#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmm s SER -1 N 0.00 5.28 0.00 0.26 0.15 -1.26 -5.32 113.70 112.81 2nmm s SER -1 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2nmm s SER -1 Cb 0.00 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2nmm s SER -1 CO 0.00 -0.42 0.00 1.41 1.20 0.00 0.00 173.24 175.43 2nmm n HIS 0 N -1.43 0.00 -2.71 3.44 -0.00 -1.26 -5.21 115.22 108.05 2nmm n HIS 0 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2nmm n HIS 0 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2nmm n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2nmm n ALA 2 N -3.00 0.00 -1.93 -1.41 0.00 -1.26 -5.16 120.51 107.75 2nmm n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2nmm n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2nmm n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nmm s VAL 3 N 1.19 4.00 0.04 0.00 -7.23 -1.26 -4.70 120.40 112.44 2nmm s VAL 3 Ca 0.00 1.86 -0.19 0.00 -1.81 0.00 0.00 61.98 61.84 2nmm s VAL 3 Cb 0.00 -4.19 -0.15 0.00 0.56 0.00 0.00 36.38 32.60 2nmm s VAL 3 CO 0.00 0.38 1.31 0.00 -0.31 0.00 0.00 175.10 176.48 2nmm h ALA 4 N 4.60 0.23 -5.65 1.32 0.00 -1.91 -3.49 119.26 114.36 2nmm h ALA 4 Ca -0.45 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2nmm h ALA 4 Cb 1.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2nmm h ALA 4 CO 0.70 0.20 -0.93 -3.47 0.00 0.00 0.00 179.25 175.75 2nmm n ASP 5 N -4.45 -5.62 -0.38 0.00 2.03 -1.26 -4.62 116.55 102.25 2nmm n ASP 5 Ca -0.06 1.05 0.30 0.00 0.52 0.00 0.00 54.79 56.60 2nmm n ASP 5 Cb 0.43 -3.52 0.60 0.00 -0.72 0.00 0.00 41.12 37.91 2nmm n ASP 5 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2nmm h LEU 6 N 3.94 0.31 -1.50 -2.67 3.38 -1.95 -0.87 115.31 115.94 2nmm h LEU 6 Ca -0.15 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.10 2nmm h LEU 6 Cb 0.58 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2nmm h LEU 6 CO 0.03 -0.03 0.56 0.00 0.09 0.00 0.00 178.44 179.09 2nmm h ALA 7 N 1.58 2.12 -0.52 1.53 0.00 -2.03 0.79 119.26 122.74 2nmm h ALA 7 Ca 0.69 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2nmm h ALA 7 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2nmm h ALA 7 CO -0.31 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 179.84 2nmm n LEU 8 N -4.51 3.21 -4.55 0.00 4.77 -0.33 -4.84 117.00 110.75 2nmm n LEU 8 Ca 0.17 -1.61 -0.38 0.00 -0.03 0.00 0.00 56.01 54.16 2nmm n LEU 8 Cb 0.61 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2nmm n LEU 8 CO 0.31 0.68 -0.19 -0.63 -1.33 0.00 0.00 177.39 176.24 2nmm s ILE 9 N -1.49 5.09 0.21 -0.08 1.01 0.27 -5.05 121.20 121.16 2nmm s ILE 9 Ca 0.37 0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.72 2nmm s ILE 9 Cb 0.21 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 2nmm s ILE 9 CO 0.22 0.22 1.58 -0.81 0.00 0.00 0.00 174.94 176.15 2nmm n PRO 10 N 5.04 2.34 0.20 2.79 -0.04 -1.26 -4.86 135.00 139.21 2nmm n PRO 10 Ca -0.14 0.84 0.05 0.00 -0.04 0.00 0.00 63.50 64.21 2nmm n PRO 10 Cb 0.51 -2.60 0.43 0.00 -0.04 0.00 0.00 33.50 31.80 2nmm n PRO 10 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nmm h ASP 11 N 5.61 0.00 -3.59 3.54 3.32 -1.94 -3.44 116.42 119.92 2nmm h ASP 11 Ca -0.45 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.29 2nmm h ASP 11 Cb 1.24 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.47 2nmm h ASP 11 CO 0.86 0.32 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.27 2nmm s VAL 12 N -4.05 0.12 -0.34 -1.35 1.01 -1.26 -0.78 120.40 113.74 2nmm s VAL 12 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2nmm s VAL 12 Cb 0.13 -0.19 0.15 0.00 0.00 0.00 0.00 36.38 36.48 2nmm s VAL 12 CO 0.69 