#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gur s MET 2 N 0.00 2.50 -0.13 -0.52 -1.94 -0.31 -4.78 119.30 114.11 3gur s MET 2 Ca 0.00 1.42 0.00 0.00 -1.71 0.00 0.00 55.69 55.40 3gur s MET 2 Cb 0.00 -1.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 3gur s MET 2 CO 0.00 -1.49 -0.14 0.99 -0.01 0.00 0.00 175.02 174.37 3gur s THR 3 N -2.40 2.87 -0.23 2.05 2.01 -0.52 -0.20 115.64 119.21 3gur s THR 3 Ca 0.67 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 3gur s THR 3 Cb -0.21 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3gur s THR 3 CO 0.46 0.52 0.00 -0.22 -0.69 0.00 0.00 174.62 174.69 3gur s LEU 4 N 0.48 3.12 -0.17 4.42 2.96 -0.23 -1.11 118.68 128.15 3gur s LEU 4 Ca -0.10 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3gur s LEU 4 Cb -0.16 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3gur s LEU 4 CO 0.05 -0.02 0.03 -0.83 -1.32 0.00 0.00 176.35 174.25 3gur s GLY 5 N 1.50 1.85 0.12 7.98 0.00 0.36 -1.35 107.32 117.77 3gur s GLY 5 Ca 0.06 -0.77 -0.26 0.00 0.00 0.00 0.00 44.72 43.75 3gur s GLY 5 CO -0.00 -0.04 0.95 -0.47 0.00 0.00 0.00 173.10 173.54 3gur s TYR 6 N 0.24 -0.17 0.80 1.90 5.04 -0.86 -1.26 117.35 123.04 3gur s TYR 6 Ca 0.02 -0.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.42 3gur s TYR 6 Cb -0.13 0.62 0.06 0.00 0.35 0.00 0.00 41.96 42.86 3gur s TYR 6 CO 0.01 -0.75 1.07 0.91 -1.34 0.00 0.00 175.55 175.45 3gur n TRP 7 N -0.42 0.86 -1.25 4.97 7.02 -1.26 -0.87 117.44 126.48 3gur n TRP 7 Ca -0.07 0.39 -0.33 0.00 -1.02 0.00 0.00 57.50 56.47 3gur n TRP 7 Cb 0.61 -2.07 -0.06 0.00 -2.42 0.00 0.00 31.31 27.37 3gur n TRP 7 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3gur n ASN 8 N -2.74 7.95 -3.69 -0.99 5.15 0.12 -4.63 115.26 116.42 3gur n ASN 8 Ca 0.13 -2.56 -0.17 0.00 -0.60 0.00 0.00 54.58 51.37 3gur n ASN 8 Cb 0.50 -1.52 -0.09 0.00 -0.53 0.00 0.00 39.78 38.14 3gur n ASN 8 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gur s ILE 9 N 1.82 0.06 0.00 -1.44 -4.36 -1.26 -4.67 121.20 111.34 3gur s ILE 9 Ca 0.69 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3gur s ILE 9 Cb 0.21 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.43 3gur s ILE 9 CO -0.05 0.00 0.54 -1.14 0.24 0.00 0.00 174.94 174.53 3gur n ARG 10 N -0.53 0.00 0.00 0.37 0.63 0.31 -4.80 116.66 112.64 3gur n ARG 10 Ca 0.05 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3gur n ARG 10 Cb 0.64 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.51 3gur n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gur n GLY 11 N -0.64 1.79 0.00 5.14 0.00 0.33 -2.23 105.19 109.58 3gur n GLY 11 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3gur n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gur n LEU 12 N 0.00 0.00 -0.07 0.99 4.77 -1.26 -3.49 117.00 117.94 3gur n LEU 12 Ca 0.00 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3gur n LEU 12 Cb 0.00 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.18 3gur n LEU 12 CO 0.00 -0.07 0.61 0.00 -1.33 0.00 0.00 177.39 176.60 3gur n ALA 13 N -1.28 3.20 0.41 -1.18 0.00 -0.95 -4.46 120.51 116.25 3gur n ALA 13 Ca 0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 3gur n ALA 13 Cb 0.18 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 3gur n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gur h HIS 14 N 0.36 -0.99 -0.77 0.00 6.17 -1.58 -0.31 115.15 118.03 3gur h HIS 14 Ca 0.00 -0.02 0.08 0.00 0.71 0.00 0.00 60.37 61.14 3gur h HIS 14 Cb 0.48 0.33 -0.05 0.00 2.52 0.00 0.00 27.41 30.69 3gur h HIS 14 CO 0.00 -0.60 0.50 0.77 0.71 0.00 0.00 177.93 179.31 3gur h SER 15 N -1.03 0.66 -0.03 3.26 0.02 -1.80 -1.83 113.55 112.81 3gur h SER 15 Ca -0.10 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3gur h SER 15 Cb 0.80 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3gur h SER 15 CO 0.16 0.41 -0.01 0.40 -1.14 0.00 0.00 176.83 176.65 3gur h ILE 16 N 0.74 1.29 -0.61 3.27 2.04 -1.67 -0.94 117.51 121.64 3gur h ILE 16 Ca 0.35 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3gur h ILE 16 Cb 0.37 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3gur h ILE 16 CO -0.13 0.23 0.17 0.03 0.00 0.00 0.00 178.15 178.46 3gur h ARG 17 N -0.30 0.93 -0.35 2.37 3.08 -0.79 0.43 114.38 119.73 3gur h ARG 17 Ca 0.01 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 3gur h ARG 17 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3gur h ARG 17 CO 0.00 0.81 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.43 3gur h LEU 18 N 0.89 0.69 -0.10 3.04 3.38 -1.28 -1.88 115.31 120.05 3gur h LEU 18 Ca 0.20 -0.23 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 3gur h LEU 18 Cb 0.28 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gur h LEU 18 CO -0.01 0.89 -0.82 0.25 0.09 0.00 0.00 178.44 178.85 3gur h LEU 19 N 0.60 0.90 -0.83 1.67 5.85 -0.42 -0.87 115.31 122.21 3gur h LEU 19 Ca 0.09 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.23 3gur h LEU 19 Cb 0.69 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3gur h LEU 19 CO 0.05 1.43 0.49 -0.07 -0.34 0.00 0.00 178.44 180.00 3gur h LEU 20 N 0.44 0.73 -0.04 2.25 3.38 -0.90 -2.05 115.31 119.12 3gur h LEU 20 Ca -0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3gur h LEU 20 Cb 1.46 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3gur h LEU 20 CO 0.17 0.43 -0.02 -0.33 0.09 0.00 0.00 178.44 178.78 3gur h GLU 21 N 0.85 0.08 -0.75 1.13 4.39 -1.14 -1.55 114.58 117.59 3gur h GLU 21 Ca 0.39 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.20 3gur h GLU 21 Cb 0.30 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 3gur h GLU 21 CO -0.22 0.49 0.50 -0.92 -1.16 0.00 0.00 179.01 177.70 3gur h TYR 22 N -0.34 0.46 -0.38 4.33 3.20 -1.05 -2.48 116.97 120.71 3gur h TYR 22 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3gur h TYR 22 Cb 0.47 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3gur h TYR 22 CO 0.07 0.18 0.00 0.25 -1.64 0.00 0.00 178.16 177.02 3gur n THR 23 N -4.47 0.50 -2.22 1.81 -2.24 -0.78 -4.93 114.28 101.95 3gur n THR 23 Ca 0.14 -0.60 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 3gur n THR 23 Cb 0.54 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3gur n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gur n ASP 24 N 0.94 -5.79 -4.77 3.42 8.00 -0.94 -4.94 116.55 112.48 3gur n ASP 24 Ca 0.18 0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.39 3gur n ASP 24 Cb 0.45 -4.89 -0.02 0.00 -0.02 0.00 0.00 41.12 36.65 3gur n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gur s SER 25 N -2.21 6.54 -0.43 -2.24 0.01 -0.60 -4.98 113.70 109.78 3gur s SER 25 Ca 0.00 2.53 -0.24 0.00 1.31 0.00 0.00 55.95 59.55 3gur s SER 25 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 3gur s SER 25 CO 0.00 -0.68 0.83 -0.55 0.41 0.00 0.00 173.24 173.24 3gur s SER 26 N -0.84 6.47 0.01 2.44 0.15 -1.26 -4.84 113.70 115.83 3gur s SER 26 Ca 0.55 0.06 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 3gur s SER 26 Cb -0.35 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.54 3gur s SER 26 CO 0.46 -0.91 0.04 -0.72 1.20 0.00 0.00 173.24 173.31 3gur s TYR 27 N 3.38 0.14 0.24 3.44 1.13 -1.26 -1.16 117.35 123.26 3gur s TYR 27 Ca 0.32 -0.30 0.10 0.00 -1.41 0.00 0.00 57.07 55.79 3gur s TYR 27 Cb -0.12 -0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.59 3gur s TYR 27 CO 0.22 -0.21 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.94 3gur s GLU 28 N -1.26 1.96 -0.08 -3.49 2.12 0.72 -4.88 118.70 113.79 3gur s GLU 28 Ca -0.14 -1.50 0.02 0.00 0.36 0.00 0.00 54.97 53.71 3gur s GLU 28 Cb -0.08 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.32 