#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s PRO 5 N 0.00 4.60 0.56 1.97 0.02 -1.26 -4.93 135.00 135.96 3cma s PRO 5 Ca 0.00 1.73 0.33 0.00 0.02 0.00 0.00 61.00 63.08 3cma s PRO 5 Cb 0.00 -3.11 1.61 0.00 0.02 0.00 0.00 34.50 33.02 3cma s PRO 5 CO 0.00 0.20 2.10 0.00 -0.33 0.00 0.00 177.00 178.97 3cma h ALA 6 N 3.67 1.11 -0.09 -1.55 0.00 -2.01 -0.44 119.26 119.95 3cma h ALA 6 Ca -0.47 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.41 3cma h ALA 6 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cma h ALA 6 CO 0.66 0.08 0.20 0.66 0.00 0.00 0.00 179.25 180.85 3cma h SER 7 N 0.00 0.00 0.61 0.00 4.64 -2.00 0.30 113.55 117.09 3cma h SER 7 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3cma h SER 7 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3cma h SER 7 CO 0.01 0.00 -0.66 0.24 -0.87 0.00 0.00 176.83 175.55 3cma h MET 8 N 0.00 0.05 0.00 4.77 2.86 -1.46 -3.38 114.93 117.77 3cma h MET 8 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3cma h MET 8 Cb 0.44 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3cma h MET 8 CO -0.00 0.69 -0.11 0.66 1.06 0.00 0.00 176.91 179.20 3cma n TYR 9 N -3.77 0.00 0.09 -0.22 4.02 0.05 -4.89 117.16 112.44 3cma n TYR 9 Ca -0.01 -0.17 -0.04 0.00 -0.01 0.00 0.00 57.90 57.66 3cma n TYR 9 Cb 0.65 -0.03 0.13 0.00 -0.02 0.00 0.00 39.34 40.07 3cma n TYR 9 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 3cma h ARG 10 N 0.00 0.21 -6.87 -0.72 0.11 -0.70 -3.41 114.38 102.98 3cma h ARG 10 Ca 0.00 -0.14 -0.47 0.00 0.10 0.00 0.00 59.98 59.47 3cma h ARG 10 Cb 1.00 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 3cma h ARG 10 CO 0.00 0.75 0.20 -0.51 0.10 0.00 0.00 179.97 180.50 3cma s ASP 11 N -6.89 6.81 -0.98 0.08 1.01 -1.26 -0.84 116.67 114.59 3cma s ASP 11 Ca -0.04 1.43 -0.17 0.00 0.71 0.00 0.00 52.55 54.48 3cma s ASP 11 Cb 0.12 -2.44 0.14 0.00 1.01 0.00 0.00 42.92 41.76 3cma s ASP 11 CO 0.79 -0.29 1.17 -0.63 0.21 0.00 0.00 175.17 176.42 3cma s ILE 12 N -2.11 4.84 -0.11 0.77 1.01 -1.26 -4.74 121.20 119.61 3cma s ILE 12 Ca 0.57 -1.84 0.19 0.00 0.00 0.00 0.00 60.65 59.56 3cma s ILE 12 Cb -0.10 -4.79 0.43 0.00 0.01 0.00 0.00 42.46 38.01 3cma s ILE 12 CO 0.17 -1.51 1.19 -0.90 0.00 0.00 0.00 174.94 173.90 3cma n ASP 13 N 6.22 1.43 -3.89 3.58 5.68 -1.26 -5.07 116.55 123.23 3cma n ASP 13 Ca 0.26 -2.88 -0.09 0.00 -0.50 0.00 0.00 54.79 51.58 3cma n ASP 13 Cb 0.48 -0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 39.98 3cma n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3cma s LYS 14 N -1.63 0.95 0.97 0.11 1.02 -1.26 -5.16 119.74 114.75 3cma s LYS 14 Ca 0.36 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.21 3cma s LYS 14 Cb 0.38 0.35 0.18 0.00 -0.52 0.00 0.00 37.83 38.22 3cma s LYS 14 CO -0.12 -0.32 1.11 -2.14 -0.92 0.00 0.00 175.35 172.97 3cma s PRO 15 N -3.90 0.57 -0.01 -1.68 0.02 -1.26 -4.91 135.00 123.84 3cma s PRO 15 Ca 0.09 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 3cma s PRO 15 Cb 0.04 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.83 3cma s PRO 15 CO -0.07 -2.87 1.23 0.00 -0.33 0.00 0.00 177.00 174.95 3cma s ALA 16 N -2.62 3.47 -0.55 -1.55 0.00 -1.26 -4.96 121.76 114.29 3cma s ALA 16 Ca 0.67 0.73 0.04 0.00 0.00 0.00 0.00 51.96 53.40 3cma s ALA 16 Cb -0.23 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.54 3cma s ALA 16 CO 0.60 -0.67 0.35 -0.47 0.00 0.00 0.00 175.76 175.57 3cma s TYR 17 N 1.84 2.78 0.00 0.00 5.04 -1.26 -4.87 117.35 120.89 3cma s TYR 17 Ca 0.58 -2.95 0.00 0.00 -2.44 0.00 0.00 57.07 52.26 3cma s TYR 17 Cb -0.27 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 39.71 3cma s TYR 17 CO 0.25 -0.69 0.00 0.25 -1.34 0.00 0.00 175.55 174.02 3cma n THR 18 N 2.78 0.00 -1.66 4.34 -2.24 -1.26 -0.84 114.28 115.40 3cma n THR 18 Ca 0.14 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3cma n THR 18 Cb 0.35 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 3cma n THR 18 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3cma s ARG 19 N -0.85 1.66 0.65 -0.78 1.81 -1.26 -4.79 118.95 115.38 3cma s ARG 19 Ca 0.00 0.11 0.27 0.00 -1.72 0.00 0.00 55.73 54.40 3cma s ARG 19 Cb 0.00 -4.88 1.47 0.00 -0.45 0.00 0.00 34.95 31.08 3cma s ARG 19 CO 0.00 -4.54 1.84 0.00 -0.68 0.00 0.00 175.30 171.92 3cma h ARG 20 N 12.14 0.00 0.00 3.54 2.47 -1.95 0.14 114.38 130.72 3cma h ARG 20 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3cma h ARG 20 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3cma h ARG 20 CO 1.04 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 180.72 3cma n GLU 21 N -3.05 0.28 0.00 0.04 0.00 -1.26 -3.14 120.64 113.50 3cma n GLU 21 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.21 3cma n GLU 21 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.44 3cma n GLU 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3cma n TYR 22 N -1.34 0.00 -4.61 -1.84 4.02 0.47 -5.04 117.16 108.83 3cma n TYR 22 Ca 0.11 -0.10 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 3cma n TYR 22 Cb 0.23 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.40 3cma n TYR 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3cma s ILE 23 N -0.21 1.26 0.04 -0.72 1.01 -1.11 -5.09 121.20 116.38 3cma s ILE 23 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3cma s ILE 23 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3cma s ILE 23 CO 0.00 0.23 -0.00 0.42 0.00 0.00 0.00 174.94 175.59 3cma s THR 24 N -0.56 0.18 0.00 2.92 -4.23 -1.26 -4.75 115.64 107.93 3cma s