#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmm s VAL 3 N 0.00 5.22 -0.20 0.00 -7.23 -1.26 -4.83 120.40 112.10 2nmm s VAL 3 Ca 0.00 0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 60.71 2nmm s VAL 3 Cb 0.00 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 2nmm s VAL 3 CO 0.00 0.27 0.21 0.00 -0.31 0.00 0.00 175.10 175.28 2nmm s ALA 4 N 1.19 3.63 -0.39 1.32 0.00 -1.26 -5.06 121.76 121.19 2nmm s ALA 4 Ca 0.18 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2nmm s ALA 4 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.67 2nmm s ALA 4 CO 0.07 0.01 0.31 0.34 0.00 0.00 0.00 175.76 176.50 2nmm s ASP 5 N 0.63 6.12 0.36 0.00 -1.08 -1.26 -4.82 116.67 116.61 2nmm s ASP 5 Ca 0.11 -0.71 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 2nmm s ASP 5 Cb -0.13 -2.17 0.68 0.00 -1.46 0.00 0.00 42.92 39.85 2nmm s ASP 5 CO 0.02 -0.42 1.78 -0.07 0.52 0.00 0.00 175.17 177.00 2nmm h LEU 6 N 8.68 0.00 -0.54 -1.34 4.07 -1.97 -2.83 115.31 121.39 2nmm h LEU 6 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2nmm h LEU 6 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 2nmm h LEU 6 CO 0.72 0.41 0.00 0.00 -1.08 0.00 0.00 178.44 178.49 2nmm n ALA 7 N -2.41 1.21 0.04 1.53 0.00 -1.26 -1.48 120.51 118.15 2nmm n ALA 7 Ca -0.01 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.57 2nmm n ALA 7 Cb 0.46 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 2nmm n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nmm n LEU 8 N -1.83 0.54 -4.60 0.00 4.77 -1.07 -4.82 117.00 109.99 2nmm n LEU 8 Ca 0.00 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 2nmm n LEU 8 Cb 0.07 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2nmm n LEU 8 CO 0.08 -0.03 0.62 -0.63 -1.33 0.00 0.00 177.39 176.10 2nmm s ILE 9 N -3.28 4.74 0.40 -0.08 1.09 -0.55 -5.02 121.20 118.50 2nmm s ILE 9 Ca -0.04 1.09 -0.27 0.00 -1.10 0.00 0.00 60.65 60.33 2nmm s ILE 9 Cb 0.11 -4.20 -0.10 0.00 -1.06 0.00 0.00 42.46 37.20 2nmm s ILE 9 CO 0.83 -0.36 1.47 -2.16 -0.10 0.00 0.00 174.94 174.62 2nmm s PRO 10 N 3.10 3.98 0.13 2.79 0.04 -1.26 -4.91 135.00 138.87 2nmm s PRO 10 Ca 0.33 2.53 -0.14 0.00 0.04 0.00 0.00 61.00 63.76 2nmm s PRO 10 Cb -0.13 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 2nmm s PRO 10 CO 0.15 -0.62 1.56 -0.44 0.04 0.00 0.00 177.00 177.69 2nmm h ASP 11 N 2.80 0.75 -3.32 6.66 5.19 -1.92 -3.43 116.42 123.15 2nmm h ASP 11 Ca -0.51 -0.33 -0.64 0.00 -0.62 0.00 0.00 57.03 54.93 2nmm h ASP 11 Cb 1.25 -0.20 -0.33 0.00 0.18 0.00 0.00 39.33 40.22 2nmm h ASP 11 CO 0.63 0.89 -0.86 -0.69 -3.12 0.00 0.00 179.24 176.09 2nmm s VAL 12 N -4.94 1.86 -0.30 -1.35 1.01 -1.26 0.14 120.40 115.56 2nmm s VAL 12 Ca -0.13 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2nmm s VAL 12 Cb 0.10 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.96 2nmm s VAL 12 CO 0.81 0.51 0.12 -0.62 0.00 0.00 0.00 175.10 175.92 2nmm s ASP 13 N 0.54 3.69 0.02 3.32 -1.08 -0.72 -4.98 116.67 117.45 2nmm s ASP 13 Ca -0.15 -1.43 0.02 0.00 -0.52 0.00 0.00 52.55 50.47 2nmm s ASP 13 Cb -0.17 -0.52 -0.02 0.00 -1.46 0.00 0.00 42.92 40.76 2nmm s ASP 13 CO 0.05 -0.43 -0.07 -0.51 0.52 0.00 0.00 175.17 174.74 2nmm s ILE 14 N 1.92 0.50 1.16 4.11 1.10 -1.26 -2.87 121.20 125.86 2nmm s ILE 14 Ca 0.09 -0.72 -0.14 0.00 -0.51 0.00 0.00 60.65 59.38 2nmm s ILE 14 Cb -0.17 -0.51 0.28 0.00 0.15 0.00 0.00 42.46 42.21 2nmm s ILE 14 CO -0.32 -0.16 1.03 -1.81 -2.11 0.00 0.00 174.94 171.56 2nmm s ASP 15 N -0.96 1.06 -0.10 4.50 1.11 -1.09 -5.01 116.67 116.17 2nmm s ASP 15 Ca -0.05 1.33 0.15 0.00 0.18 0.00 0.00 52.55 54.17 2nmm s ASP 15 Cb -0.07 -2.06 0.23 0.00 1.07 0.00 0.00 42.92 42.09 2nmm s ASP 15 CO 0.00 -4.13 1.11 -1.54 1.18 0.00 