0.10 0.36 -0.62 0.00 0.00 0.00 175.10 175.63 2nmm s ASP 13 N 0.71 1.22 0.17 3.32 2.15 -0.69 -5.01 116.67 118.53 2nmm s ASP 13 Ca -0.07 -1.25 0.05 0.00 0.43 0.00 0.00 52.55 51.71 2nmm s ASP 13 Cb -0.10 0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 43.08 2nmm s ASP 13 CO -0.01 -0.30 -0.10 0.27 -0.17 0.00 0.00 175.17 174.85 2nmm s ILE 14 N 1.78 1.27 0.86 4.11 -4.36 -1.26 -2.15 121.20 121.46 2nmm s ILE 14 Ca 0.14 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.34 2nmm s ILE 14 Cb -0.15 -1.95 0.11 0.00 1.25 0.00 0.00 42.46 41.73 2nmm s ILE 14 CO -0.14 -0.67 1.10 -1.81 0.24 0.00 0.00 174.94 173.66 2nmm s ASP 15 N -3.21 3.67 0.47 4.36 1.01 -1.03 -4.96 116.67 116.97 2nmm s ASP 15 Ca 0.19 1.78 0.26 0.00 0.71 0.00 0.00 52.55 55.49 2nmm s ASP 15 Cb 0.02 -2.41 1.00 0.00 1.01 0.00 0.00 42.92 42.54 2nmm s ASP 15 CO 0.03 -2.56 1.85 0.77 0.21 0.00 0.00 175.17 175.47 2nmm h SER 16 N -1.49 0.00 -4.84 0.27 4.64 -1.95 -3.48 113.55 106.70 2nmm h SER 16 Ca -0.46 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2nmm h SER 16 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 2nmm h SER 16 CO 0.50 0.17 0.32 -0.62 -0.87 0.00 0.00 176.83 176.32 2nmm s ASP 17 N -6.08 -0.50 0.00 4.97 3.68 -1.26 -4.31 116.67 113.17 2nmm s ASP 17 Ca 0.01 0.08 0.00 0.00 2.13 0.00 0.00 52.55 54.77 2nmm s ASP 17 Cb 0.10 0.51 0.00 0.00 -1.45 0.00 0.00 42.92 42.08 2nmm s ASP 17 CO 0.62 -0.80 0.00 0.61 0.13 0.00 0.00 175.17 175.73 2nmm n GLY 18 N -0.17 -2.20 3.84 2.66 0.00 0.17 -4.81 105.19 104.68 2nmm n GLY 18 Ca -0.14 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.25 5.04 0.10 1.61 1.01 -1.26 -0.25 120.40 126.40 2nmm s VAL 19 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.41 2nmm s VAL 19 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 33.12 2nmm s VAL 19 CO 0.00 0.33 0.91 0.72 0.00 0.00 0.00 175.10 177.06 2nmm s PHE 20 N -1.26 -0.23 0.22 5.22 -0.12 -0.90 -4.88 117.98 116.03 2nmm s PHE 20 Ca 0.25 -0.01 -0.21 0.00 -0.05 0.00 0.00 56.93 56.91 2nmm s PHE 20 Cb -0.12 0.60 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 2nmm s PHE 20 CO 0.16 -0.73 0.76 0.15 -0.05 0.00 0.00 175.22 175.51 2nmm s LYS 21 N -3.26 4.34 0.09 1.99 1.02 -1.26 -0.79 119.74 121.86 2nmm s LYS 21 Ca 0.09 0.96 0.01 0.00 0.02 0.00 0.00 55.97 57.06 2nmm s LYS 21 Cb -0.01 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2nmm s LYS 21 CO -0.03 0.41 -0.06 1.52 -0.92 0.00 0.00 175.35 176.27 2nmm s TYR 22 N -1.48 0.82 0.00 3.18 -0.85 -0.46 -2.84 117.35 115.73 2nmm s TYR 22 Ca 0.43 -0.94 -0.00 0.00 -0.52 0.00 0.00 57.07 56.04 2nmm s TYR 22 Cb -0.18 -0.49 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 2nmm s TYR 22 CO 0.22 -0.19 -0.00 0.14 -1.52 0.00 0.00 175.55 174.20 2nmm s VAL 23 N -3.64 0.03 -0.15 -3.49 -7.23 -0.49 -1.00 120.40 104.43 2nmm s VAL 23 Ca 0.11 -0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 59.83 2nmm s VAL 23 Cb 0.06 -0.10 -0.04 0.00 0.56 0.00 0.00 36.38 36.86 2nmm s VAL 23 CO -0.06 -0.15 0.43 -0.22 -0.31 0.00 0.00 175.10 174.79 2nmm s LEU 24 N -0.44 4.23 0.06 1.32 2.96 -0.02 -2.27 118.68 124.51 2nmm s LEU 24 Ca -0.05 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 2nmm s LEU 24 Cb -0.03 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 2nmm s LEU 24 CO -0.00 -0.01 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.16 2nmm s ILE 25 N 0.83 1.84 -0.24 6.68 1.01 0.21 -1.27 121.20 130.25 2nmm s ILE 25 Ca 0.22 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 2nmm s ILE 25 Cb -0.15 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2nmm s ILE 25 CO 0.08 0.21 0.08 -0.60 0.00 0.00 0.00 174.94 174.72 2nmm s ARG 26 