THR 24 Ca 0.05 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3cma s THR 24 Cb -0.07 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3cma s THR 24 CO 0.00 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 3cma n GLY 25 N 0.54 0.43 3.65 3.99 0.00 -1.26 -4.85 105.19 107.69 3cma n GLY 25 Ca -0.17 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 3cma n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cma s ILE 26 N -2.00 3.88 0.49 -0.61 1.01 -1.26 -4.85 121.20 117.86 3cma s ILE 26 Ca 0.00 1.04 -0.24 0.00 0.00 0.00 0.00 60.65 61.45 3cma s ILE 26 Cb 0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 3cma s ILE 26 CO 0.00 -0.20 1.38 -2.84 0.00 0.00 0.00 174.94 173.28 3cma s PRO 27 N 4.09 3.48 0.65 2.79 0.02 -1.26 -4.97 135.00 139.80 3cma s PRO 27 Ca 0.65 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.81 3cma s PRO 27 Cb -0.25 -2.49 -0.00 0.00 0.02 0.00 0.00 34.50 31.77 3cma s PRO 27 CO 0.24 -0.94 1.19 0.20 -0.33 0.00 0.00 177.00 177.36 3cma s GLY 28 N -0.74 2.49 0.16 0.52 0.00 -1.26 -4.80 107.32 103.69 3cma s GLY 28 Ca 0.65 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 45.94 3cma s GLY 28 CO 0.51 1.26 1.26 -0.45 0.00 0.00 0.00 173.10 175.68 3cma s SER 29 N -1.94 6.99 0.00 1.64 0.15 -1.26 -4.91 113.70 114.37 3cma s SER 29 Ca 0.74 2.27 0.26 0.00 0.70 0.00 0.00 55.95 59.92 3cma s SER 29 Cb -0.28 -2.60 1.47 0.00 -1.71 0.00 0.00 66.02 62.90 3cma s SER 29 CO 0.38 -0.47 1.95 0.29 1.20 0.00 0.00 173.24 176.59 3cma n LYS 30 N 2.94 1.08 -2.51 5.44 5.02 -1.26 -4.78 118.16 124.08 3cma n LYS 30 Ca 0.06 -0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 3cma n LYS 30 Cb 0.44 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3cma n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3cma s ILE 31 N -1.99 4.27 0.15 -0.18 1.01 -1.26 -4.82 121.20 118.38 3cma s ILE 31 Ca 0.38 1.43 0.12 0.00 0.00 0.00 0.00 60.65 62.58 3cma s ILE 31 Cb 0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3cma s ILE 31 CO 0.30 -0.53 1.52 0.00 0.00 0.00 0.00 174.94 176.23 3cma h ALA 32 N 8.89 0.76 -2.48 9.38 0.00 -1.95 -3.47 119.26 130.39 3cma h ALA 32 Ca -0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 3cma h ALA 32 Cb 1.08 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 3cma h ALA 32 CO 1.04 0.83 0.18 -0.65 0.00 0.00 0.00 179.25 180.65 3cma s GLN 33 N -3.27 1.15 -0.01 0.00 -0.21 -1.26 -5.03 119.66 111.03 3cma s GLN 33 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.29 3cma s GLN 33 Cb 0.11 0.54 -0.02 0.00 1.00 0.00 0.00 33.01 34.64 3cma s GLN 33 CO 0.76 -0.43 0.01 0.72 -2.12 0.00 0.00 175.29 174.23 3cma n HIS 34 N 0.30 0.00 -3.71 0.91 8.25 -1.26 -4.88 115.22 114.83 3cma n HIS 34 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.91 3cma n HIS 34 Cb 0.61 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.54 3cma n HIS 34 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3cma s LYS 35 N -2.05 3.52 0.17 -0.41 -0.14 -1.26 -1.79 119.74 117.79 3cma s LYS 35 Ca -0.01 -0.58 0.06 0.00 -1.36 0.00 0.00 55.97 54.08 3cma s LYS 35 Cb 0.01 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3cma s LYS 35 CO 0.06 -0.29 -0.12 -1.64 -0.76 0.00 0.00 175.35 172.60 3cma s MET 36 N 1.62 1.17 1.34 1.68 -1.94 -0.56 -4.99 119.30 117.62 3cma s MET 36 Ca 0.05 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.54 3cma s MET 36 Cb -0.16 -0.83 0.00 0.00 2.01 0.00 0.00 34.83 35.85 3cma s MET 36 CO 0.05 0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 3cma n GLY 37 N -0.24 -1.84 3.56 -0.03 0.00 -1.26 -1.54 105.19 103.84 3cma n GLY 37 Ca -0.10 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3cma n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cma s ARG 38 N 0.00 2.34 -0.00 1.61 0.52 -0.45 -4.77 118.95 118.20 3cma s ARG 38 Ca 0.00 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3cma s ARG 38 Cb 0.00 -5.06 0.01 0.00 0.52 0.00 0.00 34.95 30.43 3cma s ARG 38 CO 0.00 -3.76 0.78 0.36 0.02 0.00 0.00 175.30 172.71 3cma n LYS 39 N 8.70 1.05 -0.00 3.54 2.85 -1.26 -2.85 118.16 130.19 3cma n LYS 39 Ca 0.42 -0.05 0.07 0.00 -1.05 0.00 0.00 58.31 57.71 3cma n LYS 39 Cb 0.46 -1.24 -0.10 0.00 -0.65 0.00 0.00 35.03 33.50 3cma n LYS 39 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3cma n GLN 40 N -0.25 1.49 -3.26 -1.58 6.02 -1.26 -4.96 117.38 113.58 3cma n GLN 40 Ca 0.00 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.65 3cma n GLN 40 Cb 0.13 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.09 3cma n GLN 40 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3cma s LYS 41 N -2.65 3.71 0.44 -1.09 2.20 -1.13 -5.09 119.74 116.13 3cma s LYS 41 Ca 0.02 0.17 -0.10 0.00 -0.36 0.00 0.00 55.97 55.70 3cma s LYS 41 Cb 0.11 -2.59 -0.06 0.00 -1.51 0.00 0.00 37.83 33.77 3cma s LYS 41 CO 0.62 0.19 0.80 -0.51 -0.36 0.00 0.00 175.35 176.10 3cma s ASP 42 N -2.95 6.47 0.53 1.43 1.01 -1.26 -4.97 116.67 116.93 3cma s ASP 42 Ca 0.46 1.15 0.30 0.00 0.71 0.00 0.00 52.55 55.18 3cma s ASP 42 Cb -0.11 -2.33 1.46 0.00 1.01 0.00 0.00 42.92 42.95 3cma s ASP 42 CO 0.28 -0.47 2.04 0.00 0.21 0.00 0.00 175.17 177.23 3cma h ALA 43 N 0.97 1.13 0.00 5.23 0.00 -1.97 -2.35 119.26 122.27 3cma h ALA 43 Ca -0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3cma h ALA 43 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3cma h ALA 43 CO 0.63 0.12 -0.17 -0.44 0.00 0.00 0.00 179.25 179.39 3cma h ASP 44 N 0.00 0.00 0.13 0.00 3.32 -2.00 -3.24 116.42 114.63 3cma h ASP 44 