0.00 175.17 171.80 2nmm n SER 16 N -4.85 1.97 0.00 0.27 3.41 -1.26 -4.93 113.62 108.23 2nmm n SER 16 Ca 0.04 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 2nmm n SER 16 Cb 0.56 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2nmm n SER 16 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2nmm n ASP 17 N -1.17 0.58 0.00 4.04 2.03 -1.26 -4.13 116.55 116.64 2nmm n ASP 17 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2nmm n ASP 17 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2nmm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nmm n GLY 18 N 2.47 5.43 3.72 0.27 0.00 -1.20 -4.39 105.19 111.48 2nmm n GLY 18 Ca 0.00 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 2nmm n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nmm s VAL 19 N 2.44 5.21 0.05 1.61 1.01 -1.26 -1.91 120.40 127.55 2nmm s VAL 19 Ca 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 2nmm s VAL 19 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2nmm s VAL 19 CO 0.00 0.34 0.26 0.72 0.00 0.00 0.00 175.10 176.42 2nmm s PHE 20 N 0.59 -0.03 0.36 5.22 -0.12 -0.89 -4.87 117.98 118.24 2nmm s PHE 20 Ca 0.24 -0.18 -0.23 0.00 -0.05 0.00 0.00 56.93 56.71 2nmm s PHE 20 Cb -0.15 0.05 -0.10 0.00 -0.63 0.00 0.00 43.02 42.19 2nmm s PHE 20 CO 0.09 -0.50 0.93 0.15 -0.05 0.00 0.00 175.22 175.84 2nmm s LYS 21 N -2.80 4.40 0.19 1.99 1.02 -1.26 -0.90 119.74 122.38 2nmm s LYS 21 Ca -0.03 1.19 -0.01 0.00 0.02 0.00 0.00 55.97 57.15 2nmm s LYS 21 Cb 0.00 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2nmm s LYS 21 CO -0.05 0.15 0.10 1.52 -0.92 0.00 0.00 175.35 176.15 2nmm s TYR 22 N -1.87 1.14 0.02 3.18 -0.85 -0.44 -2.73 117.35 115.80 2nmm s TYR 22 Ca 0.55 -1.29 -0.02 0.00 -0.52 0.00 0.00 57.07 55.78 2nmm s TYR 22 Cb -0.14 -0.59 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 2nmm s TYR 22 CO 0.19 -0.54 0.02 0.14 -1.52 0.00 0.00 175.55 173.84 2nmm s VAL 23 N -4.05 0.11 -0.30 -3.49 -7.23 0.40 -1.42 120.40 104.43 2nmm s VAL 23 Ca 0.34 -0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 59.52 2nmm s VAL 23 Cb 0.07 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.59 2nmm s VAL 23 CO 0.09 -0.50 0.10 -0.22 -0.31 0.00 0.00 175.10 174.26 2nmm s LEU 24 N -1.58 3.95 0.00 1.32 2.96 -0.41 -2.37 118.68 122.56 2nmm s LEU 24 Ca -0.14 -0.70 0.07 0.00 -0.22 0.00 0.00 54.13 53.15 2nmm s LEU 24 Cb -0.08 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2nmm s LEU 24 CO -0.01 -0.21 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.96 2nmm s ILE 25 N 1.52 2.45 -0.22 6.68 1.01 -0.48 -0.43 121.20 131.72 2nmm s ILE 25 Ca 0.03 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 2nmm s ILE 25 Cb -0.17 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2nmm s ILE 25 CO 0.03 0.49 0.06 -0.60 0.00 0.00 0.00 174.94 174.92 2nmm s ARG 26 N -0.95 3.73 0.01 2.79 3.52 -0.11 0.83 118.95 128.78 2nmm s ARG 26 Ca 0.12 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2nmm s ARG 26 Cb -0.10 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 2nmm s ARG 26 CO 0.01 -0.04 0.29 0.14 -0.81 0.00 0.00 175.30 174.89 2nmm s VAL 27 N 1.21 5.27 -0.19 7.11 -7.23 -0.56 -1.97 120.40 124.03 2nmm s VAL 27 Ca 0.04 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 2nmm s VAL 27 Cb -0.14 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.26 2nmm s VAL 27 CO 0.03 0.38 -0.11 -2.28 -0.31 0.00 0.00 175.10 172.81 2nmm s HIS 28 N -1.29 2.43 1.04 2.82 2.46 0.78 -3.14 115.29 120.39 2nmm s HIS 28 Ca 0.27 -1.57 -0.14 0.00 0.47 0.00 0.00 55.06 54.09 2nmm s HIS 28 Cb -0.13 -1.66 0.21 0.00 -0.13 0.00 0.00 32.58 30.87 2nmm s HIS 28 CO 0.16 -0.74 1.12 0.45 -2.47 0.00 0.00 174.74 173.25 2nmm s SER 29 N 1.39 2.31 