37.48 3det s TYR 86 CO 0.03 0.20 0.67 0.00 0.02 0.00 0.00 175.55 176.48 3det s GLN 88 N -4.55 0.76 0.04 0.00 -0.44 0.63 -0.21 119.66 115.88 3det s GLN 88 Ca 0.45 0.11 0.04 0.00 -2.50 0.00 0.00 55.36 53.46 3det s GLN 88 Cb -0.10 0.35 -0.02 0.00 -1.64 0.00 0.00 33.01 31.60 3det s GLN 88 CO 0.40 -0.20 -0.13 1.14 0.50 0.00 0.00 175.29 177.00 3det s GLN 89 N -0.97 0.85 -0.30 1.67 1.03 -0.08 -1.44 119.66 120.43 3det s GLN 89 Ca -0.10 -0.71 0.18 0.00 0.04 0.00 0.00 55.36 54.77 3det s GLN 89 Cb -0.03 -0.83 0.46 0.00 0.03 0.00 0.00 33.01 32.63 3det s GLN 89 CO 0.05 0.20 1.31 1.87 -2.54 0.00 0.00 175.29 176.19 3det n TRP 90 N 1.94 -0.27 0.85 9.60 -0.00 -1.26 -1.12 117.44 127.18 3det n TRP 90 Ca -0.18 -1.94 0.12 0.00 -0.00 0.00 0.00 57.50 55.50 3det n TRP 90 Cb 0.55 0.59 0.21 0.00 -0.00 0.00 0.00 31.31 32.66 3det n TRP 90 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3det n SER 91 N -1.03 2.88 -3.87 5.87 3.41 -1.26 -4.83 113.62 114.78 3det n SER 91 Ca -0.04 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 56.55 3det n SER 91 Cb 0.84 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 3det n SER 91 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3det s SER 92 N -1.80 -0.02 0.19 4.04 0.01 -1.26 -4.91 113.70 109.94 3det s SER 92 Ca 0.33 -0.71 0.09 0.00 1.31 0.00 0.00 55.95 56.98 3det s SER 92 Cb 0.21 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 3det s SER 92 CO 0.31 -0.89 -0.11 -2.28 0.41 0.00 0.00 173.24 170.68 3det s HIS 93 N -3.91 2.59 0.93 2.43 2.46 -1.26 -3.92 115.29 114.62 3det s HIS 93 Ca 0.12 -0.24 -0.12 0.00 0.47 0.00 0.00 55.06 55.29 3det s HIS 93 Cb 0.03 -1.26 0.15 0.00 -0.13 0.00 0.00 32.58 31.37 3det s HIS 93 CO -0.04 0.52 1.11 -1.25 -2.47 0.00 0.00 174.74 172.61 3det s PRO 94 N -2.87 0.96 0.58 2.88 0.04 -1.26 -4.65 135.00 130.67 3det s PRO 94 Ca 0.25 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.56 3det s PRO 94 Cb -0.08 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3det s PRO 94 CO 0.15 -2.36 1.18 1.14 0.04 0.00 0.00 177.00 177.15 3det s GLN 95 N -5.11 3.08 0.06 4.56 0.00 -1.25 -4.70 119.66 116.29 3det s GLN 95 Ca 0.64 1.76 0.03 0.00 -0.00 0.00 0.00 55.36 57.79 3det s GLN 95 Cb -0.17 -1.95 -0.03 0.00 0.00 0.00 0.00 33.01 30.87 3det s GLN 95 CO 0.55 -1.10 -0.09 0.95 0.00 0.00 0.00 175.29 175.60 3det s THR 96 N -1.65 0.67 -0.05 3.63 -4.23 -0.28 -4.97 115.64 108.77 3det s THR 96 Ca 0.76 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 3det s THR 96 Cb -0.28 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3det s THR 96 CO 0.31 -0.43 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.52 3det s PHE 97 N -1.72 2.90 1.27 3.99 0.08 -1.26 -0.90 117.98 122.33 3det s PHE 97 Ca -0.05 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.79 3det s PHE 97 Cb -0.08 -1.68 0.31 0.00 -0.57 0.00 0.00 43.02 41.00 3det s PHE 97 CO 0.00 0.32 0.69 0.41 -0.10 0.00 0.00 175.22 176.55 3det n GLY 98 N 2.10 -3.29 0.11 4.36 0.00 0.70 -4.64 105.19 104.54 3det n GLY 98 Ca -0.17 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 44.89 3det n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3det n GLY 99 N -4.16 -1.44 0.00 -0.02 0.00 -1.26 -4.81 105.19 93.50 3det n GLY 99 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.20 1.61 3.39 -0.02 0.00 -1.26 -5.00 105.19 105.11 3det n GLY 100 Ca -0.01 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.72 3.86 -0.09 2.61 2.01 -1.07 -4.67 115.64 117.57 3det s THR 101 Ca 0.00 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 3det s THR 101 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 3det s THR 101 CO 0.00 0.39 0.59 -0.75 -0.69 0.00 0.00 174.62 174.15 3det s LYS 102 N 1.47 4.39 -0.18 4.92 2.20 -0.94 -1.40 119.74 130.20 3det s LYS 102 Ca 0.05 0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 3det s LYS 102 Cb -0.15 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3det s LYS 102 CO 0.00 0.11 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.89 3det s LEU 103 N 0.73 3.11 -0.03 5.43 2.96 0.20 -0.53 118.68 130.55 3det s LEU 103 Ca 0.31 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 3det s LEU 103 Cb -0.16 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3det