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cma h ASP 44 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3cma h ASP 44 CO 0.01 0.13 0.00 0.47 -1.72 0.00 0.00 179.24 178.13 3cma n ASP 45 N -3.11 0.00 -4.59 6.45 8.00 -0.88 -4.69 116.55 117.72 3cma n ASP 45 Ca 0.03 -0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.18 3cma n ASP 45 Cb 0.58 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 3cma n ASP 45 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3cma s TYR 46 N -2.36 2.79 0.11 1.24 1.51 -1.23 -5.03 117.35 114.37 3cma s TYR 46 Ca 0.13 -0.13 0.07 0.00 -1.01 0.00 0.00 57.07 56.13 3cma s TYR 46 Cb 0.08 -1.47 -0.21 0.00 -0.11 0.00 0.00 41.96 40.24 3cma s TYR 46 CO 0.16 0.42 1.24 -1.35 -1.11 0.00 0.00 175.55 174.90 3cma h PRO 47 N 3.75 0.01 -6.07 -1.71 0.11 -1.82 -3.46 132.00 122.80 3cma h PRO 47 Ca -0.49 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.93 3cma h PRO 47 Cb 1.17 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 3cma h PRO 47 CO 0.53 0.97 -0.72 0.08 -0.21 0.00 0.00 178.00 178.65 3cma s VAL 48 N -2.70 3.43 -0.27 3.15 1.01 0.04 -4.42 120.40 120.64 3cma s VAL 48 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3cma s VAL 48 Cb 0.10 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 34.17 3cma s VAL 48 CO 0.82 0.58 0.12 -1.58 0.00 0.00 0.00 175.10 175.04 3cma s GLN 49 N -0.59 0.21 -0.17 2.72 0.74 -1.12 -0.42 119.66 121.04 3cma s GLN 49 Ca 0.09 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 3cma s GLN 49 Cb -0.12 -1.36 -0.01 0.00 1.10 0.00 0.00 33.01 32.62 3cma s GLN 49 CO 0.02 -0.94 -0.09 0.42 -0.55 0.00 0.00 175.29 174.15 3cma s ILE 50 N 2.07 3.26 0.22 -2.34 1.01 -0.89 0.68 121.20 125.21 3cma s ILE 50 Ca 0.08 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.23 3cma s ILE 50 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3cma s ILE 50 CO -0.30 0.48 0.12 -0.44 0.00 0.00 0.00 174.94 174.79 3cma s SER 51 N 0.80 5.23 -0.31 3.58 0.01 -0.12 -0.43 113.70 122.46 3cma s SER 51 Ca -0.03 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 3cma s SER 51 Cb -0.15 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.83 3cma s SER 51 CO 0.01 0.02 0.13 -0.22 0.41 0.00 0.00 173.24 173.59 3cma s LEU 52 N -3.49 4.09 -0.15 2.44 2.96 0.19 -1.92 118.68 122.80 3cma s LEU 52 Ca 0.31 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3cma s LEU 52 Cb -0.08 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3cma s LEU 52 CO 0.23 -0.22 0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 3cma s ILE 53 N 1.56 4.48 0.12 6.68 1.01 0.68 -0.25 121.20 135.48 3cma s ILE 53 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 3cma s ILE 53 Cb -0.17 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 3cma s ILE 53 CO 0.05 0.52 0.95 -0.69 0.00 0.00 0.00 174.94 175.77 3cma s VAL 54 N -0.05 4.47 -0.94 2.92 1.01 -0.58 -0.36 120.40 126.87 3cma s VAL 54 Ca 0.05 2.05 0.24 0.00 0.00 0.00 0.00 61.98 64.32 3cma s VAL 54 Cb -0.12 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 3cma s VAL 54 CO 0.02 0.34 1.26 -0.62 0.00 0.00 0.00 175.10 176.09 3cma n GLU 55 N 2.66 0.05 -4.15 2.72 1.02 0.21 0.56 120.64 123.71 3cma n GLU 55 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 3cma n GLU 55 Cb 0.49 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 3cma n GLU 55 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3cma s GLU 56 N -3.03 0.77 0.19 3.49 2.02 -1.26 -4.57 118.70 116.31 3cma s GLU 56 Ca 0.09 -1.13 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 3cma s GLU 56 Cb 0.17 -0.37 -0.08 0.00 0.10 0.00 0.00 34.13 33.95 3cma s GLU 56 CO 0.75 0.04 1.05 0.99 0.02 0.00 0.00 175.26 178.11 3cma s THR 57 N -2.60 3.94 0.36 3.63 2.01 -1.26 -3.81 115.64 117.91 3cma s THR 57 Ca 0.04 1.74 -0.15 0.00 0.31 0.00 0.00 61.69 63.63 3cma s THR 57 Cb -0.02 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.43 3cma s THR 57 CO -0.01 0.33 0.74 0.68 -0.69 0.00 0.00 174.62 175.67 3cma s VAL 58 N -0.49 0.00 -0.15 3.82 -7.23 0.66 -4.82 120.40 112.18 3cma s VAL 58 Ca 0.47 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 3cma s VAL 58 Cb -0.28 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 33.95 3cma s VAL 58 CO 0.35 0.00 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.84 3cma s GLN 59 N -2.64 2.87 -0.21 4.82 -0.21 -0.02 0.18 119.66 124.45 3cma s GLN 59 Ca 0.16 -0.79 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3cma s GLN 59 Cb -0.05 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 3cma s GLN 59 CO 0.12 -0.12 0.02 -0.51 -2.12 0.00 0.00 175.29 172.67 3cma s LEU 60 N 1.09 3.32 0.50 2.90 1.43 -0.30 -4.44 118.68 123.18 3cma s LEU 60 Ca -0.01 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 3cma s LEU 60 Cb -0.14 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 3cma s LEU 60 CO -0.07 0.05 1.09 -0.13 0.23 0.00 0.00 176.35 177.51 3cma s ARG 61 N 1.11 3.63 0.38 1.70 0.52 -1.26 -0.38 118.95 124.65 3cma s ARG 61 Ca 0.03 1.52 0.11 0.00 -0.52 0.00 0.00 55.73 56.87 3cma s ARG 61 Cb -0.14 -2.12 0.90 0.00 0.52 0.00 0.00 34.95 34.11 3cma s ARG 61 CO 0.02 -0.60 1.90 1.12 0.02 0.00 0.00 175.30 177.76 3cma h HIS 62 N 1.52 0.68 -0.08 -0.53 2.07 -1.66 0.14 115.15 117.30 3cma h HIS 62 Ca -0.50 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.00 3cma h HIS 62 Cb 1.24 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 31.00 3cma h HIS 62 CO 0.54 0.27 -0.14 0.78 -3.07 0.00 0.00 177.93 176.31 3cma h GLY 63 N 0.59 0.13 0.91 6.13 0.00 -1.92 0.64 103.07 