N -1.33 3.72 -0.22 2.79 6.06 0.04 -0.69 118.95 129.31 2nmm s ARG 26 Ca 0.09 -0.45 -0.01 0.00 -2.50 0.00 0.00 55.73 52.86 2nmm s ARG 26 Cb -0.09 -3.35 0.06 0.00 0.06 0.00 0.00 34.95 31.63 2nmm s ARG 26 CO 0.02 -0.13 0.00 0.54 -2.50 0.00 0.00 175.30 173.23 2nmm s VAL 27 N 1.48 1.01 -0.01 7.11 0.11 -0.68 -1.09 120.40 128.33 2nmm s VAL 27 Ca 0.06 -0.93 -0.20 0.00 -2.93 0.00 0.00 61.98 57.97 2nmm s VAL 27 Cb -0.15 -1.44 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 2nmm s VAL 27 CO 0.04 -0.20 0.58 -2.28 -3.33 0.00 0.00 175.10 169.91 2nmm s HIS 28 N 1.62 3.67 0.98 1.54 2.46 -1.12 -2.56 115.29 121.89 2nmm s HIS 28 Ca -0.02 1.16 -0.15 0.00 0.47 0.00 0.00 55.06 56.52 2nmm s HIS 28 Cb -0.18 -2.59 -0.03 0.00 -0.13 0.00 0.00 32.58 29.65 2nmm s HIS 28 CO -0.08 0.35 -0.15 -1.13 -2.47 0.00 0.00 174.74 171.26 2nmm n SER 29 N 2.76 -3.54 -0.43 9.88 3.41 -1.26 -4.10 113.62 120.34 2nmm n SER 29 Ca -0.07 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2nmm n SER 29 Cb 0.51 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2nmm n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nmm n ALA 30 N -3.28 1.64 -3.68 7.33 0.00 -1.26 -4.85 120.51 116.41 2nmm n ALA 30 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2nmm n ALA 30 Cb 0.56 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 2nmm n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nmm s SER 40 N -0.74 0.21 0.27 0.00 0.15 -1.26 -5.06 113.70 107.27 2nmm s SER 40 Ca 0.00 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.25 2nmm s SER 40 Cb 0.00 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2nmm s SER 40 CO 0.00 -0.22 -0.05 -1.59 1.20 0.00 0.00 173.24 172.58 2nmm s LYS 41 N 2.06 1.50 -0.15 5.44 -2.85 -1.06 -4.98 119.74 119.70 2nmm s LYS 41 Ca -0.02 -1.76 -0.05 0.00 -1.00 0.00 0.00 55.97 53.14 2nmm s LYS 41 Cb -0.12 -1.04 -0.04 0.00 -2.06 0.00 0.00 37.83 34.57 2nmm s LYS 41 CO -0.08 0.01 0.04 -1.21 0.10 0.00 0.00 175.35 174.21 2nmm s GLU 42 N -3.75 3.65 0.02 1.78 8.01 -1.26 -1.68 118.70 125.46 2nmm s GLU 42 Ca 0.29 -0.37 0.06 0.00 0.01 0.00 0.00 54.97 54.96 2nmm s GLU 42 Cb 0.04 -3.07 -0.02 0.00 -4.31 0.00 0.00 34.13 26.78 2nmm s GLU 42 CO 0.11 0.42 -0.18 0.96 0.01 0.00 0.00 175.26 176.58 2nmm s ILE 43 N -0.06 1.43 -0.36 -1.63 -4.36 0.13 -4.87 121.20 111.49 2nmm s ILE 43 Ca 0.05 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.39 2nmm s ILE 43 Cb -0.12 -1.23 0.02 0.00 1.25 0.00 0.00 42.46 42.38 2nmm s ILE 43 CO 0.01 0.25 0.18 -0.69 0.24 0.00 0.00 174.94 174.94 2nmm s VAL 44 N -0.63 4.43 -0.19 8.37 1.01 0.04 -0.62 120.40 132.81 2nmm s VAL 44 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2nmm s VAL 44 Cb -0.08 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2nmm s VAL 44 CO 0.01 -0.18 -0.17 -0.13 0.00 0.00 0.00 175.10 174.63 2nmm s ARG 45 N 1.54 3.03 -0.07 2.72 1.81 -0.96 -1.71 118.95 125.30 2nmm s ARG 45 Ca 0.02 -0.81 -0.03 0.00 -1.72 0.00 0.00 55.73 53.18 2nmm s ARG 45 Cb -0.19 -2.65 0.04 0.00 -0.45 0.00 0.00 34.95 31.70 2nmm s ARG 45 CO 0.06 -0.22 0.13 0.20 -0.68 0.00 0.00 175.30 174.79 2nmm s GLY 46 N 1.31 0.09 0.02 -3.53 0.00 -0.91 -1.39 107.32 102.91 2nmm s GLY 46 Ca 0.05 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.27 2nmm s GLY 46 CO -0.11 1.59 -0.11 -0.19 0.00 0.00 0.00 173.10 174.28 2nmm s TYR 47 N 2.24 0.94 0.33 1.90 2.02 -1.13 -2.45 117.35 121.20 2nmm s TYR 47 Ca 0.03 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 2nmm s TYR 47 Cb -0.12 -0.58 0.58 0.00 -0.40 0.00 0.00 41.96 41.44 2nmm s TYR 47 CO -0.05 -0.00 1.76 0.87 -1.57 0.00 0.00 175.55 176.55 2nmm h LYS 48 N 5.25 0.11 0.00 -0.62 1.57 -1.90 -2.95 116.57 