s LEU 103 CO 0.14 0.11 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.43 3det s GLU 104 N 0.73 2.15 0.18 1.98 2.02 -0.07 -3.37 118.70 122.33 3det s GLU 104 Ca -0.02 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 3det s GLU 104 Cb -0.15 -1.96 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 3det s GLU 104 CO 0.02 0.45 0.53 0.42 0.02 0.00 0.00 175.26 176.70 3det s ILE 105 N -0.37 4.93 -0.39 -1.63 -1.09 -1.26 -1.24 121.20 120.15 3det s ILE 105 Ca 0.04 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 3det s ILE 105 Cb -0.11 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.20 3det s ILE 105 CO 0.01 0.07 0.18 -0.76 -1.23 0.00 0.00 174.94 173.21 3det s LEU 106 N -2.44 4.94 0.51 2.97 1.43 -0.20 -4.80 118.68 121.08 3det s LEU 106 Ca 0.43 -1.67 0.07 0.00 -1.03 0.00 0.00 54.13 51.92 3det s LEU 106 Cb -0.13 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3det s LEU 106 CO 0.20 -0.48 0.44 0.00 0.23 0.00 0.00 176.35 176.74 3det s ARG 107 N 1.28 2.33 0.78 1.70 1.70 -1.26 -4.40 118.95 121.07 3det s ARG 107 Ca 0.03 -1.83 -0.11 0.00 -0.47 0.00 0.00 55.73 53.35 3det s ARG 107 Cb -0.22 -2.24 0.06 0.00 -0.57 0.00 0.00 34.95 31.97 3det s ARG 107 CO -0.01 -0.52 1.08 0.00 -1.08 0.00 0.00 175.30 174.77 3det s ALA 108 N -2.67 2.23 0.59 7.88 0.00 -1.26 -4.95 121.76 123.57 3det s ALA 108 Ca 0.42 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 3det s ALA 108 Cb -0.03 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3det s ALA 108 CO 0.25 -1.73 1.34 -0.51 0.00 0.00 0.00 175.76 175.11 3det s ASP 109 N -3.57 4.99 -0.03 0.00 1.01 -1.26 -4.86 116.67 112.95 3det s ASP 109 Ca 0.61 2.73 -0.01 0.00 0.71 0.00 0.00 52.55 56.59 3det s ASP 109 Cb -0.16 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.17 3det s ASP 109 CO 0.56 -1.76 0.05 0.00 0.21 0.00 0.00 175.17 174.23 3det s ALA 110 N -1.33 0.03 0.11 5.23 0.00 -0.06 -4.89 121.76 120.84 3det s ALA 110 Ca 0.76 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 3det s ALA 110 Cb -0.40 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 3det s ALA 110 CO 0.45 -0.13 0.43 0.00 0.00 0.00 0.00 175.76 176.51 3det s ALA 111 N 1.14 3.70 0.91 0.00 0.00 -1.26 -0.21 121.76 126.03 3det s ALA 111 Ca -0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3det s ALA 111 Cb -0.13 -2.30 0.14 0.00 0.00 0.00 0.00 23.12 20.83 3det s ALA 111 CO -0.03 0.56 1.09 -1.25 0.00 0.00 0.00 175.76 176.13 3det s PRO 112 N -2.07 1.14 -0.27 0.00 0.04 -1.26 -4.51 135.00 128.07 3det s PRO 112 Ca 0.36 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.45 3det s PRO 112 Cb -0.14 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.70 3det s PRO 112 CO 0.19 -2.38 -0.01 0.99 0.04 0.00 0.00 177.00 175.83 3det s THR 113 N -2.81 1.68 -0.04 1.26 2.01 -0.61 -4.89 115.64 112.24 3det s THR 113 Ca 0.64 -1.56 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 3det s THR 113 Cb -0.20 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 3det s THR 113 CO 0.58 -0.29 0.48 -0.69 -0.69 0.00 0.00 174.62 174.01 3det s VAL 114 N 1.28 5.05 -0.03 3.82 1.01 -1.26 -2.26 120.40 128.01 3det s VAL 114 Ca -0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3det s VAL 114 Cb -0.19 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.41 3det s VAL 114 CO -0.09 0.44 0.01 -0.44 0.00 0.00 0.00 175.10 175.01 3det s SER 115 N -0.20 0.35 0.03 3.32 0.01 -0.60 -4.92 113.70 111.69 3det s SER 115 Ca 0.26 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.57 3det s SER 115 Cb -0.17 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 3det s SER 115 CO 0.13 -0.10 -0.15 -0.51 0.41 0.00 0.00 173.24 173.01 3det s ILE 116 N 1.02 2.99 -0.05 1.44 1.10 -1.26 -0.40 121.20 126.04 3det s ILE 116 Ca -0.10 -1.09 -0.01 0.00 -0.51 0.00 0.00 60.65 58.94 3det s ILE 116 Cb -0.13 -2.27 0.03 0.00 0.15 0.00 0.00 42.46 40.23 3det s ILE 116 CO -0.02 0.35 0.02 -0.36 -2.11 0.00 0.00 174.94 172.81 3det s PHE 117 N -0.94 0.39 0.37 3.50 0.40 0.79 -4.99 117.98 117.50 3det s PHE 117 Ca 0.15 0.00 -0.23 0.00 -0.60 0.00 0.00 56.93 56.26 3det s PHE 117 Cb -0.11 -0.58 -0.10 0.00 0.51 0.00 0.00 43.02 42.74 3det s PHE 117 CO 0.06 -0.22 0.93 -2.14 0.70 0.00 0.00 175.22 174.54 