#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehw s LEU 26 N 0.00 4.88 -0.04 1.69 0.20 -1.26 -3.87 118.68 120.29 3ehw s LEU 26 Ca 0.00 -0.69 -0.12 0.00 0.69 0.00 0.00 54.13 54.00 3ehw s LEU 26 Cb 0.00 -2.24 -0.05 0.00 -0.43 0.00 0.00 46.19 43.46 3ehw s LEU 26 CO 0.00 -0.45 0.33 -0.13 -0.29 0.00 0.00 176.35 175.81 3ehw s ARG 27 N 1.86 3.79 0.04 1.98 0.52 -1.00 -4.97 118.95 121.16 3ehw s ARG 27 Ca 0.08 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.51 3ehw s ARG 27 Cb -0.18 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3ehw s ARG 27 CO 0.11 0.70 -0.00 -0.59 0.02 0.00 0.00 175.30 175.54 3ehw s PHE 28 N -1.01 0.37 0.00 -0.53 -0.12 -1.26 -0.04 117.98 115.40 3ehw s PHE 28 Ca 0.21 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.34 3ehw s PHE 28 Cb -0.15 -0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3ehw s PHE 28 CO 0.10 -0.32 -0.12 0.00 -0.05 0.00 0.00 175.22 174.83 3ehw s ALA 29 N -2.93 1.00 0.04 1.99 0.00 -0.09 -4.98 121.76 116.80 3ehw s ALA 29 Ca -0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 3ehw s ALA 29 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3ehw s ALA 29 CO -0.06 0.23 0.90 1.03 0.00 0.00 0.00 175.76 177.85 3ehw s ARG 30 N -0.52 4.58 0.00 0.00 0.52 -1.26 -1.02 118.95 121.26 3ehw s ARG 30 Ca 0.03 1.30 0.24 0.00 -0.52 0.00 0.00 55.73 56.78 3ehw s ARG 30 Cb -0.05 -3.41 0.31 0.00 0.52 0.00 0.00 34.95 32.32 3ehw s ARG 30 CO -0.00 0.13 1.28 1.28 0.02 0.00 0.00 175.30 178.01 3ehw n LEU 31 N 3.23 0.75 -3.87 2.53 4.77 0.23 -4.94 117.00 119.70 3ehw n LEU 31 Ca 0.02 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 3ehw n LEU 31 Cb 0.50 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3ehw n LEU 31 CO 0.50 0.18 0.44 -0.94 -1.33 0.00 0.00 177.39 176.24 3ehw s SER 32 N -2.93 0.19 0.01 -1.43 1.04 -1.25 -5.03 113.70 104.31 3ehw s SER 32 Ca 0.12 -1.20 0.24 0.00 0.48 0.00 0.00 55.95 55.60 3ehw s SER 32 Cb 0.17 0.81 1.03 0.00 0.10 0.00 0.00 66.02 68.13 3ehw s SER 32 CO 0.72 -1.59 1.78 -0.62 0.98 0.00 0.00 173.24 174.51 3ehw n GLU 33 N -0.53 0.01 0.07 4.02 -0.58 -1.26 -3.41 120.64 118.96 3ehw n GLU 33 Ca -0.06 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 3ehw n GLU 33 Cb 0.60 -1.52 0.30 0.00 -0.57 0.00 0.00 31.44 30.26 3ehw n GLU 33 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ehw n HIS 34 N -1.54 0.62 -2.41 -0.32 8.25 -1.26 -4.89 115.22 113.67 3ehw n HIS 34 Ca 0.06 0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 57.36 3ehw n HIS 34 Cb 0.29 -0.73 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 3ehw n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ehw s ALA 35 N -3.12 2.82 -0.07 -1.41 0.00 -1.22 -4.40 121.76 114.37 3ehw s ALA 35 Ca 0.09 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.69 3ehw s ALA 35 Cb 0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 3ehw s ALA 35 CO 0.66 -0.47 -0.21 0.99 0.00 0.00 0.00 175.76 176.73 3ehw s THR 36 N -2.04 1.74 -0.06 0.00 2.01 -1.26 -5.04 115.64 110.99 3ehw s THR 36 Ca 0.67 -0.87 -0.37 0.00 0.31 0.00 0.00 61.69 61.43 3ehw s THR 36 Cb -0.17 -1.50 -0.15 0.00 0.01 0.00 0.00 72.50 70.69 3ehw s THR 36 CO 0.24 0.49 1.63 0.00 -0.69 0.00 0.00 174.62 176.29 3ehw n ALA 37 N 3.27 0.03 -1.63 7.40 0.00 -1.26 -4.66 120.51 123.66 3ehw n ALA 37 Ca -0.19 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 3ehw n ALA 37 Cb 0.52 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.76 3ehw n ALA 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ehw n PRO 38 N 4.48 1.13 -4.14 0.00 -0.02 -1.26 -4.95 135.00 130.24 3ehw n PRO 38 Ca 0.22 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3ehw n PRO 38 Cb 0.21 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 3ehw n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ehw s THR 39 N -1.43 0.63 -0.08 3.45 -4.23 -1.15 -4.89 115.64 107.94 3ehw s THR 39 Ca 0.72 -1.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.35 3ehw s THR 39 Cb -0.45 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 3ehw s THR 39 CO 0.50 -0.75 0.50 -0.13 -0.54 0.00 0.00 174.62 174.19 3ehw s ARG 40 N -3.24 4.28 0.38 3.99 0.52 -1.26 0.11 118.95 123.73 3ehw s ARG 40 Ca 0.06 0.51 0.18 0.00 -0.52 0.00 0.00 55.73 55.96 3ehw s ARG 40 Cb 0.01 -3.39 0.70 0.00 0.52 0.00 0.00 34.95 32.80 3ehw s ARG 40 CO -0.04 0.27 1.75 0.78 0.02 0.00 0.00 175.30 178.08 3ehw h GLY 41 N 6.23 0.00 -2.80 -3.53 0.00 -1.94 -3.46 103.07 97.56 3ehw h GLY 41 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3ehw h GLY 41 CO 0.72 0.00 -0.22 -1.35 0.00 0.00 0.00 176.54 175.69 3ehw s SER 42 N -6.48 -0.04 0.23 0.19 1.04 -1.26 -5.02 113.70 102.36 3ehw s SER 42 Ca -0.00 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.67 3ehw s SER 