0.21 9.88 0.15 -0.31 -1.72 113.70 125.61 2nmm s SER 29 Ca -0.00 0.93 -0.17 0.00 0.70 0.00 0.00 55.95 57.41 2nmm s SER 29 Cb -0.16 -1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 2nmm s SER 29 CO -0.09 -3.30 0.65 0.00 1.20 0.00 0.00 173.24 171.71 2nmm s ALA 30 N -3.09 3.47 -0.77 5.45 0.00 -1.26 -4.90 121.76 120.66 2nmm s ALA 30 Ca 0.67 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 2nmm s ALA 30 Cb -0.15 -2.69 -0.16 0.00 0.00 0.00 0.00 23.12 20.13 2nmm s ALA 30 CO 0.56 0.38 2.40 -2.30 0.00 0.00 0.00 175.76 176.80 2nmm n PRO 31 N 0.56 0.56 0.00 0.00 -0.02 -1.26 -4.86 135.00 129.98 2nmm n PRO 31 Ca -0.02 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 2nmm n PRO 31 Cb 0.52 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.78 2nmm n PRO 31 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nmm n GLU 39 N 8.41 0.00 -3.64 -0.52 2.13 -1.26 -5.10 120.64 120.66 2nmm n GLU 39 Ca 0.49 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.21 2nmm n GLU 39 Cb 0.40 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.04 2nmm n GLU 39 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2nmm s SER 40 N 0.00 -0.62 0.28 4.31 0.15 -1.26 -1.16 113.70 115.39 2nmm s SER 40 Ca 0.00 1.13 -0.17 0.00 0.70 0.00 0.00 55.95 57.61 2nmm s SER 40 Cb 0.00 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.51 2nmm s SER 40 CO 0.00 -0.19 0.64 -1.59 1.20 0.00 0.00 173.24 173.30 2nmm s LYS 41 N 0.63 1.74 -0.04 5.44 -2.85 -1.19 -5.03 119.74 118.44 2nmm s LYS 41 Ca -0.01 -1.13 0.01 0.00 -1.00 0.00 0.00 55.97 53.84 2nmm s LYS 41 Cb -0.05 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 2nmm s LYS 41 CO -0.07 -0.78 -0.05 -1.21 0.10 0.00 0.00 175.35 173.34 2nmm s GLU 42 N -3.82 2.73 0.08 1.78 2.02 -1.26 -1.50 118.70 118.73 2nmm s GLU 42 Ca 0.16 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2nmm s GLU 42 Cb -0.04 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2nmm s GLU 42 CO 0.08 0.65 -0.17 0.96 0.02 0.00 0.00 175.26 176.80 2nmm s ILE 43 N -0.91 1.39 -0.16 -1.63 -4.36 0.24 -4.91 121.20 110.86 2nmm s ILE 43 Ca 0.15 -1.36 -0.12 0.00 -0.26 0.00 0.00 60.65 59.07 2nmm s ILE 43 Cb -0.11 -1.28 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 2nmm s ILE 43 CO 0.04 -0.10 0.22 -0.69 0.24 0.00 0.00 174.94 174.65 2nmm s VAL 44 N -1.15 5.36 -0.11 8.37 1.01 0.37 -1.38 120.40 132.87 2nmm s VAL 44 Ca 0.02 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 2nmm s VAL 44 Cb -0.10 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2nmm s VAL 44 CO 0.03 0.44 0.23 -0.13 0.00 0.00 0.00 175.10 175.68 2nmm s ARG 45 N 0.18 0.15 -0.22 2.72 1.81 -1.00 -1.75 118.95 120.85 2nmm s ARG 45 Ca 0.13 0.60 -0.15 0.00 -1.72 0.00 0.00 55.73 54.59 2nmm s ARG 45 Cb -0.12 -0.11 0.06 0.00 -0.45 0.00 0.00 34.95 34.33 2nmm s ARG 45 CO 0.02 -0.22 0.55 0.20 -0.68 0.00 0.00 175.30 175.16 2nmm s GLY 46 N 1.79 -0.45 0.03 -3.53 0.00 -1.14 -0.45 107.32 103.57 2nmm s GLY 46 Ca -0.04 1.82 0.01 0.00 0.00 0.00 0.00 44.72 46.52 2nmm s GLY 46 CO -0.08 1.80 -0.06 -0.19 0.00 0.00 0.00 173.10 174.57 2nmm s TYR 47 N 1.11 0.50 -0.49 1.90 2.02 -1.11 -2.68 117.35 118.60 2nmm s TYR 47 Ca -0.07 -0.51 0.26 0.00 -0.37 0.00 0.00 57.07 56.39 2nmm s TYR 47 Cb -0.06 -0.31 0.85 0.00 -0.40 0.00 0.00 41.96 42.04 2nmm s TYR 47 CO -0.11 -0.13 1.76 0.87 -1.57 0.00 0.00 175.55 176.38 2nmm h LYS 48 N 4.57 0.00 -0.00 -0.62 1.57 -1.89 -3.23 116.57 116.97 2nmm h LYS 48 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2nmm h LYS 48 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2nmm h LYS 48 CO 0.41 0.00 -0.04 -2.67 -0.57 0.00 0.00 179.45 176.58 2nmm n TRP 49 N -2.52 0.00 -3.66 -1.35 4.27 -1.26 -4.83 117.44 108.08 2nmm