109.55 3cma h GLY 63 Ca 0.40 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 3cma h GLY 63 CO -0.16 0.07 -0.58 1.76 0.00 0.00 0.00 176.54 177.63 3cma h SER 64 N 0.11 0.65 -0.98 0.19 0.02 -1.07 -1.12 113.55 111.36 3cma h SER 64 Ca 0.02 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 3cma h SER 64 Cb 0.32 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3cma h SER 64 CO 0.02 1.22 0.63 -0.07 -1.14 0.00 0.00 176.83 177.49 3cma h LEU 65 N 0.14 1.14 -0.06 5.07 -0.00 -0.84 -1.84 115.31 118.92 3cma h LEU 65 Ca -0.05 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 3cma h LEU 65 Cb 1.23 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 3cma h LEU 65 CO 0.12 0.84 0.00 -0.08 -0.00 0.00 0.00 178.44 179.32 3cma h GLU 66 N 1.34 0.11 -0.58 1.13 4.57 -0.80 -0.52 114.58 119.83 3cma h GLU 66 Ca 0.36 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.57 3cma h GLU 66 Cb -0.13 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 3cma h GLU 66 CO -0.07 0.38 0.26 0.00 -1.18 0.00 0.00 179.01 178.39 3cma h ALA 67 N 0.73 0.75 -0.02 2.92 0.00 -0.91 0.57 119.26 123.29 3cma h ALA 67 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3cma h ALA 67 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3cma h ALA 67 CO 0.00 -0.12 -0.04 0.66 0.00 0.00 0.00 179.25 179.75 3cma h SER 68 N 0.49 0.07 -0.71 0.00 4.64 -1.35 0.20 113.55 116.89 3cma h SER 68 Ca 0.27 -0.59 0.09 0.00 -0.47 0.00 0.00 61.79 61.09 3cma h SER 68 Cb 0.26 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.26 3cma h SER 68 CO -0.23 0.65 0.36 -0.09 -0.87 0.00 0.00 176.83 176.65 3cma h ARG 69 N -0.51 0.60 0.72 4.77 2.43 -0.83 0.64 114.38 122.20 3cma h ARG 69 Ca -0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3cma h ARG 69 Cb 0.64 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3cma h ARG 69 CO 0.01 0.40 -0.34 1.25 -1.51 0.00 0.00 179.97 179.77 3cma h LEU 70 N 0.62 -0.82 -1.99 3.80 5.85 0.18 -1.57 115.31 121.37 3cma h LEU 70 Ca 0.35 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.27 3cma h LEU 70 Cb 0.35 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3cma h LEU 70 CO -0.26 -0.51 0.49 0.77 -0.34 0.00 0.00 178.44 178.59 3cma h SER 71 N -1.12 0.00 0.00 1.25 4.64 -0.68 0.11 113.55 117.75 3cma h SER 71 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3cma h SER 71 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3cma h SER 71 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3cma n ALA 72 N -2.57 -0.05 -0.39 5.18 0.00 0.19 -3.41 120.51 119.46 3cma n ALA 72 Ca 0.12 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.87 3cma n ALA 72 Cb 0.73 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.78 3cma n ALA 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3cma h ASN 73 N 0.00 0.30 -0.54 0.00 -0.73 -1.16 0.55 115.58 114.01 3cma h ASN 73 Ca 0.00 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.33 3cma h ASN 73 Cb 0.00 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.61 3cma h ASN 73 CO 0.00 -0.06 0.26 -0.09 -0.37 0.00 0.00 177.43 177.17 3cma h ARG 74 N 0.20 0.48 -0.11 6.67 2.43 -0.93 0.11 114.38 123.23 3cma h ARG 74 Ca 0.72 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.85 3cma h ARG 74 Cb 2.15 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3cma h ARG 74 CO -0.34 0.32 0.05 1.25 -1.51 0.00 0.00 179.97 179.74 3cma h HIS 75 N 0.49 0.17 -0.11 2.20 2.76 0.09 -2.28 115.15 118.47 3cma h HIS 75 Ca 0.25 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 3cma h HIS 75 Cb 0.19 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 3cma h HIS 75 CO -0.11 0.26 0.11 -0.07 -1.30 0.00 0.00 177.93 176.82 3cma h LEU 76 N 0.03 0.00 -0.07 0.26 3.38 -0.97 0.23 115.31 118.17 3cma h LEU 76 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cma h LEU 76 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3cma h LEU 76 CO -0.00 0.00 -0.11 -0.38 0.09 0.00 0.00 178.44 178.04 3cma n ILE 77 N -4.03 0.00 1.31 1.22 5.41 0.31 -1.70 119.36 121.89 3cma n ILE 77 Ca -0.00 -0.02 0.14 0.00 1.00 0.00 0.00 62.75 63.87 3cma n ILE 77 Cb 0.22 -0.26 0.58 0.00 -0.71 0.00 0.00 39.64 39.46 3cma n ILE 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3cma n LYS 78 N -1.28 0.53 -0.04 0.38 4.81 -1.26 -0.98 118.16 120.33 3cma n LYS 78 Ca 0.11 -0.18 -0.04 0.00 -0.87 0.00 0.00 58.31 57.33 3cma n LYS 78 Cb 0.30 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 3cma n LYS 78 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3cma n GLU 79 N -1.08 0.23 0.00 1.64 -0.58 0.81 -4.60 120.64 117.06 3cma n GLU 79 Ca 0.13 0.09 0.06 0.00 -0.42 0.00 0.00 57.16 57.02 3cma n GLU 79 Cb 0.29 -0.89 0.33 0.00 -0.57 0.00 0.00 31.44 30.60 3cma n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3cma n LEU 80 N -3.41 0.00 0.00 -4.62 4.77 -0.69 -4.97 117.00 108.09 3cma n LEU 80 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3cma n LEU 80 Cb 0.23 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3cma n LEU 80 CO 0.09 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3cma n GLY 81 N -0.27 -0.45 0.00 -0.72 0.00 -0.15 -2.14 105.19 101.46 3cma n GLY 81 Ca 0.07 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.40 3cma n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 82 N -0.45 0.55 -0.15 1.61 1.02 -1.26 -2.93 120.64 119.03 3cma n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cma n GLU 82 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3cma n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cma