#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmz s GLN 2 N 0.00 2.77 -0.19 -0.52 0.74 -1.26 -5.11 119.66 116.08 2nmz s GLN 2 Ca 0.00 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.63 2nmz s GLN 2 Cb 0.00 -2.13 0.02 0.00 1.10 0.00 0.00 33.01 32.01 2nmz s GLN 2 CO 0.00 0.13 -0.17 0.42 -0.55 0.00 0.00 175.29 175.12 2nmz s ILE 3 N 0.45 2.26 0.89 -2.34 1.01 -1.26 -5.12 121.20 117.09 2nmz s ILE 3 Ca -0.17 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.40 2nmz s ILE 3 Cb -0.17 -2.00 0.13 0.00 0.01 0.00 0.00 42.46 40.42 2nmz s ILE 3 CO 0.07 0.46 1.18 0.42 0.00 0.00 0.00 174.94 177.07 2nmz s THR 4 N 1.30 1.98 -0.13 2.92 -4.23 -1.26 -5.02 115.64 111.21 2nmz s THR 4 Ca 0.04 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 2nmz s THR 4 Cb -0.14 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.08 2nmz s THR 4 CO -0.11 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.30 2nmz n LEU 5 N -3.61 2.42 0.04 4.79 4.77 -1.26 -4.61 117.00 119.54 2nmz n LEU 5 Ca 0.09 -2.90 0.03 0.00 -0.03 0.00 0.00 56.01 53.19 2nmz n LEU 5 Cb 0.60 -0.37 0.41 0.00 -2.33 0.00 0.00 43.42 41.73 2nmz n LEU 5 CO 0.55 0.68 1.06 -0.50 -1.33 0.00 0.00 177.39 177.85 2nmz h TRP 6 N 0.17 0.43 -2.24 -1.77 4.06 -2.06 -3.43 115.95 111.10 2nmz h TRP 6 Ca 0.00 -0.01 -0.56 0.00 2.06 0.00 0.00 58.89 60.38 2nmz h TRP 6 Cb 0.95 -0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 28.84 2nmz h TRP 6 CO 0.04 0.35 -0.65 0.15 -3.56 0.00 0.00 178.44 174.77 2nmz s LYS 7 N -5.23 1.74 0.26 0.49 1.02 -1.26 -5.11 119.74 111.66 2nmz s LYS 7 Ca -0.07 -1.93 -0.31 0.00 0.02 0.00 0.00 55.97 53.68 2nmz s LYS 7 Cb 0.17 -1.37 -0.13 0.00 -0.52 0.00 0.00 37.83 35.98 2nmz s LYS 7 CO 0.73 0.00 1.50 0.54 -0.92 0.00 0.00 175.35 177.20 2nmz n ARG 8 N -0.76 2.32 -2.57 1.68 1.74 -1.26 -4.84 116.66 112.97 2nmz n ARG 8 Ca -0.05 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 2nmz n ARG 8 Cb 0.65 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2nmz n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nmz n PRO 9 N 2.18 3.22 -3.42 5.56 -0.04 -1.26 -4.94 135.00 136.30 2nmz n PRO 9 Ca 0.11 -3.36 -0.38 0.00 -0.04 0.00 0.00 63.50 59.83 2nmz n PRO 9 Cb 0.34 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2nmz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nmz s LEU 10 N 3.22 4.41 0.17 1.53 1.43 -1.26 -1.26 118.68 126.92 2nmz s LEU 10 Ca 0.50 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 2nmz s LEU 10 Cb 0.04 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2nmz s LEU 10 CO 0.04 0.21 -0.01 0.68 0.23 0.00 0.00 176.35 177.50 2nmz s VAL 11 N -0.50 0.75 0.10 -1.59 -7.23 -0.18 -4.93 120.40 106.82 2nmz s VAL 11 Ca 0.25 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 2nmz s VAL 11 Cb -0.16 -2.09 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 2nmz s VAL 11 CO 0.13 -0.51 0.81 -0.89 -0.31 0.00 0.00 175.10 174.33 2nmz s THR 12 N -3.61 4.57 0.24 5.32 2.01 -1.26 -0.73 115.64 122.17 2nmz s THR 12 Ca 0.23 1.75 0.10 0.00 0.31 0.00 0.00 61.69 64.08 2nmz s THR 12 Cb 0.06 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2nmz s THR 12 CO 0.04 0.40 -0.18 0.27 -0.69 0.00 0.00 174.62 