42 Cb 0.11 0.46 0.41 0.00 0.10 0.00 0.00 66.02 67.10 3ehw s SER 42 CO 0.69 -0.91 1.72 0.00 0.98 0.00 0.00 173.24 175.72 3ehw h ALA 43 N 2.48 0.94 -0.53 5.32 0.00 -2.02 -1.59 119.26 123.85 3ehw h ALA 43 Ca -0.31 0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 3ehw h ALA 43 Cb 1.23 0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.96 3ehw h ALA 43 CO 0.47 -0.25 0.01 0.54 0.00 0.00 0.00 179.25 180.02 3ehw n ARG 44 N -5.05 2.15 -1.74 0.00 5.12 -1.26 -5.03 116.66 110.85 3ehw n ARG 44 Ca 0.13 -3.29 -0.42 0.00 -1.93 0.00 0.00 57.85 52.33 3ehw n ARG 44 Cb 0.39 -1.96 -0.01 0.00 -1.16 0.00 0.00 32.46 29.72 3ehw n ARG 44 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ehw n ALA 45 N -1.07 2.36 0.22 7.54 0.00 -0.60 -4.89 120.51 124.08 3ehw n ALA 45 Ca 0.41 0.37 0.06 0.00 0.00 0.00 0.00 53.44 54.27 3ehw n ALA 45 Cb 1.08 -2.43 0.50 0.00 0.00 0.00 0.00 19.45 18.59 3ehw n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ehw h ALA 46 N 4.27 1.52 -2.65 0.00 0.00 -1.96 -3.45 119.26 116.98 3ehw h ALA 46 Ca -0.48 -0.21 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 3ehw h ALA 46 Cb 1.23 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3ehw h ALA 46 CO 0.75 0.28 -0.78 0.20 0.00 0.00 0.00 179.25 179.71 3ehw s GLY 47 N -4.23 1.64 -0.19 0.00 0.00 -1.26 -4.37 107.32 98.91 3ehw s GLY 47 Ca -0.03 -1.68 -0.16 0.00 0.00 0.00 0.00 44.72 42.85 3ehw s GLY 47 CO 0.68 -1.75 0.38 -0.19 0.00 0.00 0.00 173.10 172.23 3ehw s TYR 48 N -2.24 3.39 0.19 1.90 1.51 -0.28 -4.40 117.35 117.43 3ehw s TYR 48 Ca 0.23 0.61 -0.31 0.00 -1.01 0.00 0.00 57.07 56.60 3ehw s TYR 48 Cb -0.05 -2.50 -0.09 0.00 -0.11 0.00 0.00 41.96 39.21 3ehw s TYR 48 CO 0.10 0.03 1.42 -0.51 -1.11 0.00 0.00 175.55 175.48 3ehw s ASP 49 N 0.96 6.74 -0.14 2.29 1.01 0.30 0.12 116.67 127.96 3ehw s ASP 49 Ca 0.19 2.51 -0.07 0.00 0.71 0.00 0.00 52.55 55.89 3ehw s ASP 49 Cb -0.15 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 3ehw s ASP 49 CO 0.08 -0.67 0.10 -0.76 0.21 0.00 0.00 175.17 174.13 3ehw s LEU 50 N 0.30 4.15 -0.13 1.23 1.43 0.16 -2.94 118.68 122.87 3ehw s LEU 50 Ca 0.62 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 3ehw s LEU 50 Cb -0.40 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3ehw s LEU 50 CO 0.37 0.34 -0.00 -0.31 0.23 0.00 0.00 176.35 176.97 3ehw s TYR 51 N -0.60 3.12 0.35 0.29 2.02 -1.26 -1.63 117.35 119.64 3ehw s TYR 51 Ca 0.12 0.00 -0.28 0.00 -0.37 0.00 0.00 57.07 56.54 3ehw s TYR 51 Cb -0.12 -1.89 -0.11 0.00 -0.40 0.00 0.00 41.96 39.44 3ehw s TYR 51 CO 0.02 0.24 1.44 0.45 -1.57 0.00 0.00 175.55 176.13 3ehw s SER 52 N -0.24 6.48 0.00 2.29 0.15 -0.10 -4.47 113.70 117.81 3ehw s SER 52 Ca 0.05 2.92 0.25 0.00 0.70 0.00 0.00 55.95 59.87 3ehw s SER 52 Cb -0.12 -2.66 0.42 0.00 -1.71 0.00 0.00 66.02 61.95 3ehw s SER 52 CO 0.02 -0.77 1.35 0.00 1.20 0.00 0.00 173.24 175.04 3ehw n ALA 53 N 0.80 3.65 -2.39 5.45 0.00 -0.27 -0.49 120.51 127.25 3ehw n ALA 53 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 3ehw n ALA 53 Cb 0.40 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 3ehw n ALA 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ehw s TYR 54 N -3.01 0.74 0.15 0.00 2.02 -1.26 -4.79 117.35 111.20 3ehw s TYR 54 Ca 0.10 -1.08 -0.27 0.00 -0.37 0.00 0.00 57.07 55.45 3ehw s TYR 54 Cb 0.17 -0.32 -0.07 0.00 -0.40 0.00 0.00 41.96 41.34 3ehw s TYR 54 CO 0.72 -0.63 0.85 -0.51 -1.57 0.00 0.00 175.55 174.41 3ehw s ASP 55 N -3.04 7.44 0.01 2.29 1.01 -1.26 -2.92 116.67 120.20 3ehw s ASP 55 Ca 0.24 1.71 0.01 0.00 0.71 0.00 0.00 52.55 55.22 3ehw s ASP 55 Cb 0.06 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3ehw s ASP 55 CO 0.03 0.11 -0.04 -0.31 0.21 0.00 0.00 175.17 175.18 3ehw s TYR 56 N -0.74 0.33 -0.22 4.23 2.02 0.47 -4.96 117.35 118.48 3ehw s TYR 56 Ca 0.40 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3ehw s TYR 56 Cb -0.23 -0.21 0.02 0.00 -0.40 0.00 0.00 41.96 41.13 3ehw s TYR 56 CO 0.28 -0.07 -0.11 0.99 -1.57 0.00 0.00 175.55 175.07 3ehw s THR 57 N -0.70 2.67 -0.35 -0.71 2.01 -1.26 0.48 115.64 117.79 3ehw s THR 57 Ca -0.06 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 3ehw s THR 57 Cb -0.05 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.23 3ehw s THR 57 CO -0.00 0.37 0.15 -0.63 -0.69 0.00 0.00 174.62 173.82 3ehw s ILE 58 N 1.34 4.24 0.95 1.82 1.01 0.13 -4.95 121.20 125.74 3ehw s ILE 58 Ca 0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 3ehw s ILE 58 Cb -0.15 -3.34 0.16 0.00 0.01 0.00 0.00 42.46 39.14 3ehw s ILE 58 CO -0.07 -0.16 1.12 -2.84 0.00 0.00 0.00 174.94 172.99 3ehw s PRO 59 N 1.50 0.76 0.38 2.79 0.02 -1.26 -0.85 135.00 138.34 3ehw s PRO 59 Ca 0.01 1.38 -0.26 0.00 0.02 0.00 0.00 61.00 62.15 3ehw s PRO 59 Cb -0.19 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3ehw s PRO 59 CO 0.05 -2.75 1.19 -0.35 -0.33 0.00 0.00 177.00 174.81 3ehw n PRO 60 N -4.30 1.81 -2.31 5.54 -0.04 -1.26 -2.45 135.00 131.99 3ehw n PRO 60 Ca 0.10 0.64 -0.19 0.00 -0.04 0.00 0.00 63.50 64.01 3ehw n PRO 60 Cb 0.53 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.75 3ehw n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ehw n MET 61 N 0.32 -1.50 -4.53 0.54 2.81 0.92 -4.98 117.12 110.70 3ehw n MET 61 Ca 0.07 0.93 -0.25 0.00 -1.81 0.00 0.00 57.70 56.64 3ehw n MET 61 Cb 0.37 -5.47 -0.09 0.00 -0.71 0.00 0.00 33.22 27.31 3ehw n MET 61 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3ehw s GLU 62 N -4.87 1.84 0.13 0.03 0.41 -1.02 -4.97 118.70 110.25 3ehw s GLU 62 Ca 0.00 -2.08 0.05 0.00 -0.41 0.00 0.00 54.97 52.53 3ehw s GLU 62 Cb 0.00 -0.95 -0.04 0.00 -1.78 0.00 0.00 34.13 31.36 3ehw s GLU 62 CO 0.00 -0.29 -0.11 -1.59 -0.49 0.00 0.00 175.26 172.78 3ehw s LYS 63 N -3.82 1.02 0.01 1.61 -2.85 -1.26 -0.91 119.74 113.54 3ehw s LYS 63 Ca 0.28 -1.34 -0.06 0.00 -1.00 0.00 0.00 55.97 53.85 3ehw s LYS 63 Cb 0.06 -0.71 -0.00 0.00 -2.06 0.00 0.00 37.83 35.12 3ehw s LYS 63 CO 0.14 0.11 0.12 0.00 0.10 0.00 0.00 175.35 175.81 3ehw s ALA 64 N -2.81 -0.24 -0.44 0.59 0.00 -0.72 -4.96 121.76 113.17 3ehw s ALA 64 Ca 0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 3ehw s ALA 64 Cb -0.01 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3ehw s ALA 64 CO 0.01 -0.22 0.38 0.08 0.00 0.00 0.00 175.76 176.01 3ehw s VAL 65 N -1.60 5.20 -0.34 0.00 1.01 -1.26 -0.76 120.40 122.65 3ehw s VAL 65 Ca -0.13 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3ehw s VAL 65 Cb -0.07 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3ehw s VAL 65 CO 0.00 -0.47 0.75 -0.69 0.00 0.00 0.00 175.10 174.70 3ehw s VAL 66 N 1.81 4.79 0.12 2.92 1.01 0.10 -4.85 120.40 126.30 3ehw s VAL 66 Ca 0.06 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3ehw s VAL 66 Cb -0.21 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 3ehw s VAL 66 CO 0.09 -0.34 1.09 -0.54 0.00 0.00 0.00 175.10 175.41 3ehw s LYS 67 N 2.97 4.56 0.18 2.72 1.02 -1.26 -0.37 119.74 129.56 3ehw s LYS 67 Ca 0.30 1.66 0.22 0.00 0.02 0.00 0.00 55.97 58.17 3ehw s LYS 67 Cb -0.14 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3ehw s LYS 67 CO 0.15 -0.01 1.00 0.25 -0.92 0.00 0.00 175.35 175.82 3ehw n THR 68 N 3.03 0.61 -2.34 2.17 -2.24 -0.98 -1.12 114.28 113.42 3ehw n THR 68 Ca 0.05 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 3ehw n THR 68 Cb 0.47 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3ehw n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ehw n ASP 69 N -2.66 -5.62 -4.39 3.42 9.92 -1.26 -4.35 116.55 111.61 3ehw n ASP 69 Ca -0.01 0.05 -0.27 0.00 -0.53 0.00 0.00 54.79 54.03 3ehw n ASP 69 Cb 0.56 -4.71 -0.12 0.00 -0.64 0.00 0.00 41.12 36.21 3ehw n ASP 69 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3ehw s ILE 70 N -2.96 2.22 0.09 0.53 -4.36 -1.26 0.77 121.20 116.23 3ehw s ILE 70 Ca 0.00 -1.85 0.06 0.00 -0.26 0.00 0.00 60.65 58.61 3ehw s ILE 70 Cb 0.00 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 3ehw s ILE 70 CO 0.00 -0.02 -0.08 0.00 0.24 0.00 0.00 174.94 175.09 3ehw s GLN 71 N -2.30 2.25 0.08 0.37 -2.07 -0.19 -1.06 119.66 116.74 3ehw s GLN 71 Ca 0.16 -0.96 0.05 0.00 -1.82 0.00 0.00 55.36 52.79 3ehw s GLN 71 Cb -0.09 -2.37 -0.03 0.00 -1.09 0.00 0.00 33.01 29.43 3ehw s GLN 71 CO 0.07 0.52 -0.14 0.96 -1.32 0.00 0.00 175.29 175.38 3ehw s ILE 72 N -1.22 1.16 -0.32 3.63 -4.36 -1.26 -0.91 121.20 117.92 3ehw s ILE 72 Ca 0.22 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 59.22 3ehw s ILE 72 Cb -0.11 -1.19 0.09 0.00 1.25 0.00 0.00 42.46 42.50 3ehw s ILE 72 CO 0.14 -0.28 0.04 0.00 0.24 0.00 0.00 174.94 175.08 3ehw s ALA 73 N -1.51 2.52 0.38 2.27 0.00 0.94 -4.61 121.76 121.75 3ehw s ALA 73 Ca 0.01 -2.21 -0.27 0.00 0.00 0.00 0.00 51.96 49.49 3ehw s ALA 73 Cb -0.09 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 3ehw s ALA 73 CO 0.02 -1.61 1.26 -0.51 0.00 0.00 0.00 175.76 174.92 3ehw s LEU 74 N 1.10 4.29 0.50 0.00 1.43 -1.26 -2.38 118.68 122.36 3ehw s LEU 74 Ca 0.08 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 3ehw s LEU 74 Cb -0.19 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.12 3ehw s LEU 74 CO -0.11 -0.68 1.39 -2.16 0.23 0.00 0.00 176.35 175.02 3ehw s PRO 75 N -2.08 3.38 0.15 1.29 0.04 -1.25 -4.92 135.00 131.60 3ehw s PRO 75 Ca 0.54 2.33 -0.34 0.00 0.04 0.00 0.00 61.00 63.56 3ehw s PRO 75 Cb -0.36 -2.44 -0.15 0.00 0.04 0.00 0.00 34.50 31.59 3ehw s PRO 75 CO 0.47 -1.03 1.44 0.45 0.04 0.00 0.00 177.00 178.37 3ehw n SER 76 N -0.66 2.41 0.00 6.66 2.88 -1.26 -2.83 