n GLU 83 N -0.70 0.00 -1.13 3.49 1.02 -1.26 -5.07 120.64 116.98 3cma n GLU 83 Ca 0.05 -0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.72 3cma n GLU 83 Cb 0.02 -0.08 0.02 0.00 -0.02 0.00 0.00 31.44 31.38 3cma n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cma n GLY 84 N 0.00 -3.66 3.52 0.62 0.00 -0.91 -4.72 105.19 100.03 3cma n GLY 84 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3cma n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cma n ASP 85 N 2.80 4.76 -3.77 1.61 2.03 -1.26 -4.49 116.55 118.23 3cma n ASP 85 Ca 0.04 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 3cma n ASP 85 Cb 0.49 -1.74 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 3cma n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3cma s TYR 86 N 4.50 -0.10 -0.24 -0.67 -0.85 -1.26 -4.30 117.35 114.43 3cma s TYR 86 Ca 0.54 -0.26 -0.13 0.00 -0.52 0.00 0.00 57.07 56.70 3cma s TYR 86 Cb 0.05 0.44 0.07 0.00 0.38 0.00 0.00 41.96 42.90 3cma s TYR 86 CO 0.07 -0.98 0.58 -1.59 -1.52 0.00 0.00 175.55 172.10 3cma s LYS 87 N -3.89 0.58 0.17 -3.49 -2.85 -0.83 -1.34 119.74 108.08 3cma s LYS 87 Ca 0.11 1.06 0.11 0.00 -1.00 0.00 0.00 55.97 56.25 3cma s LYS 87 Cb -0.02 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 3cma s LYS 87 CO -0.00 -0.16 -0.25 1.41 0.10 0.00 0.00 175.35 176.45 3cma s MET 88 N 1.59 1.46 -0.02 1.78 1.75 -0.59 -1.02 119.30 124.26 3cma s MET 88 Ca -0.10 -1.45 0.00 0.00 -1.25 0.00 0.00 55.69 52.90 3cma s MET 88 Cb -0.07 -1.84 0.02 0.00 2.84 0.00 0.00 34.83 35.78 3cma s MET 88 CO -0.17 0.41 0.01 0.99 -0.65 0.00 0.00 175.02 175.61 3cma s THR 89 N -1.44 0.07 -0.58 10.11 2.01 0.67 -1.49 115.64 124.99 3cma s THR 89 Ca 0.18 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.14 3cma s THR 89 Cb -0.09 -0.15 0.15 0.00 0.01 0.00 0.00 72.50 72.42 3cma s THR 89 CO 0.08 0.09 0.50 -0.22 -0.69 0.00 0.00 174.62 174.38 3cma s LEU 90 N 0.71 6.10 0.00 4.42 2.96 -0.74 -1.40 118.68 130.73 3cma s LEU 90 Ca -0.06 -2.07 0.22 0.00 -0.22 0.00 0.00 54.13 51.99 3cma s LEU 90 Cb -0.09 -2.13 0.95 0.00 0.50 0.00 0.00 46.19 45.42 3cma s LEU 90 CO -0.02 -0.72 1.70 -2.11 -1.32 0.00 0.00 176.35 173.88 3cma n ARG 91 N 4.79 0.04 -3.95 1.98 1.85 -1.05 -4.81 116.66 115.51 3cma n ARG 91 Ca -0.05 0.12 -0.31 0.00 -1.00 0.00 0.00 57.85 56.61 3cma n ARG 91 Cb 0.41 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 3cma n ARG 91 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3cma s LYS 92 N -2.94 3.34 -0.02 2.89 -0.14 -1.26 -5.11 119.74 116.49 3cma s LYS 92 Ca 0.12 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.27 3cma s LYS 92 Cb 0.14 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 3cma s LYS 92 CO 0.39 0.60 -0.15 -0.06 -0.76 0.00 0.00 175.35 175.37 3cma s PHE 93 N -1.50 1.41 -1.09 3.18 0.40 -1.26 -5.08 117.98 114.03 3cma s PHE 93 Ca 0.34 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.11 3cma s PHE 93 Cb -0.13 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 3cma s PHE 93 CO 0.27 -0.08 1.86 -1.25 0.70 0.00 0.00 175.22 176.72 3cma s PRO 94 N -0.13 2.83 0.03 0.24 0.04 -1.26 -4.55 135.00 132.20 3cma s PRO 94 Ca 0.01 -0.97 0.08 0.00 0.04 0.00 0.00 61.00 60.15 3cma s PRO 94 Cb -0.08 -5.23 -0.23 0.00 0.04 0.00 0.00 34.50 29.00 3cma s PRO 94 CO 0.00 -3.36 0.95 0.45 0.04 0.00 0.00 177.00 175.08 3cma h HIS 95 N 9.98 0.08 -2.94 0.56 3.86 -1.77 -3.39 115.15 121.53 3cma h HIS 95 Ca 0.20 -0.06 -0.54 0.00 -1.16 0.00 0.00 60.37 58.82 3cma h HIS 95 Cb 0.96 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 3cma h HIS 95 CO 1.25 1.07 0.81 -1.14 0.86 0.00 0.00 177.93 180.77 3cma s GLN 96 N -2.65 4.29 0.02 2.45 2.00 -0.19 -4.49 119.66 121.10 3cma s GLN 96 Ca -0.03 1.94 -0.19 0.00 -2.00 0.00 0.00 55.36 55.08 3cma s GLN 96 Cb 0.09 -3.55 -0.06 0.00 0.80 0.00 0.00 33.01 30.29 3cma s GLN 96 CO 0.83 -0.55 0.55 0.08 -0.50 0.00 0.00 175.29 175.70 3cma s VAL 97 N 2.27 4.88 0.01 1.34 1.01 -0.02 0.28 120.40 130.18 3cma s VAL 97 Ca 0.63 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.80 3cma s VAL 97 Cb -0.31 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3cma s VAL 97 CO 0.26 0.49 -0.10 -0.76 0.00 0.00 0.00 175.10 174.99 3cma s LEU 98 N -0.61 2.98 0.00 3.92 1.43 0.28 -4.79 118.68 121.89 3cma s LEU 98 Ca 0.29 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3cma s LEU 98 Cb -0.18 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3cma s LEU 98 CO 0.17 0.28 0.13 0.54 0.23 0.00 0.00 176.35 177.70 3cma n ARG 99 N 1.65 0.87 -3.48 1.70 1.74 -1.26 -1.09 116.66 116.79 3cma n ARG 99 Ca -0.16 -3.15 0.01 0.00 -0.77 0.00 0.00 57.85 53.78 3cma n ARG 99 Cb 0.52 0.66 -0.04 0.00 -1.02 0.00 0.00 32.46 32.59 3cma n ARG 99 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3cma s GLU 100 N -3.74 0.40 -1.27 5.56 2.12 -0.61 -4.76 118.70 116.40 3cma s GLU 100 Ca 0.10 1.00 -0.18 0.00 0.36 0.00 0.00 54.97 56.24 3cma s GLU 100 Cb -0.01 0.60 0.01 0.00 0.26 0.00 0.00 34.13 34.99 3cma s GLU 100 CO 0.06 -0.15 1.90 -1.71 -0.54 0.00 0.00 175.26 174.83 3cma n ASN 101 N 5.16 4.13 -3.99 -1.70 5.15 -1.26 -1.96 115.26 120.80 3cma n ASN 101 Ca -0.10 -2.84 -0.41 0.00 -0.60 0.00 0.00 54.58 50.63 3cma n ASN 101 Cb 0.51 -1.67 -0.01 0.00 -0.53 0.00 0.00 39.78 38.08 3cma n ASN 101 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3cma n LYS 102 N 7.75 3.94 -0.69 1.20 2.85 -1.26 -5.02 118.16 126.93 3cma n LYS 102 Ca 0.49 -4.55 0.00 0.00 -1.05 0.00 0.00 58.31 53.20 3cma n LYS 102 Cb 0.44 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 3cma n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3cma n ASP 114 N 1.54 -1.31 0.00 -5.58 -0.08 -1.26 -4.93 116.55 104.93 3cma n ASP 114 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 3cma n ASP 114 Cb 0.35 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.16 3cma n ASP 114 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cma n GLY 115 N 0.96 0.52 0.23 0.27 0.00 -1.26 -4.92 105.19 100.99 3cma n GLY 115 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3cma n GLY 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cma n MET 116 N -0.20 1.89 -2.24 1.61 2.81 -1.26 -4.87 117.12 114.85 3cma n MET 116 Ca 0.00 -0.64 -0.42 0.00 -1.81 0.00 0.00 57.70 54.83 3cma n MET 116 Cb 0.00 -1.