3gur s GLU 28 CO 0.00 0.38 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.76 3gur s GLU 29 N -3.30 1.83 -0.50 4.30 2.02 -1.26 -1.07 118.70 120.73 3gur s GLU 29 Ca 0.28 -0.44 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 3gur s GLU 29 Cb -0.07 -1.56 0.08 0.00 0.10 0.00 0.00 34.13 32.68 3gur s GLU 29 CO 0.16 -0.02 0.49 0.21 0.02 0.00 0.00 175.26 176.11 3gur s LYS 30 N 0.85 3.02 -0.21 1.61 2.47 -0.46 -4.96 119.74 122.08 3gur s LYS 30 Ca -0.11 -1.27 -0.11 0.00 -1.56 0.00 0.00 55.97 52.93 3gur s LYS 30 Cb -0.15 -4.15 -0.05 0.00 -1.46 0.00 0.00 37.83 32.02 3gur s LYS 30 CO 0.01 -1.15 0.17 0.15 0.16 0.00 0.00 175.35 174.70 3gur s LYS 31 N 1.96 4.17 -0.03 4.03 1.02 -1.26 -2.03 119.74 127.60 3gur s LYS 31 Ca 0.07 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 3gur s LYS 31 Cb -0.24 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 3gur s LYS 31 CO 0.08 0.21 0.13 0.71 -0.92 0.00 0.00 175.35 175.56 3gur s TYR 32 N 0.61 3.44 -0.15 3.18 1.51 -0.05 -4.86 117.35 121.03 3gur s TYR 32 Ca 0.09 0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 3gur s TYR 32 Cb -0.12 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 3gur s TYR 32 CO 0.01 0.62 -0.02 0.99 -1.11 0.00 0.00 175.55 176.03 3gur s THR 33 N -1.21 4.02 0.23 -0.71 2.01 -1.26 -0.70 115.64 118.01 3gur s THR 33 Ca 0.23 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 3gur s THR 33 Cb -0.12 -2.76 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 3gur s THR 33 CO 0.14 0.50 0.64 -0.32 -0.69 0.00 0.00 174.62 174.89 3gur s MET 34 N 0.26 4.01 0.74 4.92 1.75 -1.26 -4.76 119.30 124.97 3gur s MET 34 Ca -0.02 0.59 -0.11 0.00 -1.25 0.00 0.00 55.69 54.89 3gur s MET 34 Cb -0.14 -2.72 0.04 0.00 2.84 0.00 0.00 34.83 34.85 3gur s MET 34 CO 0.03 0.33 1.09 0.20 -0.65 0.00 0.00 175.02 176.02 3gur s GLY 35 N -1.99 1.63 0.76 2.11 0.00 -0.36 -4.95 107.32 104.52 3gur s GLY 35 Ca 0.46 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 3gur s GLY 35 CO 0.19 0.15 1.10 0.99 0.00 0.00 0.00 173.10 175.54 3gur s ASP 36 N -4.10 4.49 0.56 1.64 1.01 -1.26 -3.95 116.67 115.06 3gur s ASP 36 Ca 0.59 1.91 -0.20 0.00 0.71 0.00 0.00 52.55 55.56 3gur s ASP 36 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3gur s ASP 36 CO 0.53 -2.05 1.25 0.00 0.21 0.00 0.00 175.17 175.12 3gur s ALA 37 N -2.74 2.68 -2.54 5.23 0.00 -1.26 -1.54 121.76 121.59 3gur s ALA 37 Ca 0.63 1.11 0.22 0.00 0.00 0.00 0.00 51.96 53.93 3gur s ALA 37 Cb -0.19 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.57 3gur s ALA 37 CO 0.53 -1.18 1.16 -0.35 0.00 0.00 0.00 175.76 175.91 3gur n PRO 38 N -1.26 1.88 -0.00 0.00 -0.04 -1.26 -4.81 135.00 129.51 3gur n PRO 38 Ca 0.12 -1.59 0.01 0.00 -0.04 0.00 0.00 63.50 62.00 3gur n PRO 38 Cb 0.48 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 3gur n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gur n ASP 39 N 0.90 4.63 -2.92 3.54 5.75 -1.22 -5.01 116.55 122.22 3gur n ASP 39 Ca 0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.72 3gur n ASP 39 Cb 0.52 1.06 0.06 0.00 -1.03 0.00 0.00 41.12 41.74 3gur n ASP 39 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3gur n TYR 40 N -1.57 -2.15 -1.66 2.11 4.01 -0.59 -4.72 117.16 112.59 3gur n TYR 40 Ca -0.00 0.78 -0.60 0.00 -0.16 0.00 0.00 57.90 57.92 3gur n TYR 40 Cb 0.06 -4.22 -0.08 0.00 -0.31 0.00 0.00 39.34 34.79 3gur n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3gur n ASP 41 N -2.17 1.48 -0.53 7.72 2.03 -1.26 -4.46 116.55 119.36 3gur n ASP 41 Ca -0.04 1.13 0.06 0.00 0.52 0.00 0.00 54.79 56.46 3gur n ASP 41 Cb 0.57 -1.04 0.15 0.00 -0.72 0.00 0.00 41.12 40.08 3gur n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gur n ARG 42 N 3.75 2.76 -0.31 -0.67 1.74 -1.26 -1.23 116.66 121.44 3gur n ARG 42 Ca 0.25 -2.21 0.08 0.00 -0.77 0.00 0.00 57.85 55.21 3gur n ARG 42 Cb 0.08 -1.39 0.24 0.00 -1.02 0.00 0.00 32.46 30.37 3gur n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gur h SER 43 N 1.39 0.58 -0.76 0.55 4.64 -1.90 -0.45 113.55 117.60 3gur h SER 43 Ca 0.00 0.09 0.17 0.00 -0.47 0.00 0.00 61.79 61.58 3gur h SER 43 Cb 0.90 -0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.85 3gur h SER 43 CO 0.06 0.23 -0.08 1.56 -0.87 0.00 0.00 176.83 177.73 3gur h GLN 44 N 0.65 0.05 0.04 4.77 4.20 -1.87 0.12 115.11 123.07 3gur h GLN 44 Ca 0.49 -0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.94 3gur h GLN 44 Cb 0.70 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.49 3gur h GLN 44 CO -0.37 0.03 -1.06 2.35 -0.67 0.00 0.00 178.83 179.11 3gur h TRP 45 N 0.05 0.76 0.00 2.96 -0.00 -1.45 -3.36 115.95 114.90 3gur h TRP 45 Ca 0.39 -0.44 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 3gur h TRP 45 Cb 0.66 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.75 3gur h TRP 45 CO -0.50 1.28 -0.04 -0.07 -0.00 0.00 0.00 178.44 179.11 3gur h LEU 46 N 0.25 0.00 -1.06 0.65 4.07 0.12 -0.25 115.31 119.09 3gur h LEU 46 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3gur h LEU 46 Cb 1.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.46 3gur h LEU 46 CO 0.19 0.04 -0.06 0.59 -1.08 0.00 0.00 178.44 178.12 3gur n ASN 47 N -3.12 1.70 0.00 -0.43 3.02 0.20 -3.94 115.26 112.70 3gur n ASN 47 Ca 0.03 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 3gur n ASN 47 Cb 0.47 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3gur n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3gur n GLU 48 N 0.24 2.45 -0.30 3.52 2.13 -0.95 -4.85 120.64 122.87 3gur n GLU 48 Ca 0.17 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.06 3gur n GLU 48 Cb 0.40 -0.76 0.24 0.00 0.27 0.00 0.00 31.44 31.59 3gur n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3gur h LYS 49 N 0.00 0.60 -0.54 5.31 3.64 -1.18 -1.50 116.57 122.91 3gur h LYS 49 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gur h LYS 49 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3gur h LYS 49 CO 0.00 0.40 0.00 1.19 -2.27 0.00 0.00 179.45 178.77 3gur n PHE 50 N -4.87 1.55 -1.06 1.91 3.72 -1.26 -4.34 117.46 113.10 3gur n PHE 50 Ca 0.18 -0.70 0.10 0.00 -0.05 0.00 0.00 57.45 56.98 3gur n PHE 50 Cb 0.45 -0.34 0.16 0.00 -0.94 0.00 0.00 39.48 38.81 3gur n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gur n LYS 51 N 0.61 1.54 0.00 -1.08 5.02 -0.57 -4.63 118.16 119.06 3gur n LYS 51 Ca 0.25 -2.63 0.04 0.00 -2.02 0.00 0.00 58.31 53.95 3gur n LYS 51 Cb 0.98 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 34.45 3gur n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gur n LEU 52 N -1.29 1.24 0.00 -0.35 4.77 -1.25 -5.00 117.00 115.12 3gur n LEU 52 Ca 0.17 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3gur n LEU 52 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3gur n LEU 52 CO 0.03 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3gur n GLY 53 N 0.64 0.38 3.75 -0.72 0.00 -1.26 -5.02 105.19 102.95 3gur n GLY 53 Ca 0.03 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 3gur n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gur s LEU 54 N 0.00 4.41 0.24 0.99 1.43 -1.26 -4.97 118.68 119.52 3gur s LEU 54 Ca 0.00 1.