113.62 120.82 3ehw n SER 76 Ca 0.08 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3ehw n SER 76 Cb 0.43 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3ehw n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ehw n GLY 77 N 2.82 0.65 3.19 0.46 0.00 -1.26 -5.08 105.19 105.98 3ehw n GLY 77 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3ehw n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ehw s TYR 79 N -3.97 2.48 -0.37 0.00 1.13 -0.60 -4.51 117.35 111.51 3ehw s TYR 79 Ca 0.15 -0.67 -0.13 0.00 -1.41 0.00 0.00 57.07 55.01 3ehw s TYR 79 Cb 0.06 -1.83 0.01 0.00 -1.10 0.00 0.00 41.96 39.09 3ehw s TYR 79 CO -0.04 0.32 0.25 0.20 -2.51 0.00 0.00 175.55 173.77 3ehw s GLY 80 N -3.81 1.97 -0.20 5.49 0.00 -0.14 -1.57 107.32 109.07 3ehw s GLY 80 Ca 0.35 -1.57 -0.20 0.00 0.00 0.00 0.00 44.72 43.30 3ehw s GLY 80 CO 0.18 0.83 0.61 -1.60 0.00 0.00 0.00 173.10 173.13 3ehw s ARG 81 N 1.67 4.21 -0.23 2.90 3.52 0.28 -0.09 118.95 131.21 3ehw s ARG 81 Ca 0.05 0.58 -0.28 0.00 -0.13 0.00 0.00 55.73 55.95 3ehw s ARG 81 Cb -0.18 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3ehw s ARG 81 CO 0.09 -0.22 0.97 0.08 -0.81 0.00 0.00 175.30 175.42 3ehw s VAL 82 N 1.84 4.73 0.12 7.11 1.01 0.11 -0.68 120.40 134.65 3ehw s VAL 82 Ca 0.28 1.88 0.10 0.00 0.00 0.00 0.00 61.98 64.24 3ehw s VAL 82 Cb -0.16 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3ehw s VAL 82 CO 0.10 -0.15 -0.23 0.00 0.00 0.00 0.00 175.10 174.82 3ehw s ALA 83 N 3.08 2.10 0.45 5.51 0.00 0.25 -4.64 121.76 128.50 3ehw s ALA 83 Ca 0.41 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 3ehw s ALA 83 Cb -0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 3ehw s ALA 83 CO 0.06 0.43 1.11 -1.25 0.00 0.00 0.00 175.76 176.11 3ehw s PRO 84 N -2.08 3.88 0.34 0.00 0.04 -1.26 -1.23 135.00 134.69 3ehw s PRO 84 Ca 0.11 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 3ehw s PRO 84 Cb -0.10 -2.39 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 3ehw s PRO 84 CO 0.05 -0.42 0.96 1.03 0.04 0.00 0.00 177.00 178.67 3ehw s ARG 85 N -2.72 4.51 0.13 4.56 0.52 -1.26 -4.80 118.95 119.89 3ehw s ARG 85 Ca 0.63 1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 57.17 3ehw s ARG 85 Cb -0.25 -2.73 -0.10 0.00 0.52 0.00 0.00 34.95 32.39 3ehw s ARG 85 CO 0.30 0.21 1.30 0.66 0.02 0.00 0.00 175.30 177.79 3ehw h SER 86 N 3.02 0.37 0.18 0.23 4.64 -1.96 -2.55 113.55 117.48 3ehw h SER 86 Ca -0.47 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.52 3ehw h SER 86 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3ehw h SER 86 CO 0.64 1.15 -0.09 1.23 -0.87 0.00 0.00 176.83 178.90 3ehw h GLY 87 N 1.63 -0.26 0.87 -0.77 0.00 -1.98 0.58 103.07 103.14 3ehw h GLY 87 Ca -0.07 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3ehw h GLY 87 CO 0.16 -0.09 0.62 1.41 0.00 0.00 0.00 176.54 178.63 3ehw h LEU 88 N -0.35 0.99 -0.11 3.11 3.38 -1.92 0.51 115.31 120.93 3ehw h LEU 88 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ehw h LEU 88 Cb 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ehw h LEU 88 CO 0.04 0.66 -0.02 0.00 0.09 0.00 0.00 178.44 179.21 3ehw h ALA 89 N 1.47 0.15 0.04 1.53 0.00 -1.21 -0.36 119.26 120.88 3ehw h ALA 89 Ca 0.39 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 3ehw h ALA 89 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ehw h ALA 89 CO -0.14 -0.13 -1.02 0.00 0.00 0.00 0.00 179.25 177.97 3ehw h ALA 90 N 0.70 0.34 0.16 0.00 0.00 -0.60 -0.72 119.26 119.15 3ehw h ALA 90 Ca 0.03 -0.79 -0.35 0.00 0.00 0.00 0.00 54.91 53.79 3ehw h ALA 90 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ehw h ALA 90 CO 0.01 0.96 -1.80 0.87 0.00 0.00 0.00 179.25 179.29 3ehw h LYS 91 N 0.10 0.34 0.00 0.00 1.57 -1.00 -3.42 116.57 114.17 3ehw h LYS 91 Ca -0.07 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3ehw h LYS 91 Cb 1.70 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.22 3ehw h LYS 91 CO 0.16 1.25 0.00 0.72 -0.57 0.00 0.00 179.45 181.01 3ehw n HIS 92 N -3.53 0.00 -3.05 -1.35 8.25 -0.19 -5.00 115.22 110.34 3ehw n HIS 92 Ca -0.26 -0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 56.77 3ehw n HIS 92 Cb 1.07 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 32.19 3ehw n HIS 92 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ehw n PHE 93 N -0.22 -1.98 -3.15 4.41 -0.00 -0.27 -4.14 117.46 112.10 3ehw n PHE 93 Ca 0.00 0.56 -0.39 0.00 -0.00 0.00 0.00 57.45 57.62 3ehw n PHE 93 Cb 0.21 -4.40 -0.06 0.00 -0.00 0.00 0.00 39.48 35.23 3ehw n PHE 93 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3ehw s ILE 94 N -3.17 4.80 0.20 -2.13 -1.09 -0.95 -1.84 121.20 117.02 3ehw s ILE 94 Ca 0.32 1.36 0.02 0.00 -2.23 0.00 0.00 60.65 60.12 3ehw s ILE 94 Cb -0.14 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3ehw s ILE 94 CO 0.40 0.43 0.04 -0.62 -1.23 0.00 0.00 174.94 173.96 3ehw s ASP 95 N -0.37 1.20 -0.17 3.58 3.68 0.15 -3.69 116.67 121.05 3ehw s ASP 95 Ca 0.33 -1.25 0.00 0.00 2.13 0.00 0.00 52.55 53.76 3ehw s ASP 95 Cb -0.19 0.14 0.00 0.00 -1.45 0.00 0.00 42.92 41.42 3ehw s ASP 95 CO 0.19 -0.63 -0.16 -0.69 0.13 0.00 0.00 175.17 174.02 3ehw s VAL 96 N -3.69 2.52 0.73 1.11 1.01 -1.26 0.38 120.40 121.20 3ehw s VAL 96 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ehw s VAL 96 Cb 0.07 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.52 3ehw s VAL 96 CO 0.07 0.51 1.01 -0.83 0.00 0.00 0.00 175.10 175.87 3ehw s GLY 97 N 1.01 1.74 0.00 4.51 0.00 0.13 -4.87 107.32 109.85 3ehw s GLY 97 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3ehw s GLY 97 CO -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 173.10 171.79 3ehw n ALA 98 N -2.85 0.00 0.00 3.20 0.00 -1.26 -4.36 120.51 115.24 3ehw n ALA 98 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3ehw n ALA 98 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3ehw n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ehw n GLY 99 N 0.00 0.55 3.37 0.00 0.00 -1.26 -4.93 105.19 102.91 3ehw n GLY 99 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3ehw n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ehw s VAL 100 N -2.00 5.18 -0.30 1.61 1.01 -1.26 0.06 120.40 124.69 3ehw s VAL 100 Ca 0.00 -1.85 -0.23 0.00 0.00 0.00 0.00 61.98 59.90 3ehw s VAL 100 Cb 0.00 -4.55 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 3ehw s VAL 100 CO 0.00 -1.16 0.77 -0.63 0.00 0.00 0.00 175.10 174.08 3ehw s ILE 101 N 1.47 4.81 0.44 2.22 -1.09 0.87 -4.98 121.20 124.94 3ehw s ILE 101 Ca 0.19 1.16 -0.19 0.00 -2.23 0.00 0.00 60.65 59.58 3ehw s ILE 101 Cb -0.13 -4.13 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 3ehw s ILE 101 CO -0.05 -0.24 0.94 -1.81 -1.23 0.00 0.00 174.94 172.55 3ehw s ASP 102 N 1.62 6.83 0.56 3.58 1.11 -1.26 -0.97 116.67 128.13 3ehw s ASP 102 Ca 0.32 1.61 0.24 0.00 0.18 0.00 0.00 52.55 54.90 3ehw s ASP 102 Cb -0.14 -2.51 1.51 0.00 1.07 0.00 0.00 42.92 42.84 3ehw s ASP 102 CO 0.12 -0.41 2.12 -0.08 1.18 0.00 0.00 175.17 178.10 3ehw h GLU 103 N 1.65 0.00 -0.29 8.23 4.81 -1.93 -0.99 114.58 126.05 3ehw h GLU 103 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3ehw h GLU 103 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ehw h GLU 103 CO 0.62 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.50 3ehw n ASP 104 N -4.16 2.32 -4.71 1.04 5.68 -1.26 -4.50 116.55 110.96 3ehw n ASP 104 Ca 0.01 -1.85 -0.42 0.00 -0.50 0.00 0.00 54.79 52.03 3ehw n ASP 104 Cb 0.27 -0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 3ehw n ASP 104 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3ehw s TYR 105 N -1.63 3.57 -0.00 2.11 5.04 -0.38 -4.91 117.35 121.14 3ehw s TYR 105 Ca 0.34 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.54 3ehw s TYR 105 Cb 0.18 -3.21 0.01 0.00 0.35 0.00 0.00 41.96 39.29 3ehw s TYR 105 CO 0.26 -0.40 0.94 0.54 -1.34 0.00 0.00 175.55 175.56 3ehw n ARG 106 N 4.11 2.56 -1.40 4.97 5.12 -1.26 -4.52 116.66 126.24 3ehw n ARG 106 Ca 0.07 -1.41 -0.15 0.00 -1.93 0.00 0.00 57.85 54.43 3ehw n ARG 106 Cb 0.49 -0.95 0.09 0.00 -1.16 0.00 0.00 32.46 30.93 3ehw n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ehw n GLY 107 N -0.47 -0.30 3.70 -0.13 0.00 -1.26 -4.82 105.19 101.91 3ehw n GLY 107 Ca 0.01 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3ehw n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ehw s ASN 108 N -3.50 6.74 -0.23 1.61 3.84 -1.26 -4.25 114.94 117.88 3ehw s ASN 108 Ca 0.40 2.36 -0.29 0.00 0.21 0.00 0.00 52.86 55.53 3ehw s ASN 108 Cb -0.02 -2.57 -0.00 0.00 -0.55 0.00 0.00 41.25 38.11 3ehw s ASN 108 CO 0.27 -0.76 1.23 -0.69 -2.79 0.00 0.00 177.10 174.37 3ehw s VAL 109 N 1.83 4.30 -0.14 -5.21 1.01 -0.22 -4.97 120.40 117.00 3ehw s VAL 109 Ca 0.68 1.53 -0.05 0.00 0.00 0.00 0.00 61.98 64.14 3ehw s VAL 109 Cb -0.37 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3ehw s VAL 109 CO 0.30 -0.29 0.04 -0.83 0.00 0.00 0.00 175.10 174.31 3ehw s GLY 110 N 2.14 1.89 -0.30 4.51 0.00 -1.26 -2.31 107.32 111.99 3ehw s GLY 110 Ca 0.53 -0.76 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 3ehw s GLY 110 CO 0.17 -0.21 0.25 0.14 0.00 0.00 0.00 173.10 173.44 3ehw s VAL 111 N -0.19 5.27 -0.65 1.40 1.01 0.50 -4.90 120.40 122.84 3ehw s VAL 111 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 3ehw s VAL 111 Cb -0.12 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3ehw s VAL 111 CO 0.02 0.15 0.91 -0.69 0.00 0.00 0.00 175.10 175.49 3ehw s VAL 112 N 1.82 4.44 -0.06 2.92 1.01 -1.26 