174.46 2nmz s ILE 13 N -0.38 2.16 -0.11 1.82 -4.36 0.37 -0.99 121.20 119.70 2nmz s ILE 13 Ca 0.39 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2nmz s ILE 13 Cb -0.22 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.34 2nmz s ILE 13 CO 0.25 -0.46 -0.15 -0.75 0.24 0.00 0.00 174.94 174.08 2nmz s LYS 14 N -3.49 2.20 -0.13 0.37 2.20 -0.21 -1.30 119.74 119.38 2nmz s LYS 14 Ca 0.26 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 2nmz s LYS 14 Cb -0.04 -1.91 0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2nmz s LYS 14 CO 0.11 -0.10 0.32 -1.50 -0.36 0.00 0.00 175.35 173.83 2nmz s ILE 15 N 1.09 -0.02 -1.94 5.43 2.07 -0.33 -1.40 121.20 126.10 2nmz s ILE 15 Ca -0.04 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2nmz s ILE 15 Cb -0.14 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.98 2nmz s ILE 15 CO -0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2nmz n GLY 16 N 3.56 1.23 1.84 1.50 0.00 -1.26 -1.19 105.19 110.86 2nmz n GLY 16 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2nmz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmz n GLY 17 N -0.72 0.55 3.25 -0.02 0.00 -1.26 -5.04 105.19 101.95 2nmz n GLY 17 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2nmz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nmz s GLN 18 N -0.08 1.50 -0.00 1.61 -0.21 -0.34 -5.13 119.66 117.01 2nmz s GLN 18 Ca 0.00 -0.90 -0.20 0.00 0.02 0.00 0.00 55.36 54.28 2nmz s GLN 18 Cb 0.00 -1.57 -0.05 0.00 1.00 0.00 0.00 33.01 32.38 2nmz s GLN 18 CO 0.00 0.41 0.57 -0.51 -2.12 0.00 0.00 175.29 173.64 2nmz s LEU 19 N -1.00 4.42 0.11 2.90 1.43 -1.26 -1.19 118.68 124.09 2nmz s LEU 19 Ca 0.08 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2nmz s LEU 19 Cb -0.09 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2nmz s LEU 19 CO 0.01 0.13 0.05 -0.54 0.23 0.00 0.00 176.35 176.23 2nmz s LYS 20 N -0.30 0.84 -0.14 1.70 1.02 -0.42 -4.99 119.74 117.46 2nmz s LYS 20 Ca 0.30 -1.33 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 2nmz s LYS 20 Cb -0.18 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2nmz s LYS 20 CO 0.17 -0.23 0.13 -1.21 -0.92 0.00 0.00 175.35 173.29 2nmz s GLU 21 N -3.99 3.61 0.03 1.68 0.41 -1.26 -0.47 118.70 118.70 2nmz s GLU 21 Ca 0.17 -0.16 -0.05 0.00 -0.41 0.00 0.00 54.97 54.52 2nmz s GLU 21 Cb 0.07 -3.23 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2nmz s GLU 21 CO -0.03 0.66 0.09 0.00 -0.49 0.00 0.00 175.26 175.49 2nmz s ALA 22 N -0.68 -0.08 0.02 5.21 0.00 0.09 -4.54 121.76 121.78 2nmz s ALA 22 Ca 0.13 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2nmz s ALA 22 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2nmz s ALA 22 CO 0.02 -0.29 0.79 -0.51 0.00 0.00 0.00 175.76 175.78 2nmz s LEU 23 N -1.97 4.42 -0.43 0.00 1.43 0.01 -1.01 118.68 121.13 2nmz s LEU 23 Ca -0.07 1.45 -0.28 0.00 -1.03 0.00 0.00 54.13 54.19 2nmz s LEU 23 Cb -0.03 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.95 2nmz s LEU 23 CO -0.03 -0.04 1.08 -0.76 0.23 0.00 0.00 176.35 176.83 2nmz s LEU 24 N 0.21 3.77 -0.47 1.79 1.43 -0.39 0.38 118.68 125.40 2nmz s LEU 24 Ca 0.40 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 