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 3gur s LEU 54 Cb 0.00 -3.07 0.22 0.00 0.03 0.00 0.00 46.19 43.38 3gur s LEU 54 CO 0.00 0.03 1.88 0.44 0.23 0.00 0.00 176.35 178.93 3gur h ASP 55 N 5.85 1.13 -2.89 2.29 3.32 -1.96 -3.33 116.42 120.83 3gur h ASP 55 Ca -0.44 -0.07 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 3gur h ASP 55 Cb 1.20 -0.28 -0.39 0.00 0.22 0.00 0.00 39.33 40.07 3gur h ASP 55 CO 0.71 0.87 -0.81 -0.36 -1.72 0.00 0.00 179.24 177.93 3gur s PHE 56 N -5.95 1.66 0.03 4.55 0.40 -1.26 -5.11 117.98 112.31 3gur s PHE 56 Ca -0.13 -2.35 -0.37 0.00 -0.60 0.00 0.00 56.93 53.48 3gur s PHE 56 Cb 0.17 -1.49 -0.16 0.00 0.51 0.00 0.00 43.02 42.05 3gur s PHE 56 CO 0.82 -0.77 1.41 -2.30 0.70 0.00 0.00 175.22 175.08 3gur n PRO 57 N 3.20 1.19 -3.71 0.24 -0.02 -1.25 -4.83 135.00 129.83 3gur n PRO 57 Ca 0.18 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 3gur n PRO 57 Cb 0.39 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3gur n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gur s ASN 58 N 0.99 -0.23 -0.08 2.55 3.84 -1.26 -5.11 114.94 115.64 3gur s ASN 58 Ca 0.86 -0.34 0.03 0.00 0.21 0.00 0.00 52.86 53.63 3gur s ASN 58 Cb -0.96 0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.24 3gur s ASN 58 CO 0.49 -0.89 -0.17 -0.76 -2.79 0.00 0.00 177.10 172.99 3gur s LEU 59 N -2.86 1.82 0.57 3.21 1.43 -1.26 -3.90 118.68 117.70 3gur s LEU 59 Ca 0.11 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 3gur s LEU 59 Cb -0.02 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 3gur s LEU 59 CO 0.00 0.08 1.02 -2.16 0.23 0.00 0.00 176.35 175.52 3gur s PRO 60 N 0.55 3.66 0.12 1.29 0.04 -1.26 -4.92 135.00 134.47 3gur s PRO 60 Ca -0.16 0.93 0.08 0.00 0.04 0.00 0.00 61.00 61.89 3gur s PRO 60 Cb -0.17 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3gur s PRO 60 CO 0.06 -0.52 -0.20 1.52 0.04 0.00 0.00 177.00 177.90 3gur s TYR 61 N -2.80 1.75 -0.09 0.56 -0.85 -0.39 -3.68 117.35 111.86 3gur s TYR 61 Ca 0.58 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.72 3gur s TYR 61 Cb -0.12 -0.94 0.01 0.00 0.38 0.00 0.00 41.96 41.30 3gur s TYR 61 CO 0.41 0.23 -0.18 -1.17 -1.52 0.00 0.00 175.55 173.32 3gur s LEU 62 N -2.11 1.85 -0.41 -3.49 2.96 0.64 -0.49 118.68 117.62 3gur s LEU 62 Ca 0.08 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 3gur s LEU 62 Cb -0.09 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.53 3gur s LEU 62 CO 0.05 0.07 0.26 -0.63 -1.32 0.00 0.00 176.35 174.78 3gur s ILE 63 N 0.66 4.42 -0.58 6.68 -1.09 -0.27 -0.87 121.20 130.15 3gur s ILE 63 Ca -0.13 -1.22 0.03 0.00 -2.23 0.00 0.00 60.65 57.09 3gur s ILE 63 Cb -0.16 -3.63 0.14 0.00 -1.58 0.00 0.00 42.46 37.23 3gur s ILE 63 CO 0.04 -0.44 0.34 -0.62 -1.23 0.00 0.00 174.94 173.03 3gur s ASP 64 N 2.02 4.59 1.52 3.58 2.15 -0.30 -1.44 116.67 128.79 3gur s ASP 64 Ca 0.03 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 49.86 3gur s ASP 64 Cb -0.22 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 3gur s ASP 64 CO 0.04 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3gur n GLY 65 N 2.97 2.45 0.27 2.66 0.00 -1.26 -1.33 105.19 110.93 3gur n GLY 65 Ca 0.08 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.95 3gur n GLY 65 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gur h THR 66 N 0.00 0.17 -3.21 2.61 1.35 -2.02 -3.44 112.91 108.36 3gur h THR 66 Ca 0.00 -0.64 -0.57 0.00 -0.55 0.00 0.00 66.41 64.64 3gur h THR 66 Cb 0.00 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 67.91 3gur h THR 66 CO 0.00 0.06 0.59 -1.00 -0.25 0.00 0.00 175.52 174.92 3gur s HIS 67 N -3.71 3.42 -0.24 4.73 3.76 -0.44 -5.00 115.29 117.80 3gur s HIS 67 Ca 0.01 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 3gur s HIS 67 Cb 0.10 -3.16 0.06 0.00 1.11 0.00 0.00 32.58 30.69 3gur s HIS 67 CO 0.56 -0.33 -0.03 0.15 -0.85 0.00 0.00 174.74 174.25 3gur s LYS 68 N 2.51 1.44 -0.07 1.40 1.02 -1.26 -1.15 119.74 123.63 3gur s LYS 68 Ca 0.43 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.53 3gur s LYS 68 Cb -0.16 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3gur s LYS 68 CO 0.12 -0.63 -0.22 0.42 -0.92 0.00 0.00 175.35 174.12 3gur s ILE 69 N 1.46 2.35 0.51 2.17 1.01 -0.05 -4.77 121.20 123.88 3gur s ILE 69 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3gur s ILE 69 Cb -0.19 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 3gur s ILE 69 CO -0.07 0.57 0.02 0.42 0.00 0.00 0.00 174.94 175.87 3gur s THR 70 N -0.15 1.21 0.03 2.92 -4.23 -1.26 -0.26 115.64 113.90 3gur s THR 70 Ca -0.03 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3gur s THR 70 Cb -0.14 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3gur s THR 70 CO 0.04 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.12 3gur n GLN 71 N -1.28 -1.03 -0.21 3.99 1.13 -1.24 -4.39 117.38 114.36 3gur n GLN 71 Ca -0.18 1.14 -0.06 0.00 -1.94 0.00 0.00 57.00 55.96 3gur n GLN 71 Cb 0.67 -0.89 0.10 0.00 0.11 0.00 0.00 30.24 30.22 3gur n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gur h SER 72 N 0.80 0.97 -0.15 1.08 4.64 -1.93 -0.66 113.55 118.30 3gur h SER 72 Ca 0.00 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3gur h SER 72 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3gur h SER 72 CO 0.00 0.95 -0.12 0.78 -0.87 0.00 0.00 176.83 177.57 3gur h ASN 73 N 0.97 0.49 -0.30 4.97 2.35 -1.96 -1.41 115.58 120.69 3gur h ASN 73 Ca 0.20 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 3gur h ASN 73 Cb 0.37 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3gur h ASN 73 CO 0.00 0.64 -0.26 0.00 -1.65 0.00 0.00 177.43 176.17 3gur h ALA 74 N 1.41 0.44 -0.21 -0.83 0.00 -1.39 -1.73 119.26 116.94 3gur h ALA 74 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gur h ALA 74 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3gur h ALA 74 CO 0.03 0.43 0.13 0.82 0.00 0.00 0.00 179.25 180.66 3gur h ILE 75 N 0.46 1.08 -0.09 0.00 2.04 -1.18 -1.57 117.51 118.26 3gur h ILE 75 Ca 0.05 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3gur h ILE 75 Cb 0.83 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3gur h ILE 75 CO 0.07 0.08 -0.02 -0.07 0.00 0.00 0.00 178.15 178.20 3gur h LEU 76 N 0.26 -0.09 -1.73 1.44 3.38 -1.23 -2.27 115.31 115.06 3gur h LEU 76 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3gur h LEU 76 Cb 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gur h LEU 76 CO -0.01 -0.03 -0.16 0.03 0.09 0.00 0.00 178.44 178.35 3gur h ARG 77 N -0.01 0.00 -0.09 1.13 3.08 -1.22 -0.28 114.38 116.99 3gur h ARG 77 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3gur h ARG 77 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gur h ARG 77 CO -0.09 0.16 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.00 3gur h TYR 78 N 0.00 0.23 -0.54 3.04 3.20 -0.74 -1.62 116.97 120.53 3gur h TYR 78 Ca -0.00 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 3gur h TYR 78 Cb 0.31 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3gur h TYR 78 CO 0.00 0.58 0.05 0.82 -1.64 0.00 0.00 178.16 177.98 3gur h ILE 79 N -0.19 1.26 -0.48 1.81 2.04 -1.15 -3.16 117.51 117.64 3gur h ILE 79 Ca 0.02 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3gur h ILE 79 Cb 0.53 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3gur h ILE 79 CO 0.02 0.37 0.29 0.00 0.00 0.00 0.00 178.15 178.83 3gur h ALA 80 N 0.98 0.62 -0.71 1.87 0.00 -0.94 -2.58 119.26 118.50 3gur h ALA 80 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gur h ALA 80 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gur h ALA 80 CO 0.02 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.74 3gur h ARG 81 N 0.65 1.00 -0.84 0.00 3.08 -1.32 0.78 114.38 117.72 3gur h ARG 81 Ca 0.17 -0.12 0.18 0.00 0.07 0.00 0.00 59.98 60.28 3gur h ARG 81 Cb -0.01 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 3gur h ARG 81 CO -0.03 0.75 0.56 0.87 -1.07 0.00 0.00 179.97 181.05 3gur h LYS 82 N 1.00 0.40 -0.06 0.04 1.57 -1.42 -3.00 116.57 115.09 3gur h LYS 82 Ca 0.25 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3gur h LYS 82 