3det s PRO 118 N 1.69 4.37 0.08 0.24 0.02 -1.26 -2.55 135.00 137.58 3det s PRO 118 Ca -0.00 1.18 -0.37 0.00 0.02 0.00 0.00 61.00 61.83 3det s PRO 118 Cb -0.13 -2.48 -0.18 0.00 0.02 0.00 0.00 34.50 31.73 3det s PRO 118 CO -0.03 0.13 1.15 -2.30 -0.33 0.00 0.00 177.00 175.61 3det n PRO 119 N -0.06 0.65 -1.61 5.54 -0.02 -1.21 -4.85 135.00 133.44 3det n PRO 119 Ca 0.04 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 3det n PRO 119 Cb 0.52 -1.75 0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.10 4.69 0.17 2.55 1.04 -1.26 -4.83 113.70 116.16 3det s SER 120 Ca 0.83 2.16 -0.09 0.00 0.48 0.00 0.00 55.95 59.33 3det s SER 120 Cb -1.05 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 62.55 3det s SER 120 CO 0.52 -1.92 1.61 0.77 0.98 0.00 0.00 173.24 175.20 3det h SER 121 N -0.12 1.05 -0.94 7.02 4.64 -1.98 -1.31 113.55 121.91 3det h SER 121 Ca -0.47 -0.34 0.03 0.00 -0.47 0.00 0.00 61.79 60.54 3det h SER 121 Cb 1.27 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 3det h SER 121 CO 0.52 1.15 0.62 -0.33 -0.87 0.00 0.00 176.83 177.91 3det h GLU 122 N 0.94 1.16 -0.13 4.77 5.08 -1.95 0.21 114.58 124.65 3det h GLU 122 Ca 0.15 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3det h GLU 122 Cb 0.66 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3det h GLU 122 CO 0.05 0.77 -0.03 0.37 -1.00 0.00 0.00 179.01 179.16 3det h GLN 123 N 1.19 0.25 -0.65 2.33 4.15 -1.86 -2.81 115.11 117.71 3det h GLN 123 Ca 0.37 -0.10 0.16 0.00 0.77 0.00 0.00 58.65 59.86 3det h GLN 123 Cb -0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3det h GLN 123 CO -0.11 0.55 0.46 -0.07 -1.93 0.00 0.00 178.83 177.72 3det h LEU 124 N -0.06 0.14 -1.80 -2.39 3.38 -0.84 0.12 115.31 113.86 3det h LEU 124 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3det h LEU 124 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3det h LEU 124 CO 0.01 0.07 0.00 0.41 0.09 0.00 0.00 178.44 179.02 3det n THR 125 N -4.40 0.62 -0.47 0.22 -1.04 0.03 -3.23 114.28 106.01 3det n THR 125 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3det n THR 125 Cb 0.62 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.51 0.00 0.00 8.00 7.64 0.42 -5.02 113.62 125.17 3det n SER 126 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3det n SER 126 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 2.12 3.92 0.23 0.00 -1.14 -5.05 105.19 105.27 3det n GLY 127 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 1.64 -0.28 -0.02 0.00 -1.25 0.12 107.32 105.52 3det s GLY 128 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 3det s GLY 128 CO 0.00 -0.41 0.29 0.00 0.00 0.00 0.00 173.10 172.97 3det s ALA 129 N -3.13 -0.44 -0.18 3.20 0.00 0.56 -3.94 121.76 117.83 3det s ALA 129 Ca 0.57 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 3det s ALA 129 Cb -0.11 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 3det s ALA 129 CO 0.46 -1.64 0.21 -1.12 0.00 0.00 0.00 175.76 173.66 3det s SER 130 N 2.36 6.32 -0.34 0.00 0.01 -1.26 -0.48 113.70 120.31 3det s SER 130 Ca 0.09 0.37 -0.07 0.00 1.31 0.00 0.00 55.95 57.65 3det s SER 130 Cb -0.14 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 63.99 3det s SER 130 CO -0.30 0.14 0.11 -0.69 0.41 0.00 0.00 173.24 172.91 3det s VAL 131 N 0.43 3.83 0.02 3.43 1.01 0.34 -3.36 120.40 126.10 3det s VAL 131 Ca 0.12 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3det s VAL 131 Cb -0.12 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 3det s VAL 131 CO 0.01 -0.19 0.39 -0.69 0.00 0.00 0.00 175.10 174.62 3det s VAL 132 N 1.41 5.07 -0.19 2.92 1.01 -1.06 -1.26 120.40 128.31 3det s VAL 132 Ca -0.01 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 3det s VAL 132 Cb -0.20 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.59 3det s VAL 132 CO 0.03 0.50 0.16 0.00 0.00 0.00 0.00 175.10 175.79 3det s PHE 134 N 2.24 3.64 -0.67 0.00 0.08 0.46 -1.62 117.98 122.11 3det s PHE 134 Ca 0.05 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.32 3det s PHE 134 Cb -0.16 -2.72 0.17 0.00 -0.57 0.00 0.00 43.02 39.75 3det s PHE 134 CO -0.11 0.22 0.49 -0.51 -0.10 0.00 0.00 175.22 175.21 3det s LEU 135 N 0.28 5.16 -0.13 -0.37 1.43 0.13 -1.56 118.68 123.63 3det s LEU 