118.04 2nmm h LYS 48 Ca -0.35 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2nmm h LYS 48 Cb 1.18 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 2nmm h LYS 48 CO 0.46 0.50 -0.07 0.11 -0.57 0.00 0.00 179.45 179.88 2nmm h TRP 49 N 0.09 0.00 -1.95 -1.35 5.08 -1.97 -3.43 115.95 112.42 2nmm h TRP 49 Ca 0.01 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.42 2nmm h TRP 49 Cb 0.75 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.91 2nmm h TRP 49 CO 0.01 0.07 1.51 0.00 -1.28 0.00 0.00 178.44 178.74 2nmm s ALA 50 N -4.30 2.45 0.18 0.11 0.00 -1.11 -4.85 121.76 114.23 2nmm s ALA 50 Ca -0.03 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.52 2nmm s ALA 50 Cb 0.13 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2nmm s ALA 50 CO 0.55 -3.23 1.40 1.49 0.00 0.00 0.00 175.76 175.97 2nmm h GLU 51 N 16.05 0.02 -4.46 0.00 4.81 -1.90 -3.44 114.58 125.67 2nmm h GLU 51 Ca -0.36 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 58.62 2nmm h GLU 51 Cb 1.24 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 2nmm h GLU 51 CO 1.02 0.87 -0.71 0.71 -0.73 0.00 0.00 179.01 180.17 2nmm s TYR 52 N -3.06 0.65 0.38 0.92 2.02 -1.26 -5.04 117.35 111.95 2nmm s TYR 52 Ca -0.00 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.08 2nmm s TYR 52 Cb 0.11 -0.40 0.78 0.00 -0.40 0.00 0.00 41.96 42.05 2nmm s TYR 52 CO 0.80 -0.15 2.00 0.45 -1.57 0.00 0.00 175.55 177.08 2nmm h HIS 53 N 3.96 0.67 -0.52 2.71 3.86 -1.97 -1.73 115.15 122.12 2nmm h HIS 53 Ca -0.35 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 58.92 2nmm h HIS 53 Cb 1.19 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.40 2nmm h HIS 53 CO 0.62 0.39 0.35 0.00 0.86 0.00 0.00 177.93 180.15 2nmm h ALA 54 N 1.65 1.78 -0.36 2.45 0.00 -1.99 -1.96 119.26 120.83 2nmm h ALA 54 Ca 0.24 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2nmm h ALA 54 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2nmm h ALA 54 CO -0.07 0.16 0.15 -0.44 0.00 0.00 0.00 179.25 179.05 2nmm h ASP 55 N 0.57 0.19 0.86 0.00 5.19 -1.73 0.15 116.42 121.66 2nmm h ASP 55 Ca 0.21 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2nmm h ASP 55 Cb 0.15 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.66 2nmm h ASP 55 CO -0.06 0.15 -0.41 0.40 -3.12 0.00 0.00 179.24 176.20 2nmm h ILE 56 N 0.32 0.00 -0.29 0.35 2.04 -1.42 -2.85 117.51 115.66 2nmm h ILE 56 Ca 0.16 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.02 2nmm h ILE 56 Cb 0.10 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.12 2nmm h ILE 56 CO -0.14 0.00 -0.13 0.22 0.00 0.00 0.00 178.15 178.10 2nmm h TYR 57 N -1.22 -0.31 -0.86 1.37 3.20 -1.34 -0.64 116.97 117.17 2nmm h TYR 57 Ca -0.12 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.91 2nmm h TYR 57 Cb 0.89 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 2nmm h TYR 57 CO 0.02 -0.20 0.56 -0.44 -1.64 0.00 0.00 178.16 176.46 2nmm h ASP 58 N -0.09 0.64 0.23 -2.11 3.32 -0.76 0.37 116.42 118.03 2nmm h ASP 58 Ca 0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2nmm h ASP 58 Cb 0.31 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2nmm h ASP 58 CO -0.34 0.35 -0.11 0.50 -1.72 0.00 0.00 179.24 177.91 2nmm h LYS 59 N 0.69 -0.30 0.02 3.56 3.64 -1.06 -2.17 116.57 120.95 2nmm h LYS 59 Ca 0.42 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2nmm h LYS 59 Cb 0.64 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2nmm h LYS 59 CO -0.18 0.05 -0.01 -0.24 -2.27 0.00 0.00 179.45 176.80 2nmm h VAL 60 N -0.93 1.05 -0.77 2.00 3.04 -0.94 -1.99 116.25 117.71 2nmm h VAL 60 Ca -0.03 -0.20 -0.04 0.00 -1.01 0.00 0.00 66.70 65.42 2nmm h VAL 60 Cb 0.49 