n TRP 49 Ca 0.04 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.28 2nmm n TRP 49 Cb 0.38 -0.32 -0.10 0.00 -1.36 0.00 0.00 31.31 29.91 2nmm n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2nmm s ALA 50 N -2.68 3.57 0.20 -1.67 0.00 -1.22 -4.96 121.76 115.00 2nmm s ALA 50 Ca 0.24 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 2nmm s ALA 50 Cb 0.20 -2.33 0.13 0.00 0.00 0.00 0.00 23.12 21.12 2nmm s ALA 50 CO 0.49 -0.26 1.51 0.93 0.00 0.00 0.00 175.76 178.43 2nmm h GLU 51 N 7.69 0.50 -5.50 0.00 5.08 -1.92 -3.45 114.58 116.98 2nmm h GLU 51 Ca -0.37 -0.32 -0.43 0.00 -1.00 0.00 0.00 59.36 57.23 2nmm h GLU 51 Cb 1.17 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 2nmm h GLU 51 CO 0.63 0.93 -0.74 0.71 -1.00 0.00 0.00 179.01 179.54 2nmm s TYR 52 N -3.94 1.60 0.24 4.33 2.02 -1.26 -5.04 117.35 115.30 2nmm s TYR 52 Ca -0.07 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 2nmm s TYR 52 Cb 0.11 -0.77 0.27 0.00 -0.40 0.00 0.00 41.96 41.17 2nmm s TYR 52 CO 0.83 0.28 1.65 0.45 -1.57 0.00 0.00 175.55 177.19 2nmm h HIS 53 N 2.82 0.69 -0.51 2.71 3.86 -1.95 -2.61 115.15 120.16 2nmm h HIS 53 Ca -0.39 -0.17 0.11 0.00 -1.16 0.00 0.00 60.37 58.77 2nmm h HIS 53 Cb 1.21 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 2nmm h HIS 53 CO 0.69 0.83 0.35 0.00 0.86 0.00 0.00 177.93 180.67 2nmm h ALA 54 N 1.16 2.20 -0.55 2.45 0.00 -1.98 0.38 119.26 122.92 2nmm h ALA 54 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2nmm h ALA 54 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2nmm h ALA 54 CO 0.06 -0.33 0.03 -0.44 0.00 0.00 0.00 179.25 178.58 2nmm h ASP 55 N 0.21 0.92 -0.18 0.00 3.32 -1.89 0.13 116.42 118.94 2nmm h ASP 55 Ca 0.24 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2nmm h ASP 55 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2nmm h ASP 55 CO -0.04 0.99 0.02 0.40 -1.72 0.00 0.00 179.24 178.88 2nmm h ILE 56 N 0.83 1.23 -0.79 0.35 2.04 -1.02 -2.30 117.51 117.85 2nmm h ILE 56 Ca 0.16 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.28 2nmm h ILE 56 Cb 0.50 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 2nmm h ILE 56 CO 0.02 0.23 0.50 0.22 0.00 0.00 0.00 178.15 179.13 2nmm h TYR 57 N 0.08 0.94 0.65 1.37 3.20 -0.99 -0.01 116.97 122.20 2nmm h TYR 57 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2nmm h TYR 57 Cb 0.33 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2nmm h TYR 57 CO 0.02 0.54 -0.34 -0.44 -1.64 0.00 0.00 178.16 176.30 2nmm h ASP 58 N 0.98 -0.84 0.02 -2.11 5.19 -0.62 0.14 116.42 119.18 2nmm h ASP 58 Ca 0.32 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.79 2nmm h ASP 58 Cb 0.02 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 2nmm h ASP 58 CO -0.12 -0.56 -0.27 0.50 -3.12 0.00 0.00 179.24 175.67 2nmm h LYS 59 N -0.92 -0.41 -0.25 3.56 1.63 -1.20 -1.28 116.57 117.70 2nmm h LYS 59 Ca -0.08 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 2nmm h LYS 59 Cb 0.72 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2nmm h LYS 59 CO 0.12 -0.27 -0.03 -0.24 -3.45 0.00 0.00 179.45 175.57 2nmm h VAL 60 N -0.42 1.27 0.00 2.00 3.04 -0.99 -1.88 116.25 119.27 2nmm h VAL 60 Ca 0.06 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 2nmm h VAL 60 Cb 0.50 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2nmm h VAL 60 CO -0.22 0.31 -0.06 0.77 -1.01 0.00 0.00 177.57 177.36 2nmm h SER 61 N 0.23 0.00 -0.09 3.17 4.64 -0.67 -1.72 113.55 119.11 2nmm h SER 61 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2nmm h SER 61 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2nmm h SER 61 CO 0.02 0.06 -0.09 1.23 -0.87 0.00 0.00 176.83 177.18 2nmm h GLY 62 N 0.45 0.23 -2.72 -0.77 0.00 -0.78 -2.80 103.07 