135 Ca 0.34 -3.12 -0.19 0.00 -1.03 0.00 0.00 54.13 50.13 3det s LEU 135 Cb -0.18 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3det s LEU 135 CO 0.18 -0.30 0.52 0.20 0.23 0.00 0.00 176.35 177.18 3det s ASN 136 N 0.25 6.70 -0.37 2.29 0.02 -0.96 -1.21 114.94 121.66 3det s ASN 136 Ca 0.20 0.84 -0.01 0.00 -1.02 0.00 0.00 52.86 52.86 3det s ASN 136 Cb -0.17 -2.31 -0.02 0.00 0.02 0.00 0.00 41.25 38.77 3det s ASN 136 CO -0.06 -0.06 0.33 0.59 0.02 0.00 0.00 177.10 177.93 3det n ASN 137 N 3.95 -4.01 -4.56 -1.22 3.02 -0.84 -1.57 115.26 110.02 3det n ASN 137 Ca -0.06 -0.19 -0.26 0.00 -0.03 0.00 0.00 54.58 54.05 3det n ASN 137 Cb 0.51 -2.49 -0.11 0.00 -0.61 0.00 0.00 39.78 37.08 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 -3.10 2.37 -0.28 3.10 -0.12 0.02 -4.35 117.98 115.62 3det s PHE 138 Ca 0.11 -0.66 -0.16 0.00 -0.05 0.00 0.00 56.93 56.17 3det s PHE 138 Cb -0.01 -1.56 0.10 0.00 -0.63 0.00 0.00 43.02 40.92 3det s PHE 138 CO 0.29 0.42 0.79 -0.47 -0.05 0.00 0.00 175.22 176.20 3det s TYR 139 N -2.78 -0.88 0.00 3.49 6.14 0.71 -0.18 117.35 123.84 3det s TYR 139 Ca 0.34 1.78 0.00 0.00 0.64 0.00 0.00 57.07 59.83 3det s TYR 139 Cb 0.07 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.98 3det s TYR 139 CO 0.17 -0.44 0.00 -2.30 0.64 0.00 0.00 175.55 173.62 3det n PRO 140 N 4.04 0.23 0.00 4.97 -0.02 -1.26 -0.88 135.00 142.08 3det n PRO 140 Ca -0.19 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.38 3det n PRO 140 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.00 3det n PRO 140 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3det n LYS 141 N -0.73 1.11 -2.58 -0.52 2.85 -1.26 -4.79 118.16 112.24 3det n LYS 141 Ca 0.00 -0.35 -0.43 0.00 -1.05 0.00 0.00 58.31 56.48 3det n LYS 141 Cb 0.00 -1.38 -0.02 0.00 -0.65 0.00 0.00 35.03 32.98 3det n LYS 141 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3det s ASP 142 N -2.54 7.07 0.03 -5.58 1.01 -1.26 -5.00 116.67 110.41 3det s ASP 142 Ca 0.10 1.53 -0.12 0.00 0.71 0.00 0.00 52.55 54.78 3det s ASP 142 Cb 0.15 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3det s ASP 142 CO 0.66 -0.65 0.25 -0.51 0.21 0.00 0.00 175.17 175.12 3det s ILE 143 N 3.01 0.09 -0.25 0.77 2.07 -1.26 -4.53 121.20 121.09 3det s ILE 143 Ca 0.49 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 3det s ILE 143 Cb -0.18 -0.87 0.07 0.00 0.13 0.00 0.00 42.46 41.60 3det s ILE 143 CO 0.12 -0.42 -0.00 0.20 -1.91 0.00 0.00 174.94 172.93 3det s ASN 144 N -1.97 3.84 -0.11 4.50 0.01 0.18 -4.95 114.94 116.44 3det s ASN 144 Ca -0.06 -1.31 -0.07 0.00 -0.71 0.00 0.00 52.86 50.71 3det s ASN 144 Cb -0.02 -1.09 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 3det s ASN 144 CO -0.03 -0.29 0.16 0.54 -1.51 0.00 0.00 177.10 175.97 3det s VAL 145 N 1.45 5.48 -0.13 1.60 0.11 -1.24 -0.51 120.40 127.15 3det s VAL 145 Ca -0.01 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.21 3det s VAL 145 Cb -0.18 -3.42 0.06 0.00 -1.53 0.00 0.00 36.38 31.31 3det s VAL 145 CO -0.10 0.60 0.28 -0.75 -3.33 0.00 0.00 175.10 171.80 3det s LYS 146 N -1.08 0.19 -0.23 1.54 2.20 0.13 -4.93 119.74 117.55 3det s LYS 146 Ca 0.16 0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 56.38 3det s LYS 146 Cb -0.12 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3det s LYS 146 CO 0.05 -0.25 0.29 -1.58 -0.36 0.00 0.00 175.35 173.50 3det s TRP 147 N 2.19 3.32 -0.48 4.03 0.52 -1.26 0.04 118.94 127.30 3det s TRP 147 Ca -0.01 0.40 -0.01 0.00 0.02 0.00 0.00 56.10 56.49 3det s TRP 147 Cb -0.12 -2.43 0.13 0.00 -1.15 0.00 0.00 33.47 29.91 3det s TRP 147 CO -0.09 -0.03 0.27 0.15 0.02 0.00 0.00 176.95 177.27 3det s LYS 148 N 1.37 2.11 -0.30 4.98 1.02 -0.69 -0.44 119.74 127.79 3det s LYS 148 Ca 0.13 -2.16 -0.27 0.00 0.02 0.00 0.00 55.97 53.70 3det s LYS 148 Cb -0.15 -3.55 0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3det s LYS 148 CO 0.07 -1.09 0.96 0.42 -0.92 0.00 0.00 175.35 174.79 3det s ILE 149 N 0.55 4.64 -1.26 2.17 1.01 -0.56 -0.36 121.20 127.39 3det s ILE 149 Ca 0.12 1.56 -0.13 0.00 0.00 0.00 0.00 60.65 62.20 3det s ILE 149 Cb -0.22 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 3det s ILE 149 CO -0.04 -0.36 0.63 0.47 0.00 0.00 0.00 174.94 175.64 