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 3cma n MET 116 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3cma s ARG 117 N -1.21 4.32 -0.65 0.03 3.52 -1.26 -3.40 118.95 120.30 3cma s ARG 117 Ca 0.08 1.96 -0.12 0.00 -0.13 0.00 0.00 55.73 57.52 3cma s ARG 117 Cb 0.07 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3cma s ARG 117 CO 0.21 -0.48 0.64 0.00 -0.81 0.00 0.00 175.30 174.86 3cma n ALA 118 N 4.72 -2.65 0.98 6.12 0.00 -1.26 -4.86 120.51 123.56 3cma n ALA 118 Ca 0.12 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.85 3cma n ALA 118 Cb 0.44 -1.77 0.04 0.00 0.00 0.00 0.00 19.45 18.16 3cma n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma n ALA 119 N -1.47 3.03 -1.68 0.00 0.00 -1.22 -4.96 120.51 114.22 3cma n ALA 119 Ca -0.11 -0.66 -0.50 0.00 0.00 0.00 0.00 53.44 52.17 3cma n ALA 119 Cb 0.60 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 3cma n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cma n PHE 120 N 0.61 2.19 -1.11 0.00 7.35 -1.26 -4.53 117.46 120.70 3cma n PHE 120 Ca 0.11 0.22 -0.31 0.00 -0.76 0.00 0.00 57.45 56.72 3cma n PHE 120 Cb 0.52 -2.57 0.13 0.00 0.35 0.00 0.00 39.48 37.91 3cma n PHE 120 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3cma s GLY 121 N 2.95 1.66 0.29 7.13 0.00 -1.26 -4.83 107.32 113.25 3cma s GLY 121 Ca 0.90 0.22 -0.08 0.00 0.00 0.00 0.00 44.72 45.76 3cma s GLY 121 CO 0.51 0.63 0.59 -1.59 0.00 0.00 0.00 173.10 173.24 3cma s LYS 122 N -4.85 3.72 0.20 2.90 -2.85 -0.83 -4.60 119.74 113.44 3cma s LYS 122 Ca 0.63 0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 55.48 3cma s LYS 122 Cb -0.19 -2.60 -0.09 0.00 -2.06 0.00 0.00 37.83 32.89 3cma s LYS 122 CO 0.57 0.21 1.36 0.42 0.10 0.00 0.00 175.35 178.00 3cma s ILE 123 N -2.04 3.08 0.00 3.79 1.01 -1.26 -1.58 121.20 124.21 3cma s ILE 123 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3cma s ILE 123 Cb -0.11 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3cma s ILE 123 CO 0.27 0.12 0.00 1.33 0.00 0.00 0.00 174.94 176.66 3cma n VAL 124 N 2.78 0.00 -2.87 2.92 0.24 -0.25 -4.92 118.33 116.23 3cma n VAL 124 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3cma n VAL 124 Cb 0.42 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3cma n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cma n GLY 125 N 1.79 1.99 3.06 7.63 0.00 -1.05 -4.79 105.19 113.82 3cma n GLY 125 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3cma n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cma s THR 126 N -2.83 0.04 0.14 2.61 -4.23 -1.26 -0.56 115.64 109.55 3cma s THR 126 Ca 0.00 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 3cma s THR 126 Cb 0.00 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 3cma s THR 126 CO 0.00 -0.20 0.06 0.00 -0.54 0.00 0.00 174.62 173.95 3cma s ALA 127 N -0.66 0.93 -0.15 3.99 0.00 0.14 -1.56 121.76 124.46 3cma s ALA 127 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3cma s ALA 127 Cb -0.04 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 3cma s ALA 127 CO 0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 175.76 175.12 3cma s ALA 128 N -4.04 2.50 -0.09 0.00 0.00 0.48 -1.02 121.76 119.60 3cma s ALA 128 Ca 0.26 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 3cma s ALA 128 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3cma s ALA 128 CO 0.03 -0.00 0.92 1.03 0.00 0.00 0.00 175.76 177.74 3cma s ARG 129 N 0.77 4.43 -0.13 0.00 0.52 -1.26 -1.15 118.95 122.12 3cma s ARG 129 Ca -0.06 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3cma s ARG 129 Cb -0.15 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.82 3cma s ARG 129 CO 0.01 -0.21 -0.12 0.08 0.02 0.00 0.00 175.30 175.08 3cma s VAL 130 N 1.65 1.34 0.40 3.52 1.01 0.13 -4.99 120.40 123.45 3cma s VAL 130 Ca 0.45 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 3cma s VAL 130 Cb -0.18 -1.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.81 3cma s VAL 130 CO 0.19 0.42 0.95 -1.10 0.00 0.00 0.00 175.10 175.56 3cma s GLN 131 N 1.49 4.31 0.60 2.72 -1.52 -1.26 -0.24 119.66 125.77 3cma s GLN 131 Ca 0.03 1.20 -0.18 0.00 -1.95 0.00 0.00 55.36 54.46 3cma s GLN 131 Cb -0.13 -2.36 -0.06 0.00 -0.22 0.00 0.00 33.01 30.24 3cma s GLN 131 CO -0.08 0.04 0.79 0.00 -0.25 0.00 0.00 175.29 175.79 3cma n ALA 132 N -0.30 -0.38 0.00 6.09 0.00 -1.25 -2.01 120.51 122.67 3cma n ALA 132 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3cma n ALA 132 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3cma n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 133 N 1.48 2.98 3.81 0.00 0.00 0.19 -4.93 105.19 108.72 3cma n GLY 133 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3cma n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 