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.92 2nmm h VAL 60 CO 0.05 0.05 0.31 0.77 -1.01 0.00 0.00 177.57 177.74 2nmm h SER 61 N -0.11 1.06 -0.06 3.17 4.64 -1.07 -3.05 113.55 118.13 2nmm h SER 61 Ca -0.00 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2nmm h SER 61 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2nmm h SER 61 CO 0.00 0.94 -0.08 1.23 -0.87 0.00 0.00 176.83 178.06 2nmm h GLY 62 N 1.12 -0.03 -2.88 -0.77 0.00 -1.23 -0.35 103.07 98.93 2nmm h GLY 62 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2nmm h GLY 62 CO -0.02 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.52 2nmm n ASP 63 N -5.21 1.61 0.00 0.19 5.68 -0.76 -1.95 116.55 116.11 2nmm n ASP 63 Ca -0.05 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 2nmm n ASP 63 Cb 0.13 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 2nmm n ASP 63 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2nmm n GLN 65 N 1.35 0.00 0.27 0.11 7.27 -0.14 -2.91 117.38 123.33 2nmm n GLN 65 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.24 2nmm n GLN 65 Cb 0.19 0.00 0.68 0.00 2.41 0.00 0.00 30.24 33.51 2nmm n GLN 65 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2nmm h LYS 66 N 0.00 0.00 -0.50 3.69 1.57 -1.64 -0.75 116.57 118.94 2nmm h LYS 66 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2nmm h LYS 66 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2nmm h LYS 66 CO 0.00 0.03 0.10 1.04 -0.57 0.00 0.00 179.45 180.04 2nmm n GLN 67 N -3.14 3.32 -3.33 3.15 6.02 -1.15 -4.81 117.38 117.45 2nmm n GLN 67 Ca 0.00 -3.03 -0.16 0.00 -0.01 0.00 0.00 57.00 53.80 2nmm n GLN 67 Cb 0.31 -2.04 0.08 0.00 1.02 0.00 0.00 30.24 29.61 2nmm n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nmm n GLY 68 N -0.33 -0.86 2.89 1.08 0.00 -0.29 -3.49 105.19 104.19 2nmm n GLY 68 Ca 0.31 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 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 1.35 6.88 0.08 0.00 2.15 -1.26 -2.64 116.67 123.23 2nmm s ASP 70 Ca -0.07 1.32 0.02 0.00 0.43 0.00 0.00 52.55 54.25 2nmm s ASP 70 Cb -0.12 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2nmm s ASP 70 CO -0.06 -0.10 -0.07 0.00 -0.17 0.00 0.00 175.17 174.78 2nmm s GLU 72 N -3.09 0.51 -0.44 0.00 2.02 -0.25 -4.97 118.70 112.47 2nmm s GLU 72 Ca 0.04 -0.89 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 2nmm s GLU 72 Cb 0.00 -0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.28 2nmm s GLU 72 CO -0.03 -0.03 0.31 0.00 0.02 0.00 0.00 175.26 175.53 2nmm n LEU 74 N 5.01 0.75 0.00 0.00 4.77 -0.40 -4.95 117.00 122.18 2nmm n LEU 74 Ca -0.11 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2nmm n LEU 74 Cb 0.43 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2nmm n LEU 74 CO 0.42 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2nmm n GLY 75 N 0.12 1.24 2.06 -0.72 0.00 -1.24 -4.37 105.19 102.27 2nmm n GLY 75 Ca 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 0.61 2.03 0.00 -0.02 0.00 -0.94 -0.84 105.19 106.04 2nmm n GLY 76 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.32 1.10 3.03 -0.02 0.00 -0.17 -2.04 105.19 106.76 2nmm n GLY 77 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 4.40 0.50 -0.08 1.61 0.52 0.47 -1.36 118.95 125.01 2nmm s ARG 78 Ca 0.00 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 2nmm s ARG 78 Cb 0.00 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.11 2nmm s ARG 78 CO 0.00 0.07 -0.19 0.42 0.02 0.00 0.00 175.30 175.62 2nmm s ILE 79 N -0.94 2.56 -0.43 1.52 1.01 0.03 -1.41 121.20 123.54 2nmm s ILE 79 Ca -0.06 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2nmm s ILE 79 Cb -0.07 -2.00 0.10 