3det n ASP 150 N 6.56 -3.11 0.00 3.58 10.43 0.40 -0.71 116.55 133.71 3det n ASP 150 Ca 0.09 -1.04 0.00 0.00 2.57 0.00 0.00 54.79 56.41 3det n ASP 150 Cb 0.47 -3.09 0.00 0.00 1.84 0.00 0.00 41.12 40.34 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 -1.84 2.53 3.94 0.44 0.00 -1.26 -4.97 105.19 104.02 3det n GLY 151 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.30 5.90 0.15 1.61 0.15 0.11 -5.01 113.70 115.31 3det s SER 152 Ca 0.00 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 56.92 3det s SER 152 Cb 0.00 -1.70 -0.07 0.00 -1.71 0.00 0.00 66.02 62.54 3det s SER 152 CO 0.00 -0.69 0.60 -0.70 1.20 0.00 0.00 173.24 173.65 3det s GLU 153 N -4.61 4.10 -0.01 5.44 2.12 -1.26 -1.50 118.70 122.98 3det s GLU 153 Ca 0.48 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.48 3det s GLU 153 Cb -0.10 -2.99 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 3det s GLU 153 CO 0.39 0.49 -0.09 0.50 -0.54 0.00 0.00 175.26 176.02 3det s ARG 154 N -1.78 0.83 0.00 4.30 6.06 0.41 -4.86 118.95 123.91 3det s ARG 154 Ca 0.37 -0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.29 3det s ARG 154 Cb -0.16 -0.79 0.00 0.00 0.06 0.00 0.00 34.95 34.06 3det s ARG 154 CO 0.20 0.16 0.70 1.04 -2.50 0.00 0.00 175.30 174.90 3det n GLN 155 N 3.04 0.00 -4.86 5.12 6.02 -1.26 -4.06 117.38 121.38 3det n GLN 155 Ca -0.15 -0.67 -0.33 0.00 -0.01 0.00 0.00 57.00 55.84 3det n GLN 155 Cb 0.56 -0.44 -0.15 0.00 1.02 0.00 0.00 30.24 31.23 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 -0.46 3.85 -1.01 1.08 -0.87 -1.26 -4.57 114.94 111.71 3det s ASN 156 Ca 0.00 -0.36 -0.00 0.00 -1.57 0.00 0.00 52.86 50.93 3det s ASN 156 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 41.25 39.69 3det s ASN 156 CO 0.00 0.17 0.04 0.61 -2.57 0.00 0.00 177.10 175.36 3det n GLY 157 N 3.47 -0.11 3.54 0.66 0.00 -1.26 -4.67 105.19 106.82 3det n GLY 157 Ca -0.18 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.63 5.12 -0.11 1.61 1.01 -1.26 -1.45 120.40 122.68 3det s VAL 158 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3det s VAL 158 Cb -0.01 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3det s VAL 158 CO 0.03 0.17 -0.23 -0.76 0.00 0.00 0.00 175.10 174.31 3det s LEU 159 N 1.72 2.08 0.28 3.92 1.43 -0.72 -4.95 118.68 122.44 3det s LEU 159 Ca 0.06 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3det s LEU 159 Cb -0.16 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3det s LEU 159 CO 0.10 0.14 0.04 0.20 0.23 0.00 0.00 176.35 177.05 3det s ASN 160 N 0.44 4.65 -0.28 2.29 0.01 -1.26 -0.97 114.94 119.83 3det s ASN 160 Ca -0.17 -0.63 -0.14 0.00 -0.71 0.00 0.00 52.86 51.22 3det s ASN 160 Cb -0.17 -0.88 0.09 0.00 0.41 0.00 0.00 41.25 40.70 3det s ASN 160 CO 0.07 -0.05 0.66 -0.55 -1.51 0.00 0.00 177.10 175.72 3det s SER 161 N -3.72 -0.97 0.16 -1.22 0.15 -0.83 -5.00 113.70 102.28 3det s SER 161 Ca 0.32 1.49 0.07 0.00 0.70 0.00 0.00 55.95 58.53 3det s SER 161 Cb -0.06 1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 65.83 3det s SER 161 CO 0.21 -0.23 0.03 0.26 1.20 0.00 0.00 173.24 174.71 3det s TRP 162 N 2.01 2.93 0.55 3.44 0.51 -1.26 -1.82 118.94 125.30 3det s TRP 162 Ca -0.09 -0.10 -0.02 0.00 -2.12 0.00 0.00 56.10 53.77 3det s TRP 162 Cb -0.07 -1.42 0.11 0.00 -0.81 0.00 0.00 33.47 31.28 3det s TRP 162 CO -0.19 0.51 0.75 0.25 -0.51 0.00 0.00 176.95 177.77 3det n THR 163 N -0.10 0.00 -2.43 2.01 -2.24 -0.40 -4.98 114.28 106.14 3det n THR 163 Ca -0.09 -1.03 -0.25 0.00 -2.27 0.00 0.00 64.05 60.41 3det n THR 163 Cb 0.55 -1.16 0.12 0.00 -2.10 0.00 0.00 70.33 67.74 3det n THR 163 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3det s ASP 164 N -3.99 4.17 0.33 3.42 -0.00 -1.26 -4.72 116.67 114.62 3det s ASP 164 Ca 0.48 -0.17 -0.29 0.00 -0.00 0.00 0.00 52.55 52.57 3det s ASP 164 Cb -0.02 -0.18 -0.11 0.00 -0.00 0.00 0.00 42.92 42.61 3det s ASP 164 CO 0.32 -1.99 1.46 -1.58 -0.00 0.00 0.00 175.17 173.38 3det s GLN 165 N -5.28 4.19 0.25 8.23 0.74 -1.26 -4.70 119.66 121.82 3det s GLN 165 Ca 0.67 2.45 -0.30 0.00 0.05 0.00 0.00 55.36 58.23 3det s GLN 165 Cb -0.06 -3.02 -0.09 0.00 1.10 0.00 0.00 33.01 30.94 3det s GLN 165 CO 0.46 -0.46 0.99 0.34 -0.55 0.00 0.00 175.29 176.08 3det