134 N -0.01 2.66 -0.26 1.61 2.02 -0.85 -4.75 118.70 119.11 3cma s GLU 134 Ca 0.00 0.85 -0.14 0.00 0.02 0.00 0.00 54.97 55.70 3cma s GLU 134 Cb 0.00 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 3cma s GLU 134 CO 0.00 -1.27 0.34 -0.65 0.02 0.00 0.00 175.26 173.70 3cma s GLN 135 N -5.08 4.02 -0.18 1.61 -0.21 -1.26 -1.53 119.66 117.03 3cma s GLN 135 Ca 0.59 -0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.72 3cma s GLN 135 Cb -0.14 -3.64 -0.22 0.00 1.00 0.00 0.00 33.01 30.01 3cma s GLN 135 CO 0.55 -0.23 0.41 1.25 -2.12 0.00 0.00 175.29 175.15 3cma h LEU 136 N 8.46 0.01 -9.16 2.90 5.85 -1.00 -3.45 115.31 118.92 3cma h LEU 136 Ca -0.33 -0.69 -0.55 0.00 0.84 0.00 0.00 57.88 57.16 3cma h LEU 136 Cb 1.17 -0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 3cma h LEU 136 CO 0.64 1.33 -0.72 -0.36 -0.34 0.00 0.00 178.44 178.99 3cma s PHE 137 N -2.32 2.10 -0.20 1.25 0.40 -1.20 -2.53 117.98 115.47 3cma s PHE 137 Ca -0.25 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.48 3cma s PHE 137 Cb 0.03 -1.06 0.08 0.00 0.51 0.00 0.00 43.02 42.58 3cma s PHE 137 CO 0.63 0.50 0.46 0.99 0.70 0.00 0.00 175.22 178.50 3cma s THR 138 N -2.76 -0.39 0.33 0.64 2.01 -0.49 -0.64 115.64 114.33 3cma s THR 138 Ca 0.29 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.48 3cma s THR 138 Cb -0.00 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 3cma s THR 138 CO 0.13 0.05 0.13 0.00 -0.69 0.00 0.00 174.62 174.23 3cma s ALA 139 N 2.11 3.46 -0.08 7.40 0.00 0.43 -0.23 121.76 134.85 3cma s ALA 139 Ca -0.06 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 3cma s ALA 139 Cb -0.10 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.29 3cma s ALA 139 CO -0.14 0.08 0.14 0.71 0.00 0.00 0.00 175.76 176.55 3cma s TYR 140 N -2.39 -0.14 0.23 0.00 1.51 -0.19 -2.10 117.35 114.26 3cma s TYR 140 Ca 0.37 0.55 0.02 0.00 -1.01 0.00 0.00 57.07 57.00 3cma s TYR 140 Cb -0.03 -0.28 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 3cma s TYR 140 CO 0.22 -0.25 0.26 0.00 -1.11 0.00 0.00 175.55 174.67 3cma s ASN 142 N -2.54 6.39 0.63 0.00 0.01 -1.26 -0.78 114.94 117.38 3cma s ASN 142 Ca 0.24 0.41 0.23 0.00 -0.71 0.00 0.00 52.86 53.03 3cma s ASN 142 Cb 0.00 -2.01 1.09 0.00 0.41 0.00 0.00 41.25 40.74 3cma s ASN 142 CO 0.17 -0.06 1.58 0.58 -1.51 0.00 0.00 177.10 177.86 3cma h VAL 143 N 1.51 0.11 0.29 1.60 2.07 -1.96 -2.39 116.25 117.49 3cma h VAL 143 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3cma h VAL 143 Cb 1.19 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3cma h VAL 143 CO 0.68 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.80 3cma h GLU 144 N 0.00 -0.38 -1.48 1.57 5.08 -2.01 -3.29 114.58 114.07 3cma h GLU 144 Ca 0.20 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3cma h GLU 144 Cb 1.68 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.02 3cma h GLU 144 CO -0.00 -0.25 0.00 -0.25 -1.00 0.00 0.00 179.01 177.51 3cma n ASP 145 N -3.71 3.50 0.05 1.42 8.00 -0.90 -3.95 116.55 120.96 3cma n ASP 145 Ca -0.05 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.41 3cma n ASP 145 Cb 0.15 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.46 3cma n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma h ALA 146 N 1.73 0.40 0.00 2.24 0.00 -1.62 -3.16 119.26 118.86 3cma h ALA 146 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3cma h ALA 146 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3cma h ALA 146 CO 0.00 1.28 -0.32 0.39 0.00 0.00 0.00 179.25 180.60 3cma n GLU 147 N -3.32 0.16 0.10 0.00 -0.58 -1.25 -3.03 120.64 112.72 3cma n GLU 147 Ca -0.04 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.55 3cma n GLU 147 Cb 0.97 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 30.05 3cma n GLU 147 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3cma h HIS 148 N 0.00 0.77 -0.22 -0.32 3.86 -1.84 -2.97 115.15 114.44 3cma h HIS 148 Ca 0.00 -0.57 -0.13 0.00 -1.16 0.00 0.00 60.37 58.52 3cma h HIS 148 Cb 0.64 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3cma h HIS 148 CO 0.00 1.57 -0.40 -0.24 0.86 0.00 0.00 177.93 179.72 3cma h VAL 149 N 0.12 1.30 -0.33 2.45 3.04 -1.62 -1.08 116.25 120.13 3cma h VAL 149 Ca -0.28 -1.55 -0.06 0.00 -1.01 0.00 0.00 66.70 63.80 3cma h VAL 149 Cb 2.11 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 32.94 3cma h VAL 149 CO 0.22 0.48 -0.05 0.11 -1.01 0.00 0.00 177.57 177.33 3cma h LYS 150 N 0.42 0.54 0.00 4.17 1.57 -1.62 -0.79 116.57 120.85 3cma h LYS 150 Ca 0.04 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 3cma h LYS 150 Cb 0.88 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3cma h LYS 150 CO 0.07 0.60 -0.64 1.49 -0.57 0.00 0.00 179.45 180.40 3cma h GLU 151 N 0.51 0.00 -0.18 3.15 4.57 -1.27 -1.99 114.58 119.36 3cma h GLU 151 Ca 0.10 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 3cma h GLU 151 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3cma h GLU 151 CO 0.02 0.64 -0.37 0.00 -1.18 0.00 0.00 179.01 178.12 3cma h ALA 152 N 1.36 0.29 -0.54 2.92 0.00 -0.51 -2.74 119.26 120.04 3cma h ALA 152 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3cma h ALA 152 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3cma h ALA 152 CO 0.08 0.37 0.09 0.74 0.00 0.00 0.00 179.25 180.53 3cma h PHE 153 N 0.23 0.88 -0.91 0.00 0.05 -1.13 -0.95 116.94 115.12 3cma h PHE 153 Ca 0.01 -0.10 0.03 0.00 3.82 0.00 0.00 57.97 61.73 3cma h PHE 153 Cb 0.97 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 