0.00 0.01 0.00 0.00 42.46 40.50 2nmm s ILE 79 CO 0.00 0.56 0.26 -0.55 0.00 0.00 0.00 174.94 175.21 2nmm s SER 80 N -0.08 5.50 -0.63 3.58 0.15 -0.27 -2.12 113.70 119.83 2nmm s SER 80 Ca -0.04 -1.80 -0.14 0.00 0.70 0.00 0.00 55.95 54.67 2nmm s SER 80 Cb -0.14 -1.93 0.16 0.00 -1.71 0.00 0.00 66.02 62.40 2nmm s SER 80 CO 0.04 -0.58 0.57 -2.28 1.20 0.00 0.00 173.24 172.20 2nmm s HIS 81 N 1.30 3.45 -1.02 3.44 2.46 0.66 -1.57 115.29 124.01 2nmm s HIS 81 Ca 0.05 -1.63 -0.12 0.00 0.47 0.00 0.00 55.06 53.83 2nmm s HIS 81 Cb -0.24 -3.76 0.24 0.00 -0.13 0.00 0.00 32.58 28.69 2nmm s HIS 81 CO -0.01 -1.00 1.03 -0.65 -2.47 0.00 0.00 174.74 171.64 2nmm s GLN 82 N 1.04 3.96 0.11 2.88 -0.21 -0.34 0.44 119.66 127.55 2nmm s GLN 82 Ca 0.09 -2.82 -0.17 0.00 0.02 0.00 0.00 55.36 52.47 2nmm s GLN 82 Cb -0.23 -4.59 -0.04 0.00 1.00 0.00 0.00 33.01 29.15 2nmm s GLN 82 CO -0.02 -1.34 1.62 0.66 -2.12 0.00 0.00 175.29 174.09 2nmm h SER 83 N 7.21 0.48 0.00 5.90 4.64 -1.75 -0.84 113.55 129.18 2nmm h SER 83 Ca 0.17 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2nmm h SER 83 Cb 0.94 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2nmm h SER 83 CO 0.96 0.57 0.29 -0.61 -0.87 0.00 0.00 176.83 177.17 2nmm h GLN 84 N 0.37 0.00 0.00 4.77 4.15 -1.91 0.25 115.11 122.74 2nmm h GLN 84 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2nmm h GLN 84 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2nmm h GLN 84 CO -0.00 0.00 -0.06 -0.25 -1.93 0.00 0.00 178.83 176.59 2nmm n ASP 85 N -2.43 1.70 -3.82 -0.69 9.92 -1.10 -5.02 116.55 115.11 2nmm n ASP 85 Ca -0.01 -2.37 -0.28 0.00 -0.53 0.00 0.00 54.79 51.59 2nmm n ASP 85 Cb 0.32 -0.21 0.01 0.00 -0.64 0.00 0.00 41.12 40.61 2nmm n ASP 85 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2nmm n LYS 86 N -0.80 -2.44 -4.20 -1.24 5.02 0.88 -4.92 118.16 110.46 2nmm n LYS 86 Ca 0.07 0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 56.63 2nmm n LYS 86 Cb 0.50 -4.34 -0.15 0.00 -0.02 0.00 0.00 35.03 31.02 2nmm n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2nmm s LYS 87 N -6.28 0.50 -0.08 1.97 1.02 -0.35 -2.15 119.74 114.36 2nmm s LYS 87 Ca 0.22 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 2nmm s LYS 87 Cb -0.08 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 36.77 2nmm s LYS 87 CO 0.87 0.12 0.03 0.42 -0.92 0.00 0.00 175.35 175.88 2nmm s ILE 88 N -0.11 0.22 -0.20 2.17 1.01 -0.77 -1.19 121.20 122.32 2nmm s ILE 88 Ca 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 2nmm s ILE 88 Cb -0.03 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.98 2nmm s ILE 88 CO -0.00 0.15 -0.14 -2.28 0.00 0.00 0.00 174.94 172.66 2nmm s HIS 89 N 2.03 2.88 -0.21 3.97 2.46 -0.61 -1.88 115.29 123.93 2nmm s HIS 89 Ca 0.04 -1.52 -0.10 0.00 0.47 0.00 0.00 55.06 53.95 2nmm s HIS 89 Cb -0.13 -1.98 -0.05 0.00 -0.13 0.00 0.00 32.58 30.29 2nmm s HIS 89 CO -0.05 -0.75 0.15 0.08 -2.47 0.00 0.00 174.74 171.70 2nmm s VAL 90 N 1.33 5.39 0.00 0.89 1.01 0.57 -1.11 120.40 128.47 2nmm s VAL 90 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2nmm s VAL 90 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2nmm s VAL 90 CO -0.09 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2nmm n TYR 91 N 3.80 -0.51 -0.88 5.22 4.11 -0.50 -1.56 117.16 126.84 2nmm n TYR 91 Ca -0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.86 2nmm n TYR 91 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.83 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 0.00 -1.85 3.17 -7.48 0.00 -1.24 -0.40 105.19 97.39 2nmm n GLY 92 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 1.05 0.00 1.61 -0.85 -1.25 -4.44 117.35 111.44 