s ASP 166 N -0.02 7.52 0.50 6.67 -1.08 -0.95 -4.92 116.67 124.39 3det s ASP 166 Ca 0.55 2.05 0.32 0.00 -0.52 0.00 0.00 52.55 54.95 3det s ASP 166 Cb -0.44 -2.61 1.32 0.00 -1.46 0.00 0.00 42.92 39.72 3det s ASP 166 CO 0.55 0.06 1.94 0.28 0.52 0.00 0.00 175.17 178.52 3det h SER 167 N 4.10 0.00 0.00 -0.34 0.02 -1.92 -1.33 113.55 114.09 3det h SER 167 Ca -0.45 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.30 3det h SER 167 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 3det h SER 167 CO 0.68 0.00 -1.73 0.29 -1.14 0.00 0.00 176.83 174.93 3det n LYS 168 N -2.93 0.55 0.00 3.45 4.01 -1.26 -3.13 118.16 118.84 3det n LYS 168 Ca 0.01 0.07 0.09 0.00 -0.51 0.00 0.00 58.31 57.96 3det n LYS 168 Cb 0.29 -1.26 -0.07 0.00 -0.51 0.00 0.00 35.03 33.48 3det n LYS 168 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3det n ASP 169 N -2.82 1.13 -1.68 4.39 5.68 -1.25 -4.79 116.55 117.20 3det n ASP 169 Ca -0.22 -1.06 -0.18 0.00 -0.50 0.00 0.00 54.79 52.83 3det n ASP 169 Cb 0.75 0.84 -0.05 0.00 -1.14 0.00 0.00 41.12 41.52 3det n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3det n SER 170 N -1.00 -5.22 -4.96 -1.12 7.64 -0.50 -4.93 113.62 103.53 3det n SER 170 Ca 0.05 0.24 -0.19 0.00 1.01 0.00 0.00 58.87 59.98 3det n SER 170 Cb 0.31 -4.30 -0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -2.77 2.80 0.28 0.44 -4.23 -1.26 -4.63 115.64 106.28 3det s THR 171 Ca 0.00 -1.14 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 3det s THR 171 Cb 0.00 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 3det s THR 171 CO 0.00 0.00 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.75 3det s TYR 172 N -2.42 2.62 0.06 3.99 1.51 0.75 -2.25 117.35 121.61 3det s TYR 172 Ca 0.52 -0.27 -0.05 0.00 -1.01 0.00 0.00 57.07 56.26 3det s TYR 172 Cb -0.07 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3det s TYR 172 CO 0.31 0.60 0.07 -1.12 -1.11 0.00 0.00 175.55 174.30 3det s SER 173 N -3.67 0.30 0.05 2.29 0.01 -1.26 -0.80 113.70 110.61 3det s SER 173 Ca 0.32 -0.78 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 3det s SER 173 Cb -0.05 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.45 3det s SER 173 CO 0.19 -0.63 0.29 -0.32 0.41 0.00 0.00 173.24 173.18 3det s MET 174 N -3.63 0.80 -0.01 12.44 1.75 -0.35 -1.27 119.30 129.03 3det s MET 174 Ca 0.04 -0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 53.92 3det s MET 174 Cb 0.05 0.34 -0.00 0.00 2.84 0.00 0.00 34.83 38.06 3det s MET 174 CO -0.09 -0.25 0.03 -1.54 -0.65 0.00 0.00 175.02 172.51 3det s SER 175 N -2.11 0.02 -0.07 1.11 1.04 -0.76 0.22 113.70 113.15 3det s SER 175 Ca -0.04 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.35 3det s SER 175 Cb -0.01 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3det s SER 175 CO -0.04 -0.09 -0.10 -0.55 0.98 0.00 0.00 173.24 173.44 3det s SER 176 N -0.33 1.73 -0.23 7.02 0.15 -0.64 -1.97 113.70 119.43 3det s SER 176 Ca -0.04 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.34 3det s SER 176 Cb -0.02 -0.78 0.06 0.00 -1.71 0.00 0.00 66.02 63.57 3det s SER 176 CO -0.00 -0.00 -0.05 -0.89 1.20 0.00 0.00 173.24 173.50 3det s THR 177 N 0.86 1.46 -0.27 6.45 2.01 -0.14 -0.93 115.64 125.07 3det s THR 177 Ca -0.11 -1.17 -0.17 0.00 0.31 0.00 0.00 61.69 60.55 3det s THR 177 Cb -0.15 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3det s THR 177 CO 0.01 -0.10 0.47 -0.22 -0.69 0.00 0.00 174.62 174.09 3det s LEU 178 N 1.43 4.08 -0.20 4.42 2.96 -0.39 -1.75 118.68 129.23 3det s LEU 178 Ca -0.05 0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 3det s LEU 178 Cb -0.19 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 3det s LEU 178 CO -0.06 -0.28 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.79 3det s THR 179 N 2.24 3.87 0.39 3.68 2.01 -0.53 -0.50 115.64 126.80 3det s THR 179 Ca 0.19 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.89 3det s THR 179 Cb -0.16 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 3det s THR 179 CO 0.10 0.43 0.15 -0.76 -0.69 0.00 0.00 174.62 173.85 3det s LEU 180 N 1.01 1.95 0.36 4.42 1.43 0.37 -4.74 118.68 123.47 3det s LEU 180 Ca 0.01 -1.68 -0.03 0.00 -1.03 0.00 0.00 54.13 51.40 3det s LEU 180 Cb -0.14 -0.00 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 3det s LEU 180 CO 0.01 -0.95 0.61 0.42 0.23 0.00 0.00 176.35 176.67 3det s THR 181 N -3.26 5.02 0.35 5.49 -4.23 -1.26 -0.32 115.64 117.43 3det s THR 181 Ca 0.26 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3det s THR 181 Cb 0.03 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.38 3det s THR 181 CO 0.16 -0.53 1.86 0.50 -0.54 0.00 0.00 174.62 176.07 3det h LYS 182 N 1.00 0.67 0.03 3.99 3.64 0.81 -0.85 116.57 125.85 3det h LYS 182 Ca -0.48 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3det h LYS 182 Cb 1.