38.61 3cma h PHE 153 CO 0.09 0.76 0.59 -0.09 -0.18 0.00 0.00 178.31 179.49 3cma h ARG 154 N 0.81 1.11 0.00 1.51 2.43 -1.28 0.20 114.38 119.16 3cma h ARG 154 Ca 0.17 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3cma h ARG 154 Cb 0.36 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3cma h ARG 154 CO 0.01 0.73 -0.49 0.00 -1.51 0.00 0.00 179.97 178.71 3cma h ARG 155 N 1.14 0.00 -0.09 0.20 3.08 -1.11 -3.25 114.38 114.35 3cma h ARG 155 Ca 0.36 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.34 3cma h ARG 155 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3cma h ARG 155 CO -0.12 0.49 -0.21 0.00 -1.07 0.00 0.00 179.97 179.06 3cma h ALA 156 N 1.51 0.15 0.00 0.04 0.00 0.33 -3.11 119.26 118.18 3cma h ALA 156 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3cma h ALA 156 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3cma h ALA 156 CO 0.06 0.11 0.00 2.48 0.00 0.00 0.00 179.25 181.90 3cma n TYR 157 N -4.52 0.00 1.38 0.00 0.18 -0.25 -1.30 117.16 112.65 3cma n TYR 157 Ca -0.07 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.84 3cma n TYR 157 Cb 0.42 0.00 0.43 0.00 -0.38 0.00 0.00 39.34 39.81 3cma n TYR 157 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3cma n ASN 158 N -0.98 1.67 -0.08 9.48 3.02 -1.17 -3.98 115.26 123.23 3cma n ASN 158 Ca 0.11 -1.50 0.04 0.00 -0.03 0.00 0.00 54.58 53.19 3cma n ASN 158 Cb 0.05 0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 3cma n ASN 158 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3cma n LYS 159 N 0.24 1.72 -4.70 3.52 5.02 -0.42 -5.03 118.16 118.52 3cma n LYS 159 Ca 0.17 -1.71 -0.31 0.00 -2.02 0.00 0.00 58.31 54.45 3cma n LYS 159 Cb 0.39 -1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 34.26 3cma n LYS 159 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3cma s ILE 160 N -1.44 1.11 -0.15 -0.18 -4.36 -1.25 -4.64 121.20 110.30 3cma s ILE 160 Ca 0.11 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.25 3cma s ILE 160 Cb 0.10 -2.28 -0.24 0.00 1.25 0.00 0.00 42.46 41.29 3cma s ILE 160 CO 0.01 0.00 0.58 0.74 0.24 0.00 0.00 174.94 176.51 3cma h THR 161 N 1.49 1.43 -4.20 8.37 2.02 -1.93 -3.48 112.91 116.60 3cma h THR 161 Ca -0.42 -2.31 -0.47 0.00 0.77 0.00 0.00 66.41 63.98 3cma h THR 161 Cb 1.30 2.95 0.02 0.00 -1.74 0.00 0.00 68.15 70.67 3cma h THR 161 CO 0.71 0.53 0.38 -2.16 0.37 0.00 0.00 175.52 175.34 3cma s PRO 162 N -2.30 3.93 0.62 6.66 0.04 -1.26 -5.05 135.00 137.64 3cma s PRO 162 Ca -0.22 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 61.60 3cma s PRO 162 Cb 0.01 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3cma s PRO 162 CO 0.67 -0.28 1.11 -1.12 0.04 0.00 0.00 177.00 177.42 3cma s SER 163 N -3.12 5.33 0.19 6.66 0.01 -1.26 -4.80 113.70 116.72 3cma s SER 163 Ca 0.59 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.91 3cma s SER 163 Cb -0.10 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 3cma s SER 163 CO 0.32 -1.48 0.00 0.00 0.41 0.00 0.00 173.24 172.50 3cma s ARG 165 N -3.90 2.81 -0.98 0.00 0.52 0.52 -4.94 118.95 112.97 3cma s ARG 165 Ca 0.26 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 3cma s ARG 165 Cb 0.06 -2.20 0.24 0.00 0.52 0.00 0.00 34.95 33.56 3cma s ARG 165 CO 0.06 0.24 0.98 0.42 0.02 0.00 0.00 175.30 177.02 3cma s ILE 166 N 0.18 5.70 0.13 1.52 1.01 -1.26 -0.23 121.20 128.25 3cma s ILE 166 Ca -0.13 -2.84 -0.25 0.00 0.00 0.00 0.00 60.65 57.42 3cma s ILE 166 Cb -0.16 -4.58 -0.07 0.00 0.01 0.00 0.00 42.46 37.66 3cma s ILE 166 CO 0.07 -1.16 0.78 -0.75 0.00 0.00 0.00 174.94 173.88 3cma s LYS 167 N -0.22 4.55 -0.34 2.79 2.20 -0.81 -4.92 119.74 123.00 3cma s LYS 167 Ca 0.26 1.14 -0.16 0.00 -0.36 0.00 0.00 55.97 56.85 3cma s LYS 167 Cb -0.09 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 3cma s LYS 167 CO -0.08 0.47 0.41 0.08 -0.36 0.00 0.00 175.35 175.87 3cma s VAL 168 N -0.77 5.12 -0.16 4.02 1.01 -1.26 -0.95 120.40 127.41 3cma s VAL 168 Ca 0.37 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 3cma s VAL 168 Cb -0.22 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 3cma s VAL 168 CO 0.25 -0.13 0.41 -0.08 0.00 0.00 0.00 175.10 175.56 3cma h GLU 169 N 8.45 0.10 -3.12 2.72 4.57 -0.13 -3.42 114.58 123.75 3cma h GLU 169 Ca -0.29 -0.17 -0.63 0.00 -1.18 0.00 0.00 59.36 57.09 3cma h GLU 169 Cb 1.14 0.06 -0.41 0.00 -0.16 0.00 0.00 28.75 29.38 3cma h GLU 169 CO 0.72 1.08 -0.50 1.03 -1.18 0.00 0.00 179.01 180.16 3cma s ARG 170 N -2.40 2.59 -0.29 1.92 0.52 -1.01 -4.93 118.95 115.35 3cma s ARG 170 Ca -0.24 -3.35 0.04 0.00 -0.52 0.00 0.00 55.73 51.65 3cma s ARG 170 Cb 0.04 -3.50 0.19 0.00 0.52 0.00 0.00 34.95 32.20 3cma s ARG 170 CO 0.67 -1.28 0.57 0.20 0.02 0.00 0.00 175.30 175.48 3cma s GLY 171 N -1.29 -1.12 -0.06 -3.53 0.00 -1.26 -2.79 107.32 97.26 3cma s GLY 171 Ca 0.25 1.20 0.15 0.00 0.00 0.00 0.00 44.72 46.33 3cma s GLY 171 CO -0.16 3.53 1.41 1.18 0.00 0.00 0.00 173.10 179.06 3cma n GLU 172 N 5.42 3.08 -1.79 2.90 -0.58 -1.26 -4.68 120.64 123.73 3cma n GLU 172 Ca 0.03 -2.48 -0.34 0.00 -0.42 0.00 0.00 57.16 53.95 3cma n GLU 172 Cb 0.53 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 3cma n GLU 172 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3cma n GLU 173 N 0.58 3.12 0.00 3.49 4.71 -1.26 -5.27 120.64 126.01 3cma n GLU 173 Ca 0.18 -3.05 0.00 0.00 -0.01 0.00 0.00 57.16 54.29 3cma n GLU 173 Cb 0.65 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.80 3cma n GLU 173 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11