2nmz s LEU 24 Cb -0.20 -3.49 0.13 0.00 0.03 0.00 0.00 46.19 42.66 2nmz s LEU 24 CO 0.23 -1.12 0.22 -0.62 0.23 0.00 0.00 176.35 175.29 2nmz s ASP 25 N 2.21 4.24 0.56 2.29 -1.08 -0.03 -4.78 116.67 120.08 2nmz s ASP 25 Ca 0.45 -2.77 0.34 0.00 -0.52 0.00 0.00 52.55 50.05 2nmz s ASP 25 Cb -0.09 -1.50 1.51 0.00 -1.46 0.00 0.00 42.92 41.38 2nmz s ASP 25 CO 0.26 -0.27 2.04 0.71 0.52 0.00 0.00 175.17 178.44 2nmz h THR 26 N 5.64 0.10 -0.00 1.71 1.35 -1.94 -2.16 112.91 117.61 2nmz h THR 26 Ca -0.06 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2nmz h THR 26 Cb 0.92 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2nmz h THR 26 CO 0.62 0.03 -0.03 0.61 -0.25 0.00 0.00 175.52 176.50 2nmz n GLY 27 N -0.19 -1.11 3.64 5.82 0.00 -1.26 -4.82 105.19 107.26 2nmz n GLY 27 Ca -0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2nmz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmz s ALA 28 N -2.42 3.50 0.24 4.61 0.00 -0.81 -4.97 121.76 121.90 2nmz s ALA 28 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2nmz s ALA 28 Cb 0.21 -2.12 0.28 0.00 0.00 0.00 0.00 23.12 21.49 2nmz s ALA 28 CO 0.44 -0.02 1.64 -0.44 0.00 0.00 0.00 175.76 177.38 2nmz h ASP 29 N 7.12 0.55 -2.06 0.00 3.32 -1.88 0.40 116.42 123.88 2nmz h ASP 29 Ca -0.38 -0.23 -0.59 0.00 0.02 0.00 0.00 57.03 55.86 2nmz h ASP 29 Cb 1.17 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 2nmz h ASP 29 CO 0.68 0.86 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.59 2nmz s ASP 30 N -6.84 4.05 -0.22 6.45 1.01 -1.26 -3.09 116.67 116.78 2nmz s ASP 30 Ca -0.07 -0.95 -0.09 0.00 0.71 0.00 0.00 52.55 52.15 2nmz s ASP 30 Cb 0.13 -0.52 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 2nmz s ASP 30 CO 0.81 -0.11 0.11 -0.89 0.21 0.00 0.00 175.17 175.30 2nmz s THR 31 N -2.48 4.92 -0.11 -1.27 2.01 -1.26 -3.08 115.64 114.37 2nmz s THR 31 Ca 0.32 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2nmz s THR 31 Cb -0.03 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.23 2nmz s THR 31 CO 0.18 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 2nmz s VAL 32 N 0.97 1.32 -0.04 3.82 1.01 -0.42 -0.97 120.40 126.09 2nmz s VAL 32 Ca 0.05 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2nmz s VAL 32 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2nmz s VAL 32 CO 0.03 0.41 -0.23 -0.63 0.00 0.00 0.00 175.10 174.68 2nmz s ILE 33 N 1.23 2.25 0.56 2.22 -1.09 0.61 -0.63 121.20 126.36 2nmz s ILE 33 Ca -0.02 -1.02 -0.20 0.00 -2.23 0.00 0.00 60.65 57.17 2nmz s ILE 33 Cb -0.14 -1.81 -0.06 0.00 -1.58 0.00 0.00 42.46 38.87 2nmz s ILE 33 CO -0.04 0.58 1.03 -1.84 -1.23 0.00 0.00 174.94 173.43 2nmz n GLU 34 N 2.56 1.10 -1.64 2.79 0.28 -1.26 -2.00 120.64 122.46 2nmz n GLU 34 Ca -0.17 0.41 -0.64 0.00 -0.16 0.00 0.00 57.16 56.61 2nmz n GLU 34 Cb 0.51 -2.20 -0.09 0.00 1.43 0.00 0.00 31.44 31.09 2nmz n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2nmz n GLU 35 N -0.78 0.04 -3.62 3.44 4.07 -0.80 -4.66 120.64 118.34 2nmz n GLU 35 Ca 0.12 0.01 -0.13 0.00 -0.06 0.00 0.00 57.16 57.10 2nmz n GLU 35 Cb 0.45 -1.52 -0.06 0.00 -0.06 0.00 0.00 31.44 30.26 2nmz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nmz