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3det h LYS 182 CO 0.63 0.44 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.80 3det h ASP 183 N 0.69 -0.03 -0.43 4.20 3.45 -1.94 -2.82 116.42 119.54 3det h ASP 183 Ca 0.46 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3det h ASP 183 Cb 0.76 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.52 3det h ASP 183 CO -0.22 0.27 0.28 -0.08 -1.57 0.00 0.00 179.24 177.93 3det h GLU 184 N -0.34 0.58 -0.96 3.56 4.57 -1.59 -2.07 114.58 118.33 3det h GLU 184 Ca -0.00 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3det h GLU 184 Cb 0.32 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3det h GLU 184 CO 0.01 0.39 0.63 -0.92 -1.18 0.00 0.00 179.01 177.94 3det h TYR 185 N 0.59 1.18 -0.10 0.92 3.20 -1.28 -3.09 116.97 118.39 3det h TYR 185 Ca 0.16 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 3det h TYR 185 Cb -0.05 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.81 3det h TYR 185 CO -0.04 0.70 -0.57 0.93 -1.64 0.00 0.00 178.16 177.53 3det h GLU 186 N 1.23 0.31 -0.76 1.82 5.08 -1.11 -3.06 114.58 118.09 3det h GLU 186 Ca 0.38 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3det h GLU 186 Cb -0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3det h GLU 186 CO -0.11 0.79 0.00 2.89 -1.00 0.00 0.00 179.01 181.58 3det n ARG 187 N -3.91 0.90 -3.12 2.33 1.85 -1.01 -4.75 116.66 108.95 3det n ARG 187 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.72 3det n ARG 187 Cb 0.60 -1.38 -0.04 0.00 -1.05 0.00 0.00 32.46 30.60 3det n ARG 187 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3det n HIS 188 N -0.04 -0.12 0.00 2.89 8.25 -1.16 -5.10 115.22 119.94 3det n HIS 188 Ca 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 3det n HIS 188 Cb 0.19 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3det n HIS 188 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3det n ASN 189 N -2.04 0.00 -4.53 0.41 4.05 -1.26 -4.84 115.26 107.04 3det n ASN 189 Ca -0.00 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.65 3det n ASN 189 Cb 0.29 0.04 -0.12 0.00 1.23 0.00 0.00 39.78 41.23 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 -4.21 5.69 -0.04 1.20 0.15 -1.26 -0.56 113.70 114.67 3det s SER 190 Ca 0.00 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.58 3det s SER 190 Cb 0.00 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 3det s SER 190 CO 0.00 -0.06 -0.19 -0.31 1.20 0.00 0.00 173.24 173.88 3det s TYR 191 N 1.70 2.55 0.13 3.44 1.51 -0.85 0.15 117.35 125.98 3det s TYR 191 Ca 0.07 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3det s TYR 191 Cb -0.16 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 3det s TYR 191 CO 0.08 0.08 -0.05 0.95 -1.11 0.00 0.00 175.55 175.50 3det s THR 192 N -0.65 0.74 -0.15 -0.71 -4.23 0.51 -1.90 115.64 109.24 3det s THR 192 Ca 0.10 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3det s THR 192 Cb -0.11 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.92 3det s THR 192 CO 0.00 -0.74 -0.16 0.00 -0.54 0.00 0.00 174.62 173.18 3det s GLU 194 N 1.40 3.59 -0.17 0.00 2.02 0.11 -2.77 118.70 122.87 3det s GLU 194 Ca 0.04 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.52 3det s GLU 194 Cb -0.13 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 30.94 3det s GLU 194 CO -0.11 -0.12 -0.20 0.00 0.02 0.00 0.00 175.26 174.85 3det s ALA 195 N 1.37 2.32 -0.11 5.21 0.00 0.72 0.23 121.76 131.51 3det s ALA 195 Ca 0.05 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.86 3det s ALA 195 Cb -0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3det