96.69 2nmm h GLY 62 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2nmm h GLY 62 CO 0.01 0.22 0.00 1.22 0.00 0.00 0.00 176.54 177.98 2nmm n ASP 63 N -4.67 0.68 0.00 0.19 8.00 -0.65 -3.46 116.55 116.64 2nmm n ASP 63 Ca -0.07 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2nmm n ASP 63 Cb 0.32 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2nmm n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nmm n GLN 65 N 1.31 0.00 0.00 -1.24 6.02 -1.06 -3.22 117.38 119.19 2nmm n GLN 65 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2nmm n GLN 65 Cb 0.09 0.00 0.66 0.00 1.02 0.00 0.00 30.24 32.00 2nmm n GLN 65 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2nmm n LYS 66 N 0.00 0.47 -0.04 -1.09 5.02 -1.22 -1.83 118.16 119.46 2nmm n LYS 66 Ca 0.00 0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.35 2nmm n LYS 66 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.55 2nmm n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2nmm n GLN 67 N -1.21 1.72 -2.67 1.97 1.13 -1.20 -4.97 117.38 112.15 2nmm n GLN 67 Ca 0.14 -1.35 -0.08 0.00 -1.94 0.00 0.00 57.00 53.77 2nmm n GLN 67 Cb 0.17 -1.09 0.02 0.00 0.11 0.00 0.00 30.24 29.45 2nmm n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nmm n GLY 68 N -0.01 0.31 3.29 1.08 0.00 -0.76 -4.62 105.19 104.48 2nmm n GLY 68 Ca 0.03 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2nmm n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmm s ASP 70 N -0.63 6.62 0.11 0.00 2.15 -0.70 -3.22 116.67 120.99 2nmm s ASP 70 Ca 0.10 0.81 0.09 0.00 0.43 0.00 0.00 52.55 53.98 2nmm s ASP 70 Cb -0.10 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 2nmm s ASP 70 CO -0.01 0.06 -0.23 0.00 -0.17 0.00 0.00 175.17 174.82 2nmm s GLU 72 N -1.88 0.17 -0.35 0.00 2.02 -0.83 -4.98 118.70 112.85 2nmm s GLU 72 Ca 0.09 0.65 -0.25 0.00 0.02 0.00 0.00 54.97 55.48 2nmm s GLU 72 Cb -0.10 -0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.06 2nmm s GLU 72 CO 0.05 -0.23 0.88 0.00 0.02 0.00 0.00 175.26 175.97 2nmm n LEU 74 N 6.57 4.91 0.00 0.00 4.77 0.43 -5.01 117.00 128.67 2nmm n LEU 74 Ca 0.06 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 2nmm n LEU 74 Cb 0.48 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2nmm n LEU 74 CO 0.55 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2nmm n GLY 75 N 0.66 1.92 1.15 -0.72 0.00 -1.25 -4.44 105.19 102.51 2nmm n GLY 75 Ca 0.24 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 2nmm n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmm n GLY 76 N -1.20 2.22 0.00 -0.02 0.00 -0.65 -1.29 105.19 104.26 2nmm n GLY 76 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2nmm n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmm n GLY 77 N -0.18 -0.86 2.95 -0.02 0.00 -0.51 -2.52 105.19 104.06 2nmm n GLY 77 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2nmm n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nmm s ARG 78 N -0.68 0.22 -0.13 1.61 0.52 0.14 -1.33 118.95 119.30 2nmm s ARG 78 Ca 0.00 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2nmm s ARG 78 Cb 0.00 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.56 2nmm s ARG 78 CO 0.00 -0.04 -0.22 0.42 0.02 0.00 0.00 175.30 175.48 2nmm s ILE 79 N -0.91 2.09 -0.48 1.52 1.01 -0.07 -0.50 121.20 123.85 2nmm s ILE 79 Ca -0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 2nmm s ILE 79 Cb -0.06 -1.82 0.11 0.00 0.01 0.00 0.00 42.46 40.69 2nmm s ILE 79 CO -0.00 0.55 0.38 -0.55 0.00 0.00 0.00 174.94 175.31 2nmm s SER 80 N 0.64 5.89 -0.32 3.58 0.15 0.13 -2.10 113.70 121.67 2nmm s SER 80 Ca -0.11 -1.70 -0.16 0.00 0.70 0.00 0.00 55.95 54.68 2nmm s SER 80 Cb -0.16 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2nmm