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3gur h LYS 82 CO -0.04 0.26 -0.23 0.72 -0.57 0.00 0.00 179.45 179.59 3gur n HIS 83 N -4.49 0.20 -3.97 -1.35 8.25 -0.72 -4.97 115.22 108.16 3gur n HIS 83 Ca 0.17 -1.29 -0.28 0.00 -0.26 0.00 0.00 57.72 56.07 3gur n HIS 83 Cb 0.63 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 3gur n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gur n ASN 84 N -1.20 -1.58 -2.85 0.41 3.02 -0.95 -4.89 115.26 107.22 3gur n ASN 84 Ca 0.20 -0.95 -0.35 0.00 -0.03 0.00 0.00 54.58 53.44 3gur n ASN 84 Cb 0.73 -3.24 0.02 0.00 -0.61 0.00 0.00 39.78 36.68 3gur n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gur n LEU 85 N -4.42 6.46 -4.28 3.41 4.77 0.19 -4.99 117.00 118.14 3gur n LEU 85 Ca -0.19 -5.06 -0.15 0.00 -0.03 0.00 0.00 56.01 50.58 3gur n LEU 85 Cb 0.63 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3gur n LEU 85 CO 0.76 1.97 -0.36 0.00 -1.33 0.00 0.00 177.39 178.44 3gur s GLY 87 N -3.22 2.89 -0.13 0.00 0.00 -1.26 -4.97 107.32 100.62 3gur s GLY 87 Ca 0.23 1.44 -0.12 0.00 0.00 0.00 0.00 44.72 46.26 3gur s GLY 87 CO 0.04 2.14 -0.26 -2.21 0.00 0.00 0.00 173.10 172.82 3gur n GLU 88 N 0.79 0.40 -1.22 2.90 2.13 -1.26 -4.66 120.64 119.72 3gur n GLU 88 Ca 0.01 0.16 -0.30 0.00 0.66 0.00 0.00 57.16 57.69 3gur n GLU 88 Cb 0.40 -1.19 0.12 0.00 0.27 0.00 0.00 31.44 31.04 3gur n GLU 88 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3gur s SER 89 N -6.15 3.84 0.18 4.31 1.04 -1.26 -4.85 113.70 110.82 3gur s SER 89 Ca -0.23 1.60 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 3gur s SER 89 Cb 0.05 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.98 3gur s SER 89 CO 0.33 -2.42 1.83 -0.08 0.98 0.00 0.00 173.24 173.88 3gur h GLU 90 N -1.40 0.70 -0.30 4.02 4.57 -1.99 -1.21 114.58 118.97 3gur h GLU 90 Ca -0.47 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 57.70 3gur h GLU 90 Cb 1.26 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 3gur h GLU 90 CO 0.53 0.46 0.09 -0.22 -1.18 0.00 0.00 179.01 178.69 3gur h LYS 91 N 0.72 0.20 -0.80 1.92 3.64 -2.00 -0.09 116.57 120.17 3gur h LYS 91 Ca 0.22 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 3gur h LYS 91 Cb -0.03 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 3gur h LYS 91 CO -0.07 0.13 0.47 0.93 -2.27 0.00 0.00 179.45 178.64 3gur h GLU 92 N 0.21 0.79 -0.53 1.90 5.08 -1.84 -1.89 114.58 118.31 3gur h GLU 92 Ca 0.14 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3gur h GLU 92 Cb 0.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3gur h GLU 92 CO -0.16 0.52 -0.04 1.96 -1.00 0.00 0.00 179.01 180.29 3gur h GLN 93 N 0.81 0.96 0.01 2.33 4.20 -0.53 0.56 115.11 123.45 3gur h GLN 93 Ca 0.37 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3gur h GLN 93 Cb 0.29 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3gur h GLN 93 CO -0.22 0.99 -0.00 0.82 -0.67 0.00 0.00 178.83 179.75 3gur h ILE 94 N 0.83 1.00 -0.78 2.54 2.04 -0.79 -1.12 117.51 121.23 3gur h ILE 94 Ca 0.14 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3gur h ILE 94 Cb 0.59 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3gur h ILE 94 CO 0.04 0.01 0.41 0.03 0.00 0.00 0.00 178.15 178.63 3gur h ARG 95 N -0.02 1.11 -0.37 2.37 3.08 -1.26 -0.11 114.38 119.18 3gur h ARG 95 Ca -0.00 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3gur h ARG 95 Cb 0.02 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3gur h ARG 95 CO 0.00 0.84 0.20 1.49 -1.07 0.00 0.00 179.97 181.43 3gur h GLU 96 N 1.09 0.40 0.05 0.04 4.81 -0.71 -0.81 114.58 119.45 3gur h GLU 96 Ca 0.27 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3gur h GLU 96 Cb 0.07 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3gur h GLU 96 CO -0.04 0.27 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.04 3gur h ASP 97 N 0.42 -0.06 -0.29 1.04 3.32 -0.96 -1.54 116.42 118.34 3gur h ASP 97 Ca 0.15 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.08 3gur h ASP 97 Cb 0.02 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 3gur h ASP 97 CO -0.08 0.14 -0.07 0.40 -1.72 0.00 0.00 179.24 177.91 3gur h ILE 98 N -0.26 0.71 -0.26 0.35 2.04 -0.89 -2.61 117.51 116.59 3gur h ILE 98 Ca -0.01 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3gur h ILE 98 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3gur h ILE 98 CO 0.01 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.08 3gur h LEU 99 N 0.00 0.46 -1.07 1.44 3.38 -1.10 0.22 115.31 118.65 3gur h LEU 99 Ca 0.14 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 57.92 3gur h LEU 99 Cb 0.21 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 3gur h LEU 99 CO -0.30 0.67 0.62 -0.08 0.09 0.00 0.00 178.44 179.44 3gur h GLU 100 N 0.24 0.89 0.22 1.13 4.81 -1.21 0.56 114.58 121.21 3gur h GLU 100 Ca 0.07 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.95 3gur h GLU 100 Cb 0.44 -0.20 0.03 0.00 0.63 0.00 0.00 28.75 29.65 3gur h GLU 100 CO 0.02 0.59 -1.35 -0.91 -0.73 0.00 0.00 179.01 176.63 3gur h ASN 101 N 0.92 0.71 -0.31 1.04 2.35 -1.16 -2.98 115.58 116.15 3gur h ASN 101 Ca 0.49 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3gur h ASN 101 Cb 0.57 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3gur h ASN 101 CO -0.26 1.64 0.15 -0.61 -1.65 0.00 0.00 177.43 176.70 3gur h GLN 102 N -0.01 0.45 -0.81 0.81 5.75 0.02 -1.91 115.11 119.42 3gur h GLN 102 Ca -0.24 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3gur h GLN 102 Cb 2.02 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 30.45 3gur h GLN 102 CO 0.23 0.43 0.50 0.74 -2.65 0.00 0.00 178.83 178.08 3gur h PHE 103 N 0.37 1.05 -0.93 3.99 0.04 -0.02 -1.32 116.94 120.12 3gur h PHE 103 Ca 0.11 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3gur h PHE 103 Cb 0.13 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 3gur h PHE 103 CO -0.02 0.69 0.53 1.98 -0.60 0.00 0.00 178.31 180.90 3gur h MET 104 N 1.11 1.28 -0.32 1.51 4.05 -1.31 0.20 114.93 121.44 3gur h MET 104 Ca 0.29 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3gur h MET 104 Cb -0.07 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.46 3gur h MET 104 CO -0.06 0.91 0.09 -0.44 0.23 0.00 0.00 176.91 177.64 3gur h ASP 105 N 1.29 0.48 -0.31 1.39 3.32 -0.70 0.68 116.42 122.58 3gur h ASP 105 Ca 0.33 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3gur h ASP 105 Cb -0.02 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3gur h ASP 105 CO -0.06 0.57 0.12 0.28 -1.72 0.00 0.00 179.24 178.43 3gur h SER 106 N 0.37 0.14 -0.10 6.45 0.02 -0.97 -1.25 113.55 118.21 3gur h SER 106 Ca 0.10 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3gur h SER 106 Cb 0.27 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3gur h SER 106 CO -0.00 0.12 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.57 3gur h ARG 107 N 0.26 -0.19 -0.60 3.45 2.43 -0.23 -2.20 114.38 117.30 3gur h ARG 107 Ca 0.14 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3gur h ARG 107 Cb 0.09 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3gur h ARG 107 CO -0.13 -0.12 0.29 0.52 -1.51 0.00 0.00 179.97 179.02 3gur h MET 108 N -0.19 0.84 -0.83 0.20 2.86 -0.72 -2.16 114.93 114.92 3gur h MET 108 Ca 0.08 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3gur h MET 108 Cb 0.31 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3gur h MET 108 CO -0.21 0.64 0.55 1.96 1.06 0.00 0.00 176.91 180.91 3gur h GLN 109 N 0.84 1.07 -0.40 1.72 4.20 -0.65 0.18 115.11 122.07 3gur h GLN 109 Ca 0.21 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 3gur h GLN 109 Cb 0.08 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3gur