0.02 120.40 129.30 3ehw s VAL 112 Ca 0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 3ehw s VAL 112 Cb -0.16 -4.65 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 3ehw s VAL 112 CO 0.11 -1.39 0.53 -0.76 0.00 0.00 0.00 175.10 173.59 3ehw s LEU 113 N 3.73 4.36 -0.21 3.92 1.43 0.06 0.19 118.68 132.16 3ehw s LEU 113 Ca 0.20 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 3ehw s LEU 113 Cb -0.18 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3ehw s LEU 113 CO 0.09 0.07 0.00 -0.36 0.23 0.00 0.00 176.35 176.37 3ehw s PHE 114 N 0.14 3.03 -0.58 0.29 2.99 0.16 -1.76 117.98 122.24 3ehw s PHE 114 Ca 0.29 -0.53 -0.13 0.00 0.00 0.00 0.00 56.93 56.55 3ehw s PHE 114 Cb -0.17 -2.11 0.15 0.00 0.00 0.00 0.00 43.02 40.89 3ehw s PHE 114 CO 0.14 -0.31 0.51 1.21 -0.00 0.00 0.00 175.22 176.77 3ehw s ASN 115 N 1.15 6.12 0.00 1.36 2.47 -0.09 -0.67 114.94 125.28 3ehw s ASN 115 Ca 0.03 -2.06 0.24 0.00 0.42 0.00 0.00 52.86 51.49 3ehw s ASN 115 Cb -0.14 -2.14 0.67 0.00 -1.45 0.00 0.00 41.25 38.19 3ehw s ASN 115 CO 0.01 -0.73 1.52 0.49 -3.72 0.00 0.00 177.10 174.67 3ehw n PHE 116 N 4.81 0.14 -1.55 0.43 3.72 -0.77 -0.06 117.46 124.19 3ehw n PHE 116 Ca -0.06 -0.07 -0.30 0.00 -0.05 0.00 0.00 57.45 56.98 3ehw n PHE 116 Cb 0.41 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.15 3ehw n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ehw s GLY 117 N -1.80 1.67 0.38 1.37 0.00 -1.25 -4.68 107.32 103.01 3ehw s GLY 117 Ca 0.34 -0.98 0.24 0.00 0.00 0.00 0.00 44.72 44.32 3ehw s GLY 117 CO 0.30 -0.21 1.65 0.50 0.00 0.00 0.00 173.10 175.35 3ehw h LYS 118 N -1.96 0.00 -6.38 2.90 1.57 -1.92 -3.28 116.57 107.49 3ehw h LYS 118 Ca -0.46 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 3ehw h LYS 118 Cb 1.28 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.46 3ehw h LYS 118 CO 0.41 0.00 -0.69 -1.21 -0.57 0.00 0.00 179.45 177.39 3ehw s GLU 119 N -3.18 2.24 0.66 3.15 0.41 -1.26 -4.76 118.70 115.96 3ehw s GLU 119 Ca 0.08 -1.19 -0.16 0.00 -0.41 0.00 0.00 54.97 53.29 3ehw s GLU 119 Cb 0.07 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 3ehw s GLU 119 CO 0.65 0.44 1.16 -1.59 -0.49 0.00 0.00 175.26 175.43 3ehw s LYS 120 N -2.90 2.67 -0.13 1.61 -2.85 -1.26 -4.05 119.74 112.83 3ehw s LYS 120 Ca 0.26 1.59 0.02 0.00 -1.00 0.00 0.00 55.97 56.84 3ehw s LYS 120 Cb -0.09 -1.92 0.01 0.00 -2.06 0.00 0.00 37.83 33.78 3ehw s LYS 120 CO 0.17 -1.39 -0.18 0.12 0.10 0.00 0.00 175.35 174.17 3ehw s PHE 121 N -2.07 2.35 -0.18 1.78 2.19 -0.03 -4.95 117.98 117.09 3ehw s PHE 121 Ca 0.71 -1.19 -0.13 0.00 0.33 0.00 0.00 56.93 56.66 3ehw s PHE 121 Cb -0.25 -1.65 -0.05 0.00 -1.31 0.00 0.00 43.02 39.77 3ehw s PHE 121 CO 0.40 -0.58 0.26 -1.21 1.83 0.00 0.00 175.22 175.93 3ehw s GLU 122 N 0.97 4.23 -0.18 10.12 0.41 -1.26 0.21 118.70 133.19 3ehw s GLU 122 Ca -0.05 0.02 -0.06 0.00 -0.41 0.00 0.00 54.97 54.47 3ehw s GLU 122 Cb -0.15 -3.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.72 3ehw s GLU 122 CO -0.03 0.21 0.02 0.08 -0.49 0.00 0.00 175.26 175.04 3ehw s VAL 123 N 0.59 4.29 0.06 2.63 1.01 0.18 -4.98 120.40 124.17 3ehw s VAL 123 Ca 0.14 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.97 3ehw s VAL 123 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3ehw s VAL 123 CO 0.03 0.46 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 3ehw s LYS 124 N 0.56 2.39 0.03 2.72 -0.14 -1.26 -0.39 119.74 123.64 3ehw s LYS 124 Ca 0.00 -0.85 -0.37 0.00 -1.36 0.00 0.00 55.97 53.39 3ehw s LYS 124 Cb -0.14 -2.43 -0.17 0.00 -1.68 0.00 0.00 37.83 33.42 3ehw s LYS 124 CO 0.02 0.56 1.41 1.17 -0.76 0.00 0.00 175.35 177.75 3ehw n LYS 125 N 1.08 1.16 -0.09 1.68 4.81 -1.15 -1.10 118.16 124.55 3ehw n LYS 125 Ca -0.14 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3ehw n LYS 125 Cb 0.52 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3ehw n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ehw n GLY 126 N 2.81 0.56 3.73 3.14 0.00 0.36 -4.97 105.19 110.82 3ehw n GLY 126 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3ehw n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ehw s ASP 127 N -2.69 7.18 -0.50 1.61 1.01 -0.26 -4.75 116.67 118.27 3ehw s ASP 127 Ca 0.00 2.12 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 3ehw s ASP 127 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3ehw s ASP 127 CO 0.00 -0.31 1.14 -0.13 0.21 0.00 0.00 175.17 176.08 3ehw s ARG 128 N -0.09 3.68 0.00 8.23 0.52 -1.26 -0.92 118.95 129.11 3ehw s ARG 128 Ca 0.52 0.50 0.05 0.00 -0.52 0.00 0.00 55.73 56.27 3ehw s ARG 128 Cb -0.30 -3.93 0.04 0.00 0.52 0.00 0.00 34.95 31.27 3ehw s ARG 128 CO 0.35 -1.44 0.64 0.44 0.02 0.00 0.00 175.30 175.31 3ehw n ILE 129 N 6.82 0.00 -3.90 1.52 -6.64 -0.65 -4.97 119.36 111.54 3ehw n ILE 129 Ca 0.11 -0.50 -0.02 0.00 -1.77 0.00 0.00 62.75 60.57 3ehw n ILE 129 Cb 0.49 1.10 0.02 0.00 -1.44 0.00 0.00 39.64 39.80 3ehw n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ehw s ALA 130 N -0.41 -1.74 0.04 -1.28 0.00 -1.24 -4.62 121.76 112.51 3ehw s ALA 130 Ca 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3ehw s ALA 130 Cb 0.04 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3ehw s ALA 130 CO 0.06 -1.08 -0.05 1.14 0.00 0.00 0.00 175.76 175.83 3ehw s GLN 131 N -2.14 0.45 -0.24 0.00 -2.07 -0.37 0.37 119.66 115.65 3ehw s GLN 131 Ca 0.23 -0.78 -0.04 0.00 -1.82 0.00 0.00 55.36 52.95 3ehw s GLN 131 Cb -0.02 -0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 3ehw s GLN 131 CO 0.04 -0.02 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.80 3ehw s LEU 132 N -1.78 3.19 -0.16 2.60 2.96 0.32 -0.59 118.68 125.23 3ehw s LEU 132 Ca -0.10 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3ehw s LEU 132 Cb -0.07 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3ehw s LEU 132 CO -0.02 -0.08 0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 3ehw s ILE 133 N 1.45 4.39 -1.17 6.68 1.01 0.15 -1.12 121.20 132.59 3ehw s ILE 133 Ca 0.04 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 3ehw s ILE 133 Cb -0.15 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.47 3ehw s ILE 133 CO -0.02 0.49 1.52 0.00 0.00 0.00 0.00 174.94 176.93 3ehw s GLU 135 N 3.46 4.24 0.09 0.00 0.41 -0.61 -4.88 118.70 121.42 3ehw s GLU 135 Ca 0.47 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 56.33 3ehw s GLU 135 Cb 0.00 -3.74 -0.06 0.00 -1.78 0.00 0.00 34.13 28.55 3ehw s GLU 135 CO -0.00 -0.70 1.08 1.03 -0.49 0.00 0.00 175.26 176.18 3ehw s ARG 136 N 3.45 4.56 0.08 1.61 0.52 -1.26 -1.55 118.95 126.36 3ehw s ARG 136 Ca 0.53 1.62 -0.01 0.00 -0.52 0.00 0.00 55.73 57.35 3ehw s ARG 136 Cb -0.20 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3ehw s ARG 136 CO 0.13 -0.02 0.00 0.96 0.02 0.00 0.00 175.30 176.39 3ehw s ILE 137 N 0.43 0.18 0.25 1.52 -4.36 -0.31 -4.96 121.20 113.95 3ehw s ILE 137 Ca 0.52 -1.84 -0.02 0.00 -0.26 0.00 0.00 60.65 59.05 3ehw s ILE 137 Cb -0.26 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 3ehw s ILE 137 CO 0.31 -0.81 0.46 -0.36 0.24 0.00 0.00 174.94 174.78 3ehw s PHE 138 N -3.96 3.48 -0.81 1.37 2.99 -1.26 -4.63 117.98 115.15 3ehw s PHE 138 Ca 0.13 0.45 0.02 0.00 0.00 0.00 0.00 56.93 57.52 3ehw s PHE 138 Cb 0.08 -1.94 0.23 0.00 0.00 0.00 0.00 43.02 41.39 3ehw s PHE 138 CO -0.06 0.28 0.81 0.66 -0.00 0.00 0.00 175.22 176.92 3ehw n TYR 139 N -0.88 3.61 -2.31 0.36 4.01 -1.26 -5.09 117.16 115.60 3ehw n TYR 139 Ca -0.04 -3.97 -0.34 0.00 -0.16 0.00 0.00 57.90 53.39 3ehw n TYR 139 Cb 0.54 -0.88 -0.01 0.00 -0.31 0.00 0.00 39.34 38.68 3ehw n TYR 139 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3ehw s PRO 140 N -1.92 3.49 0.34 -0.72 0.04 -1.26 -5.01 135.00 129.96 3ehw s PRO 140 Ca 0.31 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 3ehw s PRO 140 Cb 0.02 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3ehw s PRO 140 CO -0.07 -0.71 1.13 -1.21 0.04 0.00 0.00 177.00 176.18 3ehw s GLU 141 N -3.40 4.34 -0.13 4.56 0.41 -1.26 -5.03 118.70 118.19 3ehw s GLU 141 Ca 0.69 1.79 -0.14 0.00 -0.41 0.00 0.00 54.97 56.90 3ehw s GLU 141 Cb -0.20 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.21 3ehw s GLU 141 CO 0.26 -0.05 0.33 -1.50 -0.49 0.00 0.00 175.26 173.81 3ehw s ILE 142 N -1.34 5.26 -0.09 -1.63 2.07 -1.26 -5.07 121.20 119.15 3ehw s ILE 142 Ca 0.51 0.63 0.00 0.00 -1.41 0.00 0.00 60.65 60.39 3ehw s ILE 142 Cb -0.30 -3.66 0.02 0.00 0.13 0.00 0.00 42.46 38.65 3ehw s ILE 142 CO 0.39 0.41 -0.08 -0.70 -1.91 0.00 0.00 174.94 173.04 3ehw s GLU 143 N 0.23 1.50 0.02 3.50 -6.30 -1.26 -5.12 118.70 111.26 3ehw s GLU 143 Ca 0.19 -0.28 -0.27 0.00 -2.50 0.00 0.00 54.97 52.11 3ehw s GLU 143 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 34.13 32.49 3ehw s GLU 143 CO 0.06 -0.17 0.84 -2.00 0.02 0.00 0.00 175.26 174.01 3ehw s GLU 144 N 1.37 4.53 0.34 4.30 2.12 -1.26 -5.06 118.70 125.03 3ehw s GLU 144 Ca -0.02 1.18 0.09 0.00 0.36 0.00 0.00 54.97 56.58 3ehw s GLU 144 Cb -0.14 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 3ehw s GLU 144 CO -0.04 0.13 -0.08 0.14 -0.54 0.00 0.00 175.26 174.87 3ehw s VAL 145 N 0.43 2.12 0.19 3.70 -7.23 -1.26 -5.05 120.40 113.30 3ehw s VAL 145 Ca 0.43 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3ehw s VAL 145 Cb -0.20 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3ehw s VAL 145 CO 0.24 -0.20 1.53 -0.61 -0.31 0.00 0.00 175.10 175.75 3ehw h GLN 146 N 2.05 0.62 -2.05 4.82 5.75 -2.09 -3.46 115.11 120.75 3ehw h GLN 146 Ca -0.42 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 57.68 3ehw h GLN 146 Cb 1.25 0.02 -0.20 0.00 1.07 0.00 0.00 27.48 29.62 3ehw h GLN 146 CO 0.70 0.96 0.13 0.00 -2.65 0.00 0.00 178.83 177.97 3ehw s ALA 147 N -4.15 -1.72 0.51 3.38 0.00 -1.26 -5.17 121.76 113.35 3ehw s ALA 147 Ca -0.08 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 3ehw s ALA 147 Cb 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3ehw s ALA 147 CO 0.84 -0.34 0.87 -0.51 0.00 0.00 0.00 175.76 176.62 3ehw s LEU 148 N -0.27 3.55 0.62 0.00 1.43 -1.26 -5.06 118.68 117.69 3ehw s LEU 148 Ca -0.05 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 3ehw s LEU 148 Cb -0.03 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3ehw s LEU 148 CO 0.05 -0.63 0.86 -0.90 0.23 0.00 0.00 176.35 175.95 3ehw n ASP 149 N -2.16 0.29 -4.87 2.29 5.75 -1.26 -5.01 116.55 111.58 3ehw n ASP 149 Ca 0.03 0.76 -0.30 0.00 -0.01 0.00 0.00 54.79 55.27 3ehw n ASP 149 Cb 0.54 -1.34 -0.04 0.00 -1.03 0.00 0.00 41.12 39.26 3ehw n ASP 149 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3ehw s ASP 150 N -1.29 6.55 0.35 -1.12 1.01 -1.26 -5.10 116.67 115.81 3ehw s ASP 150 Ca 0.75 1.10 0.04 0.00 0.71 0.00 0.00 52.55 55.14 3ehw s ASP 150 Cb -0.41 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 3ehw s ASP 150 CO 0.48 -0.34 0.06 0.42 0.21 0.00 0.00 175.17 176.01 3ehw s THR 151 N -2.27 1.20 0.05 -1.27 -4.23 -1.26 -5.02 115.64 102.84 3ehw s THR 151 Ca 0.51 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.76 3ehw s THR 151 Cb -0.10 -2.75 -0.17 0.00 1.34 0.00 0.00 72.50 70.82 3ehw s THR 151 CO 0.29 0.00 1.53 -0.08 -0.54 0.00 0.00 174.62 175.82 3ehw h GLU 152 N 2.02 -0.25 -0.87 3.99 4.22 -2.05 -2.81 114.58 118.83 3ehw h GLU 152 Ca -0.41 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.14 3ehw h GLU 152 Cb 1.25 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 3ehw h GLU 152 CO 0.70 -0.04 0.52 -0.09 -2.18 0.00 0.00 179.01 177.91 3ehw h ARG 153 N -0.42 0.86 0.00 1.92 2.43 -1.97 -3.47 114.38 113.73 3ehw h ARG 153 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ehw h ARG 153 Cb 0.32 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ehw h ARG 153 CO 0.04 0.57 0.00 0.41 -1.51 0.00 0.00 179.97 179.48 3ehw n GLY 154 N -1.33 3.86 0.99 2.80 0.00 -1.06 -1.52 105.19 108.94 3ehw n GLY 154 Ca 0.14 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3ehw n GLY 154 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ehw n SER 155 N 6.26 2.88 -4.70 1.61 7.64 -1.26 -4.92 113.62 121.13 3ehw n SER 155 Ca 0.00 -2.09 -0.42 0.00 1.01 0.00 0.00 58.87 57.37 3ehw n SER 155 Cb 0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 3ehw n SER 155 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ehw s GLY 156 N -0.94 1.32 0.21 0.23 0.00 -0.57 -4.95 107.32 102.62 3ehw s GLY 156 Ca 0.34 1.48 -0.13 0.00 0.00 0.00 0.00 44.72 46.41 3ehw s GLY 156 CO 0.21 3.06 0.63 0.61 0.00 0.00 0.00 173.10 177.61 3ehw n GLY 157 N 4.15 1.06 3.95 0.20 0.00 -1.26 -4.94 105.19 108.35 3ehw n GLY 157 Ca 0.17 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 3ehw n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ehw n PHE 158 N -0.44 -1.70 -0.16 1.61 3.72 -1.26 -1.74 117.46 117.49 3ehw n PHE 158 Ca -0.04 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 3ehw n PHE 158 Cb 0.41 -3.76 0.00 0.00 -0.94 0.00 0.00 39.48 35.19 3ehw n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ehw n GLY 159 N -1.90 0.74 0.39 1.37 0.00 -1.26 -4.98 105.19 99.55 3ehw n GLY 159 Ca -0.28 0.00 0.20 0.00 0.00 0.00 0.00 46.02 45.95 3ehw n GLY 159 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ehw h SER 160 N 0.00 0.00 -0.01 1.61 4.64 -1.70 -0.20 113.55 117.89 3ehw h SER 160 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ehw h SER 160 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ehw h SER 160 CO 0.00 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.29 3ehw n THR 161 N -3.78 0.00 -0.43 2.95 -2.24 -1.26 -5.00 114.28 104.53 3ehw n THR 161 Ca 0.07 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3ehw n THR 161 Cb 0.61 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3ehw n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehw n GLY 162 N 1.25 -2.95 0.09 3.38 0.00 -0.09 -4.81 105.19 102.06 3ehw n GLY 162 Ca 0.17 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3ehw n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ehw n LYS 163 N -0.13 0.67 0.00 1.61 4.76 -1.26 -4.95 118.16 118.86 3ehw n LYS 163 Ca 0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3ehw n LYS 163 Cb 0.00 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3ehw n LYS 163 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30