s SER 80 CO 0.02 -0.70 0.39 -2.28 1.20 0.00 0.00 173.24 171.87 2nmm s HIS 81 N 1.48 3.21 -0.81 3.44 2.46 -0.80 -1.42 115.29 122.85 2nmm s HIS 81 Ca 0.04 0.13 -0.00 0.00 0.47 0.00 0.00 55.06 55.70 2nmm s HIS 81 Cb -0.26 -2.68 0.20 0.00 -0.13 0.00 0.00 32.58 29.70 2nmm s HIS 81 CO 0.02 -0.39 0.67 -0.65 -2.47 0.00 0.00 174.74 171.91 2nmm s GLN 82 N 2.09 2.99 0.47 2.88 -0.21 0.11 -3.26 119.66 124.74 2nmm s GLN 82 Ca 0.14 -3.18 0.23 0.00 0.02 0.00 0.00 55.36 52.56 2nmm s GLN 82 Cb -0.16 -3.80 1.25 0.00 1.00 0.00 0.00 33.01 31.29 2nmm s GLN 82 CO 0.11 -1.25 1.88 0.66 -2.12 0.00 0.00 175.29 174.57 2nmm h SER 83 N 6.03 0.23 0.39 5.90 4.64 -1.79 -0.66 113.55 128.28 2nmm h SER 83 Ca 0.13 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2nmm h SER 83 Cb 0.82 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2nmm h SER 83 CO 0.80 0.09 -0.19 -0.61 -0.87 0.00 0.00 176.83 176.06 2nmm h GLN 84 N 0.23 -0.50 -0.22 4.77 4.15 -1.91 -3.12 115.11 118.52 2nmm h GLN 84 Ca 0.43 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.89 2nmm h GLN 84 Cb 1.33 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.13 2nmm h GLN 84 CO -0.10 -0.19 0.00 -0.25 -1.93 0.00 0.00 178.83 176.35 2nmm n ASP 85 N -5.19 1.26 -3.66 -0.69 8.00 -1.02 -4.92 116.55 110.33 2nmm n ASP 85 Ca -0.10 -1.93 -0.24 0.00 0.71 0.00 0.00 54.79 53.23 2nmm n ASP 85 Cb 0.28 -0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 2nmm n ASP 85 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nmm n LYS 86 N 0.16 -3.33 -4.31 -1.24 4.76 -0.34 -4.87 118.16 109.00 2nmm n LYS 86 Ca 0.09 0.58 -0.18 0.00 -2.87 0.00 0.00 58.31 55.94 2nmm n LYS 86 Cb 0.21 -4.89 -0.14 0.00 -1.84 0.00 0.00 35.03 28.37 2nmm n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2nmm s LYS 87 N -5.82 0.71 -0.17 1.97 1.02 -0.72 -1.81 119.74 114.91 2nmm s LYS 87 Ca 0.20 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 2nmm s LYS 87 Cb -0.06 -0.67 0.06 0.00 -0.52 0.00 0.00 37.83 36.64 2nmm s LYS 87 CO 0.82 0.18 0.06 0.42 -0.92 0.00 0.00 175.35 175.91 2nmm s ILE 88 N -0.44 0.24 -0.13 2.17 1.01 -1.04 0.09 121.20 123.10 2nmm s ILE 88 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2nmm s ILE 88 Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2nmm s ILE 88 CO 0.00 -0.21 0.03 -2.28 0.00 0.00 0.00 174.94 172.48 2nmm s HIS 89 N 1.99 3.21 -0.14 3.97 2.46 -0.51 -1.98 115.29 124.29 2nmm s HIS 89 Ca 0.01 0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.66 2nmm s HIS 89 Cb -0.16 -1.92 0.01 0.00 -0.13 0.00 0.00 32.58 30.37 2nmm s HIS 89 CO -0.08 0.31 -0.21 0.08 -2.47 0.00 0.00 174.74 172.36 2nmm s VAL 90 N -0.29 2.11 0.01 0.89 1.01 0.08 0.20 120.40 124.42 2nmm s VAL 90 Ca 0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2nmm s VAL 90 Cb -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2nmm s VAL 90 CO 0.02 0.55 0.02 0.00 0.00 0.00 0.00 175.10 175.69 2nmm n TYR 91 N 4.12 -0.77 -4.69 5.22 4.11 0.34 -0.15 117.16 125.34 2nmm n TYR 91 Ca -0.20 -0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.62 2nmm n TYR 91 Cb 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2nmm n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2nmm n GLY 92 N -0.02 0.25 3.59 -7.48 0.00 -1.26 0.27 105.19 100.54 2nmm n GLY 92 Ca -0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 2nmm n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nmm s TYR 93 N 0.00 0.45 0.00 1.61 1.13 -1.25 -4.54 117.35 114.74 2nmm s TYR 93 Ca 0.00 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.85 2nmm s TYR 93 Cb 0.00 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 41.06 2nmm s TYR 93 CO 0.00 -1.06 0.00 0.45 -2.51 0.00 0.00 175.55 172.43 2nmm n SER 