h GLN 109 CO -0.03 0.71 -0.21 1.25 -0.67 0.00 0.00 178.83 179.88 3gur h LEU 110 N 1.10 0.80 -0.24 1.46 5.85 -1.09 -2.77 115.31 120.42 3gur h LEU 110 Ca 0.31 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3gur h LEU 110 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3gur h LEU 110 CO -0.08 0.99 -0.01 0.00 -0.34 0.00 0.00 178.44 179.00 3gur h ALA 111 N 1.07 0.32 -1.00 1.25 0.00 -0.76 -1.01 119.26 119.14 3gur h ALA 111 Ca 0.10 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3gur h ALA 111 Cb 0.72 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3gur h ALA 111 CO 0.06 0.06 0.64 -0.22 0.00 0.00 0.00 179.25 179.78 3gur h LYS 112 N 0.19 1.06 -0.01 0.00 3.64 -0.67 -1.46 116.57 119.32 3gur h LYS 112 Ca 0.07 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gur h LYS 112 Cb 0.42 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gur h LYS 112 CO 0.01 0.70 -0.01 1.25 -2.27 0.00 0.00 179.45 179.14 3gur h LEU 113 N 1.09 0.03 -0.16 5.20 5.85 -1.19 -3.22 115.31 122.92 3gur h LEU 113 Ca 0.46 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gur h LEU 113 Cb 0.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3gur h LEU 113 CO -0.21 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 3gur n TYR 115 N -1.99 0.00 -2.84 0.00 4.01 -0.58 -0.47 117.16 115.29 3gur n TYR 115 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 3gur n TYR 115 Cb 0.33 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.30 3gur n TYR 115 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gur s ASP 116 N -2.78 7.13 0.59 7.72 -1.08 -1.09 -4.65 116.67 122.51 3gur s ASP 116 Ca 0.13 1.38 0.28 0.00 -0.52 0.00 0.00 52.55 53.82 3gur s ASP 116 Cb 0.17 -2.49 1.60 0.00 -1.46 0.00 0.00 42.92 40.74 3gur s ASP 116 CO 0.72 -0.30 2.05 1.55 0.52 0.00 0.00 175.17 179.72 3gur h PRO 117 N 6.99 0.00 -0.91 4.34 0.13 -1.93 0.31 132.00 140.94 3gur h PRO 117 Ca -0.36 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 3gur h PRO 117 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3gur h PRO 117 CO 0.79 0.00 0.04 -0.25 -0.23 0.00 0.00 178.00 178.36 3gur n ASP 118 N -3.80 2.52 -0.36 1.44 8.00 -1.26 -4.62 116.55 118.47 3gur n ASP 118 Ca 0.03 -2.30 -0.04 0.00 0.71 0.00 0.00 54.79 53.19 3gur n ASP 118 Cb 0.41 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3gur n ASP 118 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3gur h PHE 119 N 0.92 -1.25 -0.92 1.24 3.57 -1.16 -0.35 116.94 119.00 3gur h PHE 119 Ca 0.04 0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3gur h PHE 119 Cb 1.05 0.68 -0.06 0.00 2.79 0.00 0.00 35.95 40.40 3gur h PHE 119 CO 0.34 -0.40 0.58 1.49 -2.23 0.00 0.00 178.31 178.09 3gur h GLU 120 N -0.04 1.02 0.00 1.11 4.57 -1.86 0.45 114.58 119.83 3gur h GLU 120 Ca 0.29 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3gur h GLU 120 Cb 0.56 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3gur h GLU 120 CO -0.92 0.68 -0.29 0.87 -1.18 0.00 0.00 179.01 178.16 3gur h LYS 121 N 1.05 0.00 0.00 1.92 6.56 -1.80 -3.33 116.57 120.98 3gur h LYS 121 Ca 0.40 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.77 3gur h LYS 121 Cb 0.18 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 3gur h LYS 121 CO -0.18 0.29 -1.74 1.28 -2.06 0.00 0.00 179.45 177.04 3gur n LEU 122 N -3.17 0.60 -0.37 2.94 4.77 -0.19 -4.47 117.00 117.12 3gur n LEU 122 Ca 0.03 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 3gur n LEU 122 Cb 0.65 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.94 3gur n LEU 122 CO 0.38 0.26 0.54 1.17 -1.33 0.00 0.00 177.39 178.40 3gur n LYS 123 N -2.84 -0.24 0.17 3.23 4.81 0.14 -2.61 118.16 120.83 3gur n LYS 123 Ca -0.16 1.44 0.04 0.00 -0.87 0.00 0.00 58.31 58.77 3gur n LYS 123 Cb 0.93 -2.14 0.45 0.00 0.02 0.00 0.00 35.03 34.29 3gur n LYS 123 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3gur h PRO 124 N 0.00 0.12 -0.63 1.64 0.13 -1.79 -1.33 132.00 130.16 3gur h PRO 124 Ca 0.31 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.35 3gur h PRO 124 Cb 0.54 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 3gur h PRO 124 CO -0.93 0.27 0.17 0.93 -0.23 0.00 0.00 178.00 178.21 3gur h GLU 125 N 0.12 0.97 -0.63 0.86 3.07 -1.80 -1.35 114.58 115.83 3gur h GLU 125 Ca 0.02 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 58.60 3gur h GLU 125 Cb 0.32 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3gur h GLU 125 CO 0.02 0.85 0.06 -0.92 -1.40 0.00 0.00 179.01 177.63 3gur h TYR 126 N 0.93 1.13 -0.36 4.33 3.20 -1.27 -2.55 116.97 122.39 3gur h TYR 126 Ca 0.20 -0.17 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3gur h TYR 126 Cb 0.31 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3gur h TYR 126 CO 0.02 0.96 -0.30 -0.07 -1.64 0.00 0.00 178.16 177.14 3gur h LEU 127 N 0.98 0.79 -1.51 2.82 4.07 -1.12 -0.94 115.31 120.40 3gur h LEU 127 Ca 0.19 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3gur h LEU 127 Cb 0.47 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3gur h LEU 127 CO 0.02 1.04 0.17 -0.61 -1.08 0.00 0.00 178.44 177.98 3gur h GLN 128 N 0.65 0.50 0.00 1.13 -0.00 -1.22 -3.21 115.11 112.96 3gur h GLN 128 Ca 0.08 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.56 3gur h GLN 128 Cb 0.83 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 3gur h GLN 128 CO 0.07 0.39 -1.17 0.00 0.00 0.00 0.00 178.83 178.12 3gur h ALA 129 N 1.69 0.62 -0.53 3.38 0.00 -1.23 -3.39 119.26 119.81 3gur h ALA 129 Ca 0.13 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.57 3gur h ALA 129 Cb 0.06 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3gur h ALA 129 CO -0.02 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.23 3gur h LEU 130 N 0.00 0.04 -1.44 0.00 5.85 -1.17 -2.30 115.31 116.29 3gur h LEU 130 Ca -0.10 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3gur h LEU 130 Cb 1.39 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 3gur h LEU 130 CO 0.03 0.05 0.40 -0.65 -0.34 0.00 0.00 178.44 177.93 3gur h PRO 131 N 0.27 0.73 -0.64 5.25 0.11 -1.76 -0.55 132.00 135.40 3gur h PRO 131 Ca 0.27 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 3gur h PRO 131 Cb 0.35 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3gur h PRO 131 CO -0.33 0.48 0.06 1.49 -0.21 0.00 0.00 178.00 179.50 3gur h GLU 132 N 0.75 1.09 -0.23 1.05 4.57 -1.69 -0.55 114.58 119.56 3gur h GLU 132 Ca 0.23 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3gur h GLU 132 Cb 0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3gur h GLU 132 CO -0.06 1.02 0.05 1.98 -1.18 0.00 0.00 179.01 180.82 3gur h MET 133 N 1.01 0.38 -0.21 1.92 4.05 -0.99 -2.78 114.93 118.31 3gur h MET 133 Ca 0.19 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 3gur h MET 133 Cb 0.49 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3gur h MET 133 CO 0.02 0.49 -0.28 -0.07 0.23 0.00 0.00 176.91 177.30 3gur h LEU 134 N 0.20 0.41 -0.61 3.39 3.38 -1.01 -2.90 115.31 118.17 3gur h LEU 134 Ca 0.07 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gur h LEU 134 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3gur h LEU 134 CO 0.00 0.68 0.40 0.50 0.09 0.00 0.00 178.44 180.11 3gur h LYS 135 N 0.36 0.78 -0.30 1.13 3.64 -0.97 -0.04 116.57 121.16 3gur h LYS 135 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gur h LYS 135 Cb 0.68 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3gur h LYS 135 CO 0.05 0.52 0.20 -0.07 -2.27 0.00 0.00 179.45 177.88 3gur h LEU 136 N 0.80 0.35 -0.66 5.20 4.07 -1.30 0.20 115.31 123.98 3gur h LEU 136 Ca 0.23 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.19 