2nmm s TYR 93 Ca 0.00 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 2nmm s TYR 93 Cb 0.00 -0.58 0.00 0.00 0.38 0.00 0.00 41.96 41.76 2nmm s TYR 93 CO 0.00 -0.00 0.00 0.45 -1.52 0.00 0.00 175.55 174.48 2nmm n SER 94 N 0.66 0.00 0.00 -0.18 2.88 -0.33 -4.56 113.62 112.09 2nmm n SER 94 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2nmm n SER 94 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.58 -1.46 0.00 -1.26 0.13 120.51 115.50 2nmm n ALA 96 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2nmm n ALA 96 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.17 0.00 4.01 -1.26 -5.11 117.16 113.63 2nmm n TYR 97 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 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 0.84 -2.18 3.87 2.72 0.00 0.34 -4.26 105.19 106.52 2nmm n GLY 98 Ca 0.07 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.80 3.80 0.01 1.61 0.04 -1.26 -1.19 135.00 137.20 2nmm s PRO 99 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2nmm s PRO 99 Cb 0.00 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2nmm s PRO 99 CO 0.00 -0.16 0.06 0.00 0.04 0.00 0.00 177.00 176.94 2nmm s ALA 100 N -2.54 3.51 -0.68 8.56 0.00 -1.15 -4.45 121.76 125.01 2nmm s ALA 100 Ca 0.54 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2nmm s ALA 100 Cb -0.10 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 2nmm s ALA 100 CO 0.34 0.69 2.13 -0.65 0.00 0.00 0.00 175.76 178.26 2nmm s GLN 101 N -1.78 2.28 0.00 0.00 -0.21 -1.26 -4.73 119.66 113.96 2nmm s GLN 101 Ca 0.23 0.58 0.03 0.00 0.02 0.00 0.00 55.36 56.22 2nmm s GLN 101 Cb -0.12 -4.67 0.14 0.00 1.00 0.00 0.00 33.01 29.36 2nmm s GLN 101 CO 0.14 -3.35 0.90 0.72 -2.12 0.00 0.00 175.29 171.58 2nmm n HIS 102 N 14.98 0.00 -0.11 0.91 8.25 -1.26 -1.54 115.22 136.44 2nmm n HIS 102 Ca 0.34 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.68 2nmm n HIS 102 Cb 0.50 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2nmm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nmm h ALA 103 N 2.13 0.49 -0.53 -1.41 0.00 -1.97 -0.54 119.26 117.42 2nmm h ALA 103 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2nmm h ALA 103 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2nmm h ALA 103 CO 0.00 0.47 0.07 0.82 0.00 0.00 0.00 179.25 180.61 2nmm h ILE 104 N 0.54 1.24 0.22 0.00 2.04 -1.67 -1.86 117.51 118.01 2nmm h ILE 104 Ca 0.07 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2nmm h ILE 104 Cb 0.79 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2nmm h ILE 104 CO 0.06 0.34 -0.11 0.28 0.00 0.00 0.00 178.15 178.73 2nmm h SER 105 N 0.81 -0.25 -0.26 1.72 0.02 -1.56 -2.80 113.55 111.22 2nmm h SER 105 Ca 0.17 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2nmm h SER 105 Cb 0.38 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2nmm h SER 105 CO 0.01 0.15 0.17 0.71 -1.14 0.00 0.00 176.83 176.72 2nmm h THR 106 N -0.69 1.08 -0.88 -2.27 1.35 -1.11 0.12 112.91 110.51 2nmm h THR 106 Ca -0.03 -0.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.71 2nmm h THR 106 Cb 0.48 0.69 -0.06 0.00 -1.73 0.00 0.00 68.15 67.53 2nmm h THR 106 CO 0.05 0.08 0.56 -0.08 -0.25 0.00 0.00 175.52 175.88 2nmm h GLU 107 N 0.37 1.02 0.08 4.72 4.81 -1.26 0.33 114.58 124.65 2nmm h GLU 107 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2nmm h GLU 107 Cb -0.