s ALA 195 CO 0.01 -0.23 -0.17 0.99 0.00 0.00 0.00 175.76 176.37 3det s THR 196 N 1.11 2.76 -0.00 0.00 2.01 0.33 -0.48 115.64 121.36 3det s THR 196 Ca 0.00 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 3det s THR 196 Cb -0.14 -2.12 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 3det s THR 196 CO -0.08 0.54 0.10 -2.28 -0.69 0.00 0.00 174.62 172.21 3det s HIS 197 N 0.17 0.05 0.34 4.92 2.46 -1.26 -0.65 115.29 121.32 3det s HIS 197 Ca -0.09 -0.12 0.28 0.00 0.47 0.00 0.00 55.06 55.60 3det s HIS 197 Cb -0.16 -0.06 1.13 0.00 -0.13 0.00 0.00 32.58 33.37 3det s HIS 197 CO 0.06 -0.22 1.12 1.17 -2.47 0.00 0.00 174.74 174.39 3det n LYS 198 N 1.81 -0.02 0.00 2.88 4.81 -1.26 -1.75 118.16 124.64 3det n LYS 198 Ca -0.21 0.86 0.04 0.00 -0.87 0.00 0.00 58.31 58.13 3det n LYS 198 Cb 0.56 -1.78 0.27 0.00 0.02 0.00 0.00 35.03 34.10 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 -3.86 0.00 -3.59 3.15 -2.24 -1.26 -4.76 114.28 101.71 3det n THR 199 Ca 0.30 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.94 3det n THR 199 Cb 1.24 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.53 -0.65 -0.15 3.42 0.15 -0.72 -4.99 113.70 109.23 3det s SER 200 Ca 0.13 1.05 0.01 0.00 0.70 0.00 0.00 55.95 57.84 3det s SER 200 Cb 0.06 1.00 -0.23 0.00 -1.71 0.00 0.00 66.02 65.14 3det s SER 200 CO 0.10 -0.35 0.22 0.35 1.20 0.00 0.00 173.24 174.76 3det n THR 201 N 1.90 1.64 -3.48 6.45 -2.24 -1.26 -4.59 114.28 112.70 3det n THR 201 Ca -0.15 -0.67 -0.38 0.00 -2.27 0.00 0.00 64.05 60.57 3det n THR 201 Cb 0.56 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 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 -6.61 6.20 0.57 3.42 1.04 -1.26 -5.06 113.70 112.00 3det s SER 202 Ca -0.22 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 3det s SER 202 Cb 0.07 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 3det s SER 202 CO 0.74 -0.10 1.04 -0.81 0.98 0.00 0.00 173.24 175.09 3det n PRO 203 N 5.01 1.09 -3.17 4.02 -0.04 -1.26 -4.95 135.00 135.70 3det n PRO 203 Ca -0.11 0.41 -0.40 0.00 -0.04 0.00 0.00 63.50 63.37 3det n PRO 203 Cb 0.51 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.44 5.06 -0.04 0.52 1.01 0.37 -4.88 121.20 121.80 3det s ILE 204 Ca 0.74 1.10 0.05 0.00 0.00 0.00 0.00 60.65 62.53 3det s ILE 204 Cb -0.43 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3det s ILE 204 CO 0.49 0.15 -0.19 0.68 0.00 0.00 0.00 174.94 176.06 3det s VAL 205 N 1.74 1.56 0.17 2.92 -7.23 -1.26 -0.20 120.40 118.10 3det s VAL 205 Ca 0.27 -0.80 0.11 0.00 -1.81 0.00 0.00 61.98 59.75 3det s VAL 205 Cb -0.16 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3det s VAL 205 CO 0.10 0.44 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.57 3det s LYS 206 N -0.11 1.57 0.30 4.82 -0.14 -1.12 -4.97 119.74 120.09 3det s LYS 206 Ca -0.01 -1.42 -0.20 0.00 -1.36 0.00 0.00 55.97 52.98 3det s LYS 206 Cb -0.11 -1.92 0.03 0.00 -1.68 0.00 0.00 37.83 34.16 3det s LYS 206 CO 0.02 0.42 0.76 -1.54 -0.76 0.00 0.00 175.35 174.25 3det s SER 207 N -2.48 -0.18 0.09 2.83 1.04 -1.26 -1.20 113.70 112.53 3det s SER 207 Ca 0.19 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 3det s SER 207 Cb -0.09 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3det s SER 207 CO 0.09 -1.41 0.32 0.72 0.98 0.00 0.00 173.24 173.95 3det s PHE 208 N -3.42 -0.09 -0.07 5.02 -0.12 -0.80 -5.01 117.98 113.50 3det s PHE 208 Ca 0.12 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 3det s PHE 208 Cb -0.05 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 3det s PHE 208 CO 0.08 -0.60 -0.13 -0.80 -0.05 0.00 0.00 175.22 173.72 3det s ASN 209 N -2.55 4.07 0.25 1.98 0.01 -1.25 -2.01 114.94 115.44 3det s ASN 209 Ca 0.01 -0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.90 3det s ASN 209 Cb 0.02 -1.02 0.32 0.00 0.41 0.00 0.00 41.25 40.98 3det s ASN 209 CO -0.09 0.31 1.89 0.03 -1.51 0.00 0.00 177.10 177.74 3det h ARG 210 N 5.61 1.14 0.00 -0.60 3.08 -1.16 -3.49 114.38 118.96 3det h ARG 210 Ca -0.42 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3det h ARG 210 Cb 1.17 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3det h ARG 210 CO 0.51 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 180.17