3gur h LEU 136 Cb -0.07 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 3gur h LEU 136 CO -0.06 0.26 0.43 1.88 -1.08 0.00 0.00 178.44 179.87 3gur h TYR 137 N 0.41 0.81 -0.45 1.13 0.05 -1.40 -1.55 116.97 115.97 3gur h TYR 137 Ca 0.11 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 3gur h TYR 137 Cb -0.04 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 3gur h TYR 137 CO -0.05 0.50 0.26 1.03 -1.05 0.00 0.00 178.16 178.84 3gur h SER 138 N 0.87 0.55 -0.08 3.88 0.87 -0.49 -0.46 113.55 118.68 3gur h SER 138 Ca 0.25 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3gur h SER 138 Cb -0.07 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3gur h SER 138 CO -0.07 0.46 -0.05 1.56 -0.53 0.00 0.00 176.83 178.20 3gur h GLN 139 N 0.59 0.32 -0.11 2.24 4.20 -0.48 -2.00 115.11 119.86 3gur h GLN 139 Ca 0.16 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 3gur h GLN 139 Cb 0.02 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gur h GLN 139 CO -0.03 0.39 -0.54 0.35 -0.67 0.00 0.00 178.83 178.33 3gur h PHE 140 N 0.31 0.76 -0.66 2.96 3.57 -0.78 -3.23 116.94 119.88 3gur h PHE 140 Ca 0.07 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 3gur h PHE 140 Cb 0.30 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3gur h PHE 140 CO 0.01 1.12 0.26 1.25 -2.23 0.00 0.00 178.31 178.72 3gur h LEU 141 N 0.19 0.92 0.00 0.59 5.85 -1.04 -3.48 115.31 118.34 3gur h LEU 141 Ca -0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3gur h LEU 141 Cb 1.18 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3gur h LEU 141 CO 0.11 0.84 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 3gur n GLY 142 N -0.84 2.51 1.09 3.75 0.00 -0.76 -1.86 105.19 109.08 3gur n GLY 142 Ca 0.05 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.80 3gur n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gur n LYS 143 N 14.00 2.73 -3.21 1.61 5.02 -1.26 -4.91 118.16 132.13 3gur n LYS 143 Ca 0.00 -1.53 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 3gur n LYS 143 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 3gur n LYS 143 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gur s GLN 144 N -1.80 4.17 0.27 1.97 -0.21 -0.78 -5.00 119.66 118.29 3gur s GLN 144 Ca 0.27 0.74 0.12 0.00 0.02 0.00 0.00 55.36 56.50 3gur s GLN 144 Cb 0.19 -3.00 0.31 0.00 1.00 0.00 0.00 33.01 31.52 3gur s GLN 144 CO 0.10 0.49 1.57 -1.00 -2.12 0.00 0.00 175.29 174.33 3gur h PRO 145 N 3.77 0.00 -4.93 2.91 0.13 -1.87 -3.46 132.00 128.55 3gur h PRO 145 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 3gur h PRO 145 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3gur h PRO 145 CO 0.65 0.62 -0.66 -1.58 -0.23 0.00 0.00 178.00 176.81 3gur s TRP 146 N -3.43 1.38 0.15 1.56 0.52 -1.08 -4.92 118.94 113.13 3gur s TRP 146 Ca -0.00 -0.99 0.35 0.00 0.02 0.00 0.00 56.10 55.47 3gur s TRP 146 Cb 0.12 -0.79 1.48 0.00 -1.15 0.00 0.00 33.47 33.12 3gur s TRP 146 CO 0.76 -0.15 2.02 0.74 0.02 0.00 0.00 176.95 180.34 3gur h PHE 147 N 2.58 0.00 -0.27 -1.98 0.04 -1.89 -2.32 116.94 113.10 3gur h PHE 147 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 3gur h PHE 147 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3gur h PHE 147 CO 0.55 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.54 3gur n LEU 148 N -3.07 3.00 0.00 1.54 4.77 -1.26 -4.92 117.00 117.06 3gur n LEU 148 Ca 0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 3gur n LEU 148 Cb 0.28 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3gur n LEU 148 CO 0.26 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3gur n GLY 149 N 1.12 0.49 0.14 -0.72 0.00 -0.87 -4.82 105.19 100.53 3gur n GLY 149 Ca 0.15 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.18 3gur n GLY 149 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gur h ASP 150 N 0.00 0.00 -4.23 1.61 2.03 -1.98 -2.86 116.42 110.98 3gur h ASP 150 Ca 0.00 -0.04 -0.52 0.00 -0.73 0.00 0.00 57.03 55.74 3gur h ASP 150 Cb 0.00 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 38.28 3gur h ASP 150 CO 0.00 0.02 -0.81 -0.54 -1.03 0.00 0.00 179.24 176.88 3gur s LYS 151 N -3.20 1.05 0.33 4.15 1.02 -1.26 -4.88 119.74 116.96 3gur s LYS 151 Ca 0.07 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 3gur s LYS 151 Cb 0.10 -1.24 -0.10 0.00 -0.52 0.00 0.00 37.83 36.06 3gur s LYS 151 CO 0.68 0.28 1.30 -1.50 -0.92 0.00 0.00 175.35 175.19 3gur s ILE 152 N -1.23 2.74 0.22 2.17 2.07 -1.26 -4.58 121.20 121.33 3gur s ILE 152 Ca 0.05 0.75 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 3gur s ILE 152 Cb -0.10 -3.47 -0.04 0.00 0.13 0.00 0.00 42.46 38.98 3gur s ILE 152 CO 0.04 0.18 0.15 0.42 -1.91 0.00 0.00 174.94 173.81 3gur s THR 153 N -1.14 0.02 0.64 4.00 -4.23 -1.26 -4.78 115.64 108.87 3gur s THR 153 Ca 0.49 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.38 3gur s THR 153 Cb -0.39 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.35 3gur s THR 153 CO 0.52 0.00 2.30 2.19 -0.54 0.00 0.00 174.62 179.10 3gur h PHE 154 N 2.55 0.00 0.00 3.99 -0.00 -1.83 -2.36 116.94 119.29 3gur h PHE 154 Ca -0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.52 3gur h PHE 154 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.18 3gur h PHE 154 CO 0.53 0.00 -0.47 -0.24 -0.00 0.00 0.00 178.31 178.13 3gur h VAL 155 N 0.00 1.19 0.00 0.88 3.04 -1.95 -2.13 116.25 117.29 3gur h VAL 155 Ca 0.00 -1.70 -0.02 0.00 -1.01 0.00 0.00 66.70 63.98 3gur h VAL 155 Cb 0.05 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3gur h VAL 155 CO -0.00 0.46 -0.09 0.44 -1.01 0.00 0.00 177.57 177.37 3gur h ASP 156 N 0.00 0.00 0.37 3.17 3.32 -1.83 0.10 116.42 121.54 3gur h ASP 156 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3gur h ASP 156 Cb 0.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.48 3gur h ASP 156 CO 0.06 0.09 -1.10 -0.26 -1.72 0.00 0.00 179.24 176.31 3gur h PHE 157 N 0.00 0.68 -0.04 4.55 -1.00 -1.52 -0.58 116.94 119.03 3gur h PHE 157 Ca -0.00 -0.42 -0.01 0.00 2.81 0.00 0.00 57.97 60.36 3gur h PHE 157 Cb 0.19 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3gur h PHE 157 CO 0.00 1.27 0.00 0.82 -1.61 0.00 0.00 178.31 178.79 3gur h ILE 158 N 0.20 1.23 -0.36 -0.55 2.04 -1.34 -2.80 117.51 115.93 3gur h ILE 158 Ca -0.12 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.10 3gur h ILE 158 Cb 1.77 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 39.42 3gur h ILE 158 CO 0.19 0.19 -0.11 0.00 0.00 0.00 0.00 178.15 178.42 3gur h ALA 159 N 0.73 0.21 -0.81 1.87 0.00 -0.80 -1.39 119.26 119.06 3gur h ALA 159 Ca 0.01 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3gur h ALA 159 Cb 0.30 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3gur h ALA 159 CO 0.00 -0.48 0.49 -0.92 0.00 0.00 0.00 179.25 178.35 3gur h TYR 160 N -0.03 0.91 -0.30 0.00 3.20 -1.08 0.11 116.97 119.79 3gur h TYR 160 Ca 0.18 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3gur h TYR 160 Cb 0.30 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3gur h TYR 160 CO -0.35 0.46 -0.02 0.22 -1.64 0.00 0.00 178.16 176.83 3gur h ASP 161 N 0.90 0.53 -0.03 -2.11 3.58 -1.05 -1.01 116.42 117.24 3gur h ASP 161 Ca 0.36 -0.32 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 3gur h ASP 161 Cb 0.17 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.09 3gur h ASP 161 CO -0.17 0.73 -0.44 0.58 -2.88 0.00 0.00 179.24 177.06 3gur h VAL 162 N 0.33 1.45 -0.03 2.25 2.07 -0.76 -2.32 116.25 119.24 3gur h VAL 162 Ca 0.08 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3gur h VAL 162 Cb 0.47 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3gur h VAL 162 CO 0.02 0.56 0.02 -0.07 0.02 0.00 0.00 177.57 178.12 3gur h LEU 163 N -0.19 0.04 -0.55 2.57 3.38 -0.82 -2.96 115.31 116.77 3gur h LEU 163 Ca -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gur h LEU 163 Cb 1.14 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3gur h LEU 163 CO 0.09 0.08 0.26 -0.08 0.09 0.00 0.00 178.44 178.88 3gur h GLU 164 N 0.00 0.79 0.00 1.13 4.22 -1.22 -2.30 114.58 117.20 3gur h GLU 164 Ca 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 3gur h GLU 164 Cb 0.