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2nmm h GLU 107 CO -0.02 0.67 -0.04 0.87 -0.73 0.00 0.00 179.01 179.76 2nmm h LYS 108 N 1.05 -0.11 -1.01 1.92 1.79 -0.98 -3.28 116.57 115.96 2nmm h LYS 108 Ca 0.37 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 59.08 2nmm h LYS 108 Cb 0.10 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 30.65 2nmm h LYS 108 CO -0.15 0.40 0.60 0.82 -1.08 0.00 0.00 179.45 180.04 2nmm h ILE 109 N -0.92 0.58 -0.36 1.86 2.04 -0.57 0.06 117.51 120.20 2nmm h ILE 109 Ca -0.01 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2nmm h ILE 109 Cb 0.55 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2nmm h ILE 109 CO 0.02 0.11 -0.07 0.50 0.00 0.00 0.00 178.15 178.71 2nmm h LYS 110 N 0.62 0.60 -0.69 2.37 1.63 -0.46 0.11 116.57 120.76 2nmm h LYS 110 Ca 0.63 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 60.25 2nmm h LYS 110 Cb 1.15 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.68 2nmm h LYS 110 CO -0.45 0.67 0.37 0.00 -3.45 0.00 0.00 179.45 176.59 2nmm h ALA 111 N 1.37 0.88 0.00 5.00 0.00 -1.04 0.81 119.26 126.29 2nmm h ALA 111 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2nmm h ALA 111 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2nmm h ALA 111 CO 0.02 0.40 -0.72 -0.22 0.00 0.00 0.00 179.25 178.73 2nmm h LYS 112 N 0.94 0.00 -2.19 0.00 3.64 -1.34 -3.36 116.57 114.26 2nmm h LYS 112 Ca 0.24 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 59.05 2nmm h LYS 112 Cb 0.05 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.46 2nmm h LYS 112 CO -0.04 0.69 -0.76 0.66 -2.27 0.00 0.00 179.45 177.73 2nmm n TYR 113 N -3.27 2.94 -0.27 1.91 4.01 0.36 -4.94 117.16 117.90 2nmm n TYR 113 Ca 0.01 -3.98 0.01 0.00 -0.16 0.00 0.00 57.90 53.78 2nmm n TYR 113 Cb 0.82 -0.49 0.13 0.00 -0.31 0.00 0.00 39.34 39.50 2nmm n TYR 113 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2nmm h PRO 114 N 3.41 0.77 0.00 -0.72 0.11 -1.01 -1.17 132.00 133.40 2nmm h PRO 114 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2nmm h PRO 114 Cb 0.65 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2nmm h PRO 114 CO 0.74 0.51 0.00 -0.25 -0.21 0.00 0.00 178.00 178.79 2nmm n ASP 115 N -4.73 0.00 -4.88 -2.05 8.00 -1.26 -4.77 116.55 106.85 2nmm n ASP 115 Ca 0.11 -0.81 -0.34 0.00 0.71 0.00 0.00 54.79 54.46 2nmm n ASP 115 Cb 0.21 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 2nmm n ASP 115 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2nmm s TYR 116 N -2.00 3.57 -0.40 1.24 1.51 -0.44 -4.96 117.35 115.86 2nmm s TYR 116 Ca 0.39 0.60 -0.24 0.00 -1.01 0.00 0.00 57.07 56.81 2nmm s TYR 116 Cb 0.18 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.03 2nmm s TYR 116 CO 0.30 0.58 0.84 -2.00 -1.11 0.00 0.00 175.55 174.16 2nmm s GLU 117 N -1.89 3.67 -0.28 -0.62 2.12 -0.91 -4.97 118.70 115.83 2nmm s GLU 117 Ca 0.30 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 2nmm s GLU 117 Cb -0.13 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.44 2nmm s GLU 117 CO 0.18 -0.98 -0.02 0.08 -0.54 0.00 0.00 175.26 173.98 2nmm s VAL 118 N 3.33 3.07 0.30 3.70 1.01 -1.26 -1.86 120.40 128.69 2nmm s VAL 118 Ca 0.34 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2nmm s VAL 118 Cb -0.12 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2nmm s VAL 118 CO 0.20 0.06 -0.02 0.42 0.00 0.00 0.00 175.10 175.75 2nmm s THR 119 N 1.32 1.51 0.15 3.92 -4.23 -0.79 -5.02 115.64 112.51 2nmm s THR 119 Ca -0.02 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 2nmm s THR 119 Cb -0.18 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 2nmm s THR 119 CO -0.02 -0.21 0.21 -1.66 -0.54 0.00 0.00 174.62 172.41 2nmm s TRP 120 N -3.09 0.50 0.00 3.99 1.48 -1.26 -0.31 118.94 120.25 2nmm s TRP 120 Ca 0.32 -0.88 0.00 0.00 -1.06 0.00 0.00 56.10 54.48 2nmm s TRP 120 Cb 0.06 -0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.20 2nmm s TRP 120 CO 0.13 -0.65 0.00 0.00 -4.06 0.00 0.00 176.95 172.37