94 N -0.62 0.62 0.00 -0.18 2.88 -1.04 -4.27 113.62 111.01 2nmm n SER 94 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2nmm n SER 94 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2nmm n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nmm n ALA 96 N -3.00 0.00 -0.19 -1.46 0.00 -1.26 0.60 120.51 115.20 2nmm n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nmm n ALA 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2nmm n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nmm n TYR 97 N 0.00 0.00 -2.83 0.00 4.01 -1.26 -5.08 117.16 112.01 2nmm n TYR 97 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2nmm n TYR 97 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2nmm n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nmm n GLY 98 N 0.28 -2.16 3.79 2.72 0.00 0.20 -4.04 105.19 105.98 2nmm n GLY 98 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 2nmm n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nmm s PRO 99 N -0.28 3.98 0.27 1.61 0.04 -1.26 -1.64 135.00 137.72 2nmm s PRO 99 Ca 0.00 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.53 2nmm s PRO 99 Cb 0.00 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2nmm s PRO 99 CO 0.00 -0.29 0.38 0.00 0.04 0.00 0.00 177.00 177.12 2nmm s ALA 100 N -1.83 3.99 -1.15 8.56 0.00 -1.05 -4.42 121.76 125.86 2nmm s ALA 100 Ca 0.63 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2nmm s ALA 100 Cb -0.19 -1.66 0.08 0.00 0.00 0.00 0.00 23.12 21.35 2nmm s ALA 100 CO 0.23 0.15 1.54 -1.14 0.00 0.00 0.00 175.76 176.55 2nmm s GLN 101 N -4.03 3.82 0.41 0.00 0.74 -1.26 -4.82 119.66 114.53 2nmm s GLN 101 Ca 0.37 -1.73 0.17 0.00 0.05 0.00 0.00 55.36 54.22 2nmm s GLN 101 Cb -0.09 -5.36 0.94 0.00 1.10 0.00 0.00 33.01 29.60 2nmm s GLN 101 CO 0.29 -2.14 1.46 0.45 -0.55 0.00 0.00 175.29 174.80 2nmm h HIS 102 N 8.44 0.00 -0.30 1.67 3.86 -1.94 0.15 115.15 127.03 2nmm h HIS 102 Ca 0.32 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.37 2nmm h HIS 102 Cb 0.94 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 2nmm h HIS 102 CO 1.31 0.00 -0.45 0.00 0.86 0.00 0.00 177.93 179.65 2nmm h ALA 103 N 1.23 0.64 -0.20 2.45 0.00 -1.97 -0.28 119.26 121.13 2nmm h ALA 103 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2nmm h ALA 103 Cb 0.62 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2nmm h ALA 103 CO 0.00 0.67 -0.70 0.82 0.00 0.00 0.00 179.25 180.05 2nmm h ILE 104 N 0.62 1.28 -0.50 0.00 2.04 -1.11 -1.97 117.51 117.87 2nmm h ILE 104 Ca 0.04 -1.90 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2nmm h ILE 104 Cb 1.02 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 2nmm h ILE 104 CO 0.10 0.61 0.28 0.28 0.00 0.00 0.00 178.15 179.41 2nmm h SER 105 N 0.57 0.61 0.97 1.72 0.02 -1.42 -2.13 113.55 113.89 2nmm h SER 105 Ca -0.03 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2nmm h SER 105 Cb 1.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2nmm h SER 105 CO 0.15 0.52 -0.16 0.71 -1.14 0.00 0.00 176.83 176.91 2nmm h THR 106 N 0.66 0.40 0.31 -2.27 1.35 -1.02 -0.68 112.91 111.65 2nmm h THR 106 Ca 0.18 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 65.07 2nmm h THR 106 Cb 0.04 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2nmm h THR 106 CO -0.03 0.16 -0.15 -0.08 -0.25 0.00 0.00 175.52 175.17 2nmm h GLU 107 N 0.00 -0.40 -0.29 4.72 4.22 -0.71 0.22 114.58 122.35 2nmm h GLU 107 Ca -0.00 0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 2nmm h GLU 107 Cb 0.69 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2nmm h GLU 107 CO 0.02 -0.09 -0.14 0.87 -2.18 0.00 0.00 179.01 177.49 2nmm h LYS 108 N -0.72 0.49 0.14 1.92 1.57 -1.37 -2.02 116.57 116.57 2nmm h LYS 108 Ca -0.04 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2nmm h LYS 108 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2nmm h LYS 108 CO 0.07 0.62 -0.06 0.82 -0.57 0.00 0.00 179.45 180.33 2nmm h ILE 109 N 0.45 1.03 -0.25 1.86 2.04 -1.07 -2.83 117.51 118.74 2nmm h ILE 109 Ca 0.08 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2nmm h ILE 109 Cb 0.51 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2nmm h ILE 109 CO 0.03 0.22 0.19 0.50 0.00 0.00 0.00 178.15 179.09 2nmm h LYS 110 N -0.66 0.00 -0.05 2.37 1.63 -0.92 0.34 116.57 119.27 2nmm h LYS 110 Ca -0.02 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2nmm h LYS 110 Cb 0.50 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2nmm h LYS 110 CO 0.03 0.00 -0.47 0.00 -3.45 0.00 0.00 179.45 175.56 2nmm h ALA 111 N 1.85 1.12 0.00 5.00 0.00 -1.25 -2.36 119.26 123.62 2nmm h ALA 111 Ca 0.12 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 2nmm h ALA 111 Cb 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2nmm h ALA 111 CO -0.00 0.61 -1.41 -0.22 0.00 0.00 0.00 179.25 178.23 2nmm h LYS 112 N 0.11 0.00 -2.16 0.00 3.64 -0.47 -3.39 116.57 114.29 2nmm h LYS 112 Ca 0.01 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2nmm h LYS 112 Cb 0.87 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.27 2nmm h LYS 112 CO 0.07 0.59 -0.68 0.66 -2.27 0.00 0.00 179.45 177.82 2nmm n TYR 113 N -3.11 3.05 -0.11 1.91 4.01 0.89 -4.94 117.16 118.85 2nmm n TYR 113 Ca -0.10 -4.06 -0.00 0.00 -0.16 0.00 0.00 57.90 53.58 2nmm n TYR 113 Cb 0.97 -0.52 0.27 0.00 -0.31 0.00 0.00 39.34 39.75 2nmm n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2nmm h PRO 114 N 4.07 0.77 0.00 -0.72 0.13 -1.64 -2.14 132.00 132.48 2nmm h PRO 114 Ca 0.18 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2nmm h PRO 114 Cb 0.69 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2nmm h PRO 114 CO 0.78 0.62 0.00 -0.44 -0.23 0.00 0.00 178.00 178.73 2nmm h ASP 115 N 0.77 0.00 -3.96 1.44 3.32 -1.92 -3.44 116.42 112.63 2nmm h ASP 115 Ca 0.19 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.76 2nmm h ASP 115 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2nmm h ASP 115 CO -0.02 0.00 0.25 -0.31 -1.72 0.00 0.00 179.24 177.44 2nmm s TYR 116 N -3.43 3.43 -0.42 4.55 2.02 -0.80 -5.00 117.35 117.70 2nmm s TYR 116 Ca 0.03 1.32 -0.15 0.00 -0.37 0.00 0.00 57.07 57.89 2nmm s TYR 116 Cb 0.09 -2.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 2nmm s TYR 116 CO 0.41 -0.19 0.32 -2.00 -1.57 0.00 0.00 175.55 172.51 2nmm s GLU 117 N -3.76 2.97 -0.07 -0.62 2.12 -0.75 -5.01 118.70 113.58 2nmm s GLU 117 Ca 0.56 -1.09 -0.04 0.00 0.36 0.00 0.00 54.97 54.76 2nmm s GLU 117 Cb -0.10 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 2nmm s GLU 117 CO 0.27 -0.81 0.10 0.08 -0.54 0.00 0.00 175.26 174.36 2nmm s VAL 118 N 1.67 5.03 0.19 3.70 1.01 -1.26 -2.51 120.40 128.23 2nmm s VAL 118 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2nmm s VAL 118 Cb -0.20 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 2nmm s VAL 118 CO 0.09 0.53 0.35 0.42 0.00 0.00 0.00 175.10 176.49 2nmm s THR 119 N -1.06 0.04 -0.02 3.92 -4.23 -0.84 -5.00 115.64 108.46 2nmm s THR 119 Ca 0.18 -1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 59.29 2nmm s THR 119 Cb -0.12 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 71.83 2nmm s THR 119 CO 0.07 -0.20 0.14 -1.66 -0.54 0.00 0.00 174.62 172.43 2nmm s TRP 120 N -3.97 -0.02 -2.93 3.99 1.48 -1.26 -0.74 118.94 115.49 2nmm s TRP 120 Ca 0.18 0.03 0.23 0.00 -1.06 0.00 0.00 56.10 55.48 2nmm s TRP 120 Cb 0.02 -0.02 0.19 0.00 -1.16 0.00 0.00 33.47 32.50 2nmm s TRP 120 CO 0.02 -0.22 1.24 0.00 -4.06 0.00 0.00 176.95 173.93