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3gur h GLU 164 CO -0.00 0.65 -0.14 0.07 -2.18 0.00 0.00 179.01 177.41 3gur h ARG 165 N 0.74 0.00 -0.08 1.92 0.11 -1.40 0.70 114.38 116.37 3gur h ARG 165 Ca 0.19 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.11 3gur h ARG 165 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 3gur h ARG 165 CO -0.02 0.14 -0.63 -0.91 0.10 0.00 0.00 179.97 178.64 3gur h ASN 166 N 0.00 0.33 -0.47 0.08 4.21 -1.27 -1.61 115.58 116.85 3gur h ASN 166 Ca -0.00 -0.20 -0.03 0.00 1.21 0.00 0.00 56.30 57.28 3gur h ASN 166 Cb 0.47 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 3gur h ASN 166 CO 0.02 0.88 0.17 -0.61 -1.29 0.00 0.00 177.43 176.59 3gur h GLN 167 N 0.21 0.72 -0.51 0.81 4.15 -0.42 0.27 115.11 120.34 3gur h GLN 167 Ca -0.01 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.31 3gur h GLN 167 Cb 1.16 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 3gur h GLN 167 CO 0.10 0.67 0.34 0.28 -1.93 0.00 0.00 178.83 178.29 3gur h VAL 168 N 0.62 1.03 0.01 2.39 2.07 -0.99 -1.75 116.25 119.64 3gur h VAL 168 Ca 0.15 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3gur h VAL 168 Cb 0.24 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3gur h VAL 168 CO -0.01 0.10 -0.01 0.15 0.02 0.00 0.00 177.57 177.82 3gur h PHE 169 N 0.53 -0.02 -3.37 1.57 3.57 -0.72 -3.42 116.94 115.09 3gur h PHE 169 Ca 0.21 -0.00 -0.61 0.00 3.53 0.00 0.00 57.97 61.10 3gur h PHE 169 Cb 0.16 0.01 -0.40 0.00 2.79 0.00 0.00 35.95 38.51 3gur h PHE 169 CO -0.00 0.78 -0.75 -2.00 -2.23 0.00 0.00 178.31 174.11 3gur s GLU 170 N -2.70 1.04 0.00 1.11 2.56 0.89 -5.03 118.70 116.57 3gur s GLU 170 Ca -0.17 -1.33 0.04 0.00 0.00 0.00 0.00 54.97 53.51 3gur s GLU 170 Cb -0.02 -2.45 0.15 0.00 2.00 0.00 0.00 34.13 33.82 3gur s GLU 170 CO 0.63 -0.94 1.09 -0.35 -0.56 0.00 0.00 175.26 175.14 3gur n PRO 171 N 4.63 0.01 0.00 4.30 -0.04 -0.66 -1.54 135.00 141.69 3gur n PRO 171 Ca -0.01 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 3gur n PRO 171 Cb 0.42 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 3gur n PRO 171 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gur n SER 172 N -1.47 2.17 0.28 3.54 3.41 -1.26 -4.62 113.62 115.66 3gur n SER 172 Ca 0.01 -1.58 0.16 0.00 -0.26 0.00 0.00 58.87 57.19 3gur n SER 172 Cb 0.04 0.11 0.81 0.00 -0.26 0.00 0.00 64.21 64.91 3gur n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gur n LEU 174 N -3.41 2.59 -0.21 0.00 4.77 -1.26 -4.51 117.00 114.97 3gur n LEU 174 Ca -0.01 -0.91 -0.06 0.00 -0.03 0.00 0.00 56.01 55.00 3gur n LEU 174 Cb 0.23 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3gur n LEU 174 CO 0.28 0.45 1.12 0.44 -1.33 0.00 0.00 177.39 178.35 3gur h ASP 175 N 3.94 0.71 0.50 -1.43 5.19 -1.76 -1.85 116.42 121.71 3gur h ASP 175 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3gur h ASP 175 Cb 0.84 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3gur h ASP 175 CO 0.00 0.53 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 3gur n ALA 176 N -2.27 1.89 -3.87 3.45 0.00 -1.26 -4.26 120.51 114.19 3gur n ALA 176 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 3gur n ALA 176 Cb 0.03 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 3gur n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gur s PHE 177 N -2.81 3.34 0.24 0.00 0.08 -0.70 -4.96 117.98 113.17 3gur s PHE 177 Ca 0.12 -3.24 -0.04 0.00 0.12 0.00 0.00 56.93 53.89 3gur s PHE 177 Cb 0.12 -2.58 0.44 0.00 -0.57 0.00 0.00 43.02 40.43 3gur s PHE 177 CO 0.31 -0.59 1.75 -1.35 -0.10 0.00 0.00 175.22 175.24 3gur h PRO 178 N 5.53 0.49 -0.45 0.24 0.11 -1.75 -1.50 132.00 134.68 3gur h PRO 178 Ca 0.13 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.27 3gur h PRO 178 Cb 0.78 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 3gur h PRO 178 CO 0.69 0.33 0.30 -2.95 -0.21 0.00 0.00 178.00 176.16 3gur h ASN 179 N 0.51 0.34 -0.12 -2.05 -0.00 -1.93 0.39 115.58 112.72 3gur h ASN 179 Ca 0.41 -0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.63 3gur h ASN 179 Cb 0.57 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 3gur h ASN 179 CO -0.36 0.23 -0.22 -0.07 -0.00 0.00 0.00 177.43 177.01 3gur h LEU 180 N 0.39 0.40 -0.74 6.14 4.07 -1.62 0.42 115.31 124.36 3gur h LEU 180 Ca 0.20 -0.55 -0.12 0.00 0.08 0.00 0.00 57.88 57.49 3gur h LEU 180 Cb 0.28 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3gur h LEU 180 CO -0.05 0.87 -0.28 0.07 -1.08 0.00 0.00 178.44 177.98 3gur h LYS 181 N -0.06 0.65 -0.71 1.13 2.10 -1.13 -1.90 116.57 116.65 3gur h LYS 181 Ca 0.01 -0.28 0.01 0.00 -2.00 0.00 0.00 60.65 58.39 3gur h LYS 181 Cb 0.80 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.07 3gur h LYS 181 CO 0.05 0.86 0.47 -0.44 -2.00 0.00 0.00 179.45 178.39 3gur h ASP 182 N 0.56 0.81 -0.17 7.07 3.32 -0.85 0.43 116.42 127.60 3gur h ASP 182 Ca 0.07 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3gur h ASP 182 Cb 0.76 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3gur h ASP 182 CO 0.06 0.58 -0.01 0.15 -1.72 0.00 0.00 179.24 178.30 3gur h PHE 183 N 0.95 -0.03 0.02 4.55 3.57 -0.56 0.12 116.94 125.57 3gur h PHE 183 Ca 0.26 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 3gur h PHE 183 Cb -0.10 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3gur h PHE 183 CO -0.00 -0.04 -0.16 0.82 -2.23 0.00 0.00 178.31 176.70 3gur h ILE 184 N 0.04 0.62 -0.56 1.41 2.04 -0.55 -0.88 117.51 119.62 3gur h ILE 184 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3gur h ILE 184 Cb 0.10 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3gur h ILE 184 CO -0.14 0.00 0.23 0.28 0.00 0.00 0.00 178.15 178.52 3gur h SER 185 N -0.27 0.26 -0.63 1.72 0.02 -0.75 -1.35 113.55 112.54 3gur h SER 185 Ca 0.05 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3gur h SER 185 Cb 0.33 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3gur h SER 185 CO -0.14 0.17 0.30 -0.09 -1.14 0.00 0.00 176.83 175.93 3gur h ARG 186 N 0.43 0.91 -0.02 3.45 2.43 -0.38 0.98 114.38 122.18 3gur h ARG 186 Ca 0.27 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gur h ARG 186 Cb 0.29 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3gur h ARG 186 CO -0.25 0.74 0.00 0.35 -1.51 0.00 0.00 179.97 179.30 3gur h PHE 187 N 0.87 0.03 0.00 2.20 3.57 -0.80 -2.73 116.94 120.08 3gur h PHE 187 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3gur h PHE 187 Cb 0.13 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3gur h PHE 187 CO 0.00 0.25 0.00 0.93 -2.23 0.00 0.00 178.31 177.26 3gur h GLU 188 N -0.20 0.00 -0.00 1.11 5.08 -0.97 -2.41 114.58 117.19 3gur h GLU 188 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gur h GLU 188 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3gur h GLU 188 CO 0.00 0.00 -0.09 0.41 -1.00 0.00 0.00 179.01 178.33 3gur n GLY 189 N -0.18 -0.90 3.74 -3.84 0.00 0.31 -3.32 105.19 101.00 3gur n GLY 189 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3gur n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gur s LEU 190 N -2.41 4.38 0.12 0.99 1.43 -0.91 -4.84 118.68 117.45 3gur s LEU 190 Ca 0.31 2.60 -0.26 0.00 -1.03 0.00 0.00 54.13 55.74 3gur s LEU 190 Cb 0.20 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3gur s LEU 190 CO 0.46 -0.71 1.62 -0.33 0.23 0.00 0.00 176.35 177.63 3gur h GLU 191 N 5.62 -0.42 0.00 1.70 5.08 -1.90 0.17 114.58 124.83 3gur h GLU 191 Ca -0.45 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 3gur h GLU 191 Cb 1.21 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3gur h GLU 191 CO 0.81 -0.28 -0.14 0.87 -1.00 0.00 0.00 179.01 179.27 3gur h LYS 192 N -0.43 0.00 0.02 2.33 1.57 -1.93 -2.55 116.57 115.57 3gur h LYS 192 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3gur h LYS 192 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3gur h LYS 192 CO -0.25 0.14 -0.34 0.82 -0.57 0.00 0.00 179.45 179.26 3gur h ILE 193 N 0.00 1.55 -0.76 1.86 5.03 -1.43 -2.34 117.51 121.41 3gur h ILE 193 Ca -0.00 -2.08 -0.04 0.00 -0.12 0.00 0.00 64.86 62.62 3gur h ILE 193 Cb 0.43 2.87 -0.03 0.00 -3.03 0.00 0.00 36.82 37.05 3gur h ILE 193 CO 0.02 0.57 0.32 0.77 -0.68 0.00 0.00 178.15 179.15 3gur h SER 194 N -0.49 1.04 -0.30 1.72 4.64 -0.93 0.15 113.55 119.39 3gur h SER 194 Ca -0.05 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3gur h SER 194 Cb 1.12 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3gur h SER 194 CO 0.07 0.92 0.07 0.00 -0.87 0.00 0.00 176.83 177.02 3gur h ALA 195 N 1.16 0.32 -0.62 5.18 0.00 -1.56 0.38 119.26 124.13 3gur h ALA 195 Ca 0.26 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3gur h ALA 195 Cb 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3gur h ALA 195 CO -0.02 -0.33 0.38 -0.92 0.00 0.00 0.00 179.25 178.35 3gur h TYR 196 N 0.19 0.70 0.00 0.00 3.20 -1.08 -2.01 116.97 117.97 3gur h TYR 196 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3gur h TYR 196 Cb 0.14 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3gur h TYR 196 CO -0.16 0.40 -0.23 0.52 -1.64 0.00 0.00 178.16 177.05 3gur h MET 197 N 0.74 0.00 0.00 1.82 2.86 0.12 -1.72 114.93 118.75 3gur h MET 197 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3gur h MET 197 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3gur h MET 197 CO -0.11 0.23 -0.44 1.63 1.06 0.00 0.00 176.91 179.28 3gur n LYS 198 N -3.53 0.24 -1.63 1.72 5.02 0.05 -4.85 118.16 115.19 3gur n LYS 198 Ca -0.01 0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 3gur n LYS 198 Cb 0.38 -1.68 0.18 0.00 -0.02 0.00 0.00 35.03 33.88 3gur n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gur s SER 199 N -4.11 2.84 0.00 4.39 1.04 -0.65 -4.98 113.70 112.24 3gur s SER 199 Ca 0.08 0.58 0.26 0.00 0.48 0.00 0.00 55.95 57.36 3gur s SER 199 Cb 0.14 -0.86 0.74 0.00 0.10 0.00 0.00 66.02 66.15 3gur s SER 199 CO 0.68 -2.93 1.56 -1.54 0.98 0.00 0.00 173.24 171.99 3gur n SER 200 N -3.96 1.16 0.10 7.02 3.41 -1.26 -3.66 113.62 116.42 3gur n SER 200 Ca 0.12 -1.01 0.13 0.00 -0.26 0.00 0.00 58.87 57.85 3gur n SER 200 Cb 0.60 0.14 0.44 0.00 -0.26 0.00 0.00 64.21 65.12 3gur n SER 200 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gur n ARG 201 N -0.50 0.22 -2.26 4.33 1.74 -1.26 -4.84 116.66 114.10 3gur n ARG 201 Ca 0.13 0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 3gur n ARG 201 Cb 0.36 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 3gur n ARG 201 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3gur s PHE 202 N -3.15 2.90 -0.62 -1.55 5.36 -1.24 -4.99 117.98 114.70 3gur s PHE 202 Ca 0.09 0.88 0.05 0.00 -0.96 0.00 0.00 56.93 56.99 3gur s PHE 202 Cb 0.12 -3.63 0.19 0.00 -0.34 0.00 0.00 43.02 39.36 3gur s PHE 202 CO 0.54 -2.27 0.50 -0.11 -1.46 0.00 0.00 175.22 172.42 3gur n LEU 203 N 5.36 2.22 0.17 6.12 7.94 -1.26 -4.92 117.00 132.63 3gur n LEU 203 Ca 0.13 -5.04 0.05 0.00 -1.11 0.00 0.00 56.01 50.04 3gur n LEU 203 Cb 0.44 -0.38 0.17 0.00 0.53 0.00 0.00 43.42 44.17 3gur n LEU 203 CO 0.58 1.84 0.59 1.55 -1.11 0.00 0.00 177.39 180.85 3gur h PRO 204 N 5.17 0.00 -5.04 1.96 0.13 -1.96 -3.36 132.00 128.90 3gur h PRO 204 Ca 0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.95 3gur h PRO 204 Cb 0.78 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.70 3gur h PRO 204 CO 0.65 0.39 -0.76 1.03 -0.23 0.00 0.00 178.00 179.07 3gur s ARG 205 N -3.20 0.71 0.42 0.86 1.81 -1.26 -4.35 118.95 113.93 3gur s ARG 205 Ca 0.03 -0.88 -0.22 0.00 -1.72 0.00 0.00 55.73 52.94 3gur s ARG 205 Cb 0.08 -0.62 -0.10 0.00 -0.45 0.00 0.00 34.95 33.86 3gur s ARG 205 CO 0.71 0.13 0.98 -1.25 -0.68 0.00 0.00 175.30 175.19 3gur s PRO 206 N -1.68 4.20 0.03 3.54 0.05 -1.26 -4.65 135.00 135.22 3gur s PRO 206 Ca -0.05 1.24 -0.24 0.00 0.05 0.00 0.00 61.00 62.00 3gur s PRO 206 Cb -0.10 -2.31 -0.17 0.00 0.05 0.00 0.00 34.50 31.97 3gur s PRO 206 CO 0.02 -0.07 1.44 0.28 0.05 0.00 0.00 177.00 178.72 3gur h VAL 207 N 1.99 1.26 -4.95 -0.36 2.07 -1.76 0.90 116.25 115.40 3gur h VAL 207 Ca -0.49 -0.78 -0.44 0.00 0.82 0.00 0.00 66.70 65.81 3gur h VAL 207 Cb 1.19 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 3gur h VAL 207 CO 0.61 0.21 -0.28 0.49 0.02 0.00 0.00 177.57 178.62 3gur n PHE 208 N -4.89 0.22 -1.84 1.57 3.72 -0.51 -0.51 117.46 115.21 3gur n PHE 208 Ca -0.07 -1.71 -0.29 0.00 -0.05 0.00 0.00 57.45 55.32 3gur n PHE 208 Cb 0.18 -0.26 0.15 0.00 -0.94 0.00 0.00 39.48 38.61 3gur n PHE 208 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gur s THR 209 N -2.15 1.98 0.39 4.37 -4.23 -1.26 -4.58 115.64 110.16 3gur s THR 209 Ca 0.08 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.94 3gur s THR 209 Cb -0.01 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.23 3gur s THR 209 CO 0.05 0.00 2.06 0.11 -0.54 0.00 0.00 174.62 176.30 3gur h LYS 210 N -1.45 0.00 0.00 3.99 1.57 -1.92 -1.38 116.57 117.38 3gur h LYS 210 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3gur h LYS 210 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gur h LYS 210 CO 0.51 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 179.91 3gur h MET 211 N 0.00 0.00 -6.82 3.15 2.86 -1.92 -3.46 114.93 108.74 3gur h MET 211 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 3gur h MET 211 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3gur h MET 211 CO 0.00 0.00 0.25 0.00 1.06 0.00 0.00 176.91 178.22 3gur s ALA 212 N -3.30 3.24 -0.07 6.32 0.00 -0.52 -4.90 121.76 122.54 3gur s ALA 212 Ca 0.05 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 3gur s ALA 212 Cb 0.10 -3.03 -0.28 0.00 0.00 0.00 0.00 23.12 19.91 3gur s ALA 212 CO 0.45 0.23 0.91 0.28 0.00 0.00 0.00 175.76 177.63 3gur h VAL 213 N 2.41 1.58 -3.17 0.00 2.07 -1.04 -3.43 116.25 114.68 3gur h VAL 213 Ca -0.48 -2.33 -0.64 0.00 0.82 0.00 0.00 66.70 64.07 3gur h VAL 213 Cb 1.19 3.11 -0.14 0.00 -1.52 0.00 0.00 31.29 33.93 3gur h VAL 213 CO 0.64 0.64 -0.56 0.86 0.02 0.00 0.00 177.57 179.17 3gur s TRP 214 N -2.59 3.29 -0.26 1.57 -0.00 -1.00 -4.77 118.94 115.19 3gur s TRP 214 Ca -0.15 0.18 -0.01 0.00 -0.00 0.00 0.00 56.10 56.12 3gur s TRP 214 Cb 0.00 -1.98 -0.02 0.00 -0.00 0.00 0.00 33.47 31.48 3gur s TRP 214 CO 0.78 0.34 0.23 0.41 -0.00 0.00 0.00 176.95 178.71 3gur n GLY 215 N 2.90 0.28 0.00 5.86 0.00 -1.26 -4.76 105.19 108.20 3gur n GLY 215 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3gur n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gur n ASN 216 N -1.87 2.83 0.00 1.61 6.94 -1.26 -1.43 115.26 122.08 3gur n ASN 216 Ca -0.02 -0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.33 3gur n ASN 216 Cb 0.53 1.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.95 3gur n ASN 216 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52