s MET 36 N 1.71 0.98 -1.27 5.31 0.23 -1.26 -5.01 119.30 120.00 2nmz s MET 36 Ca 0.99 -0.28 -0.08 0.00 -1.03 0.00 0.00 55.69 55.29 2nmz s MET 36 Cb -1.39 0.44 0.17 0.00 -1.53 0.00 0.00 34.83 32.53 2nmz s MET 36 CO 0.71 -0.34 1.95 0.43 -2.03 0.00 0.00 175.02 175.74 2nmz n SER 37 N 0.47 5.91 -4.77 -1.18 7.64 -1.26 -4.98 113.62 115.46 2nmz n SER 37 Ca -0.18 -3.16 -0.40 0.00 1.01 0.00 0.00 58.87 56.14 2nmz n SER 37 Cb 0.60 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 2nmz n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nmz s LEU 38 N -0.92 4.36 0.58 -3.43 1.43 -1.26 -5.02 118.68 114.42 2nmz s LEU 38 Ca 0.42 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 2nmz s LEU 38 Cb 0.11 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 2nmz s LEU 38 CO -0.01 -0.55 1.00 -2.16 0.23 0.00 0.00 176.35 174.87 2nmz s PRO 39 N -1.92 3.68 0.19 1.29 0.04 -1.26 -4.99 135.00 132.03 2nmz s PRO 39 Ca 0.51 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2nmz s PRO 39 Cb -0.36 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2nmz s PRO 39 CO 0.47 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2nmz n GLY 40 N -2.42 -2.61 3.80 0.56 0.00 -1.26 -4.98 105.19 98.28 2nmz n GLY 40 Ca 0.06 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2nmz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nmz s ARG 41 N -0.42 3.32 0.20 1.61 0.52 -1.26 -5.06 118.95 117.86 2nmz s ARG 41 Ca 0.00 1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 56.30 2nmz s ARG 41 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2nmz s ARG 41 CO 0.00 -0.81 0.40 1.67 0.02 0.00 0.00 175.30 176.58 2nmz s TRP 42 N -2.45 0.29 -0.04 -0.53 1.48 -1.26 -4.71 118.94 111.72 2nmz s TRP 42 Ca 0.64 -0.64 0.05 0.00 -1.06 0.00 0.00 56.10 55.09 2nmz s TRP 42 Cb -0.16 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.25 2nmz s TRP 42 CO 0.37 -0.85 -0.21 0.21 -4.06 0.00 0.00 176.95 172.41 2nmz s LYS 43 N -3.97 2.00 0.42 3.25 2.20 -0.44 -4.90 119.74 118.31 2nmz s LYS 43 Ca 0.18 -0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.79 2nmz s LYS 43 Cb 0.01 -1.77 -0.09 0.00 -1.51 0.00 0.00 37.83 34.48 2nmz s LYS 43 CO 0.03 0.34 1.36 -2.14 -0.36 0.00 0.00 175.35 174.58 2nmz s PRO 44 N -0.16 3.89 0.02 4.03 0.02 -1.26 -0.77 135.00 140.76 2nmz s PRO 44 Ca -0.01 2.29 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 2nmz s PRO 44 Cb -0.11 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.68 2nmz s PRO 44 CO 0.02 -0.61 0.27 0.21 -0.33 0.00 0.00 177.00 176.56 2nmz s LYS 45 N -2.29 0.70 -0.07 5.54 2.20 -0.77 -4.86 119.74 120.19 2nmz s LYS 45 Ca 0.58 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2nmz s LYS 45 Cb -0.41 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 2nmz s LYS 45 CO 0.53 -0.20 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.45 2nmz s MET 46 N -1.98 2.51 0.10 4.03 -1.94 -1.26 -1.18 119.30 119.58 2nmz s MET 46 Ca -0.09 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 53.13 2nmz s MET 46 Cb -0.03 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 2nmz s MET 46 CO -0.00 0.29 -0.18 0.96 -0.01 0.00 0.00 175.02 176.08 2nmz s ILE 47 N 0.04 1.52 -0.17 2.53 -4.36 -0.57 -4.96 121.20 115.23 2nmz s ILE 47 Ca -0.08 -1.53 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 2nmz s ILE 47 Cb -0.15 -1.45 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 2nmz s ILE 47 CO 0.05 -0.16 -0.03 -0.83 0.24 0.00 0.00 174.94 174.21 2nmz s GLY 48 N -1.98 1.70 0.00 6.27 0.00 -1.26 -0.83 107.32 111.22 2nmz s GLY 48 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2nmz s GLY 48 CO 0.04 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.82 2nmz n GLY 49 N 3.89 5.11 0.26 0.20 0.00 0.45 -4.99 105.19 110.10 2nmz n GLY 49 Ca -0.17 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.77 2nmz n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nmz h ILE 50 N 0.60 1.04 -0.02 -0.61 1.08 -2.03 -3.07 117.51 114.50 2nmz h ILE 50 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2nmz h ILE 50 Cb 0.00 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2nmz h ILE 50 CO 0.00 0.04 -0.27 0.61 -0.69 0.00 0.00 178.15 177.85 2nmz n GLY 51 N -1.43 0.26 0.00 5.37 0.00 -1.26 -5.08 105.19 103.05 2nmz n GLY 51 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2nmz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmz n GLY 52 N 1.27 0.80 3.71 -0.02 0.00 -1.16 -5.12 105.19 104.66 2nmz n GLY 52 Ca 0.10 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 2nmz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nmz s PHE 53 N -2.37 2.98 0.15 1.61 0.40 -1.26 -0.41 117.98 119.08 2nmz s PHE 53 Ca 0.00 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 2nmz s PHE 53 Cb 0.00 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2nmz s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 2nmz s ILE 54 N -1.59 1.57 -0.07 0.64 -4.36 -0.01 -4.96 121.20 112.42 2nmz s ILE 54 Ca 0.28 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.60 2nmz s ILE 54 Cb -0.10 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 2nmz s ILE 54 CO 0.20 -0.40 0.61 -0.54 0.24 0.00 0.00 174.94 175.05 2nmz s LYS 55 N -2.84 4.38 0.14 0.37 1.02 -1.26 -1.51 119.74 120.04 2nmz s LYS 55 Ca 0.13 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.85 2nmz s LYS 55 Cb -0.05 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2nmz s LYS 55 CO 0.05 0.16 0.00 0.14 -0.92 0.00 0.00 175.35 174.78 2nmz s VAL 56 N 0.53 0.51 -0.22 3.17 -7.23 -0.33 -4.36 120.40 112.47 2nmz s VAL 56 Ca 0.33 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 2nmz s VAL 56 Cb -0.17 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2nmz s VAL 56 CO 0.16 -0.58 0.10 -0.13 -0.31 0.00 0.00 175.10 174.34 2nmz s ARG 57 N -3.93 3.92 -0.29 4.82 0.52 0.22 -1.85 118.95 122.36 2nmz s ARG 57 Ca 0.21 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.89 2nmz s ARG 57 Cb 0.06 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2nmz s ARG 57 CO 0.01 0.07 0.51 -1.14 0.02 0.00 0.00 175.30 174.77 2nmz s GLN 58 N 0.97 3.91 -0.15 3.54 0.74 0.05 -0.89 119.66 127.83 2nmz s GLN 58 Ca 0.05 0.14 -0.02 0.00 0.05 0.00 0.00 55.36 55.58 2nmz s GLN 58 Cb -0.14 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2nmz s GLN 58 CO 0.03 -0.45 -0.07 0.71 -0.55 0.00 0.00 175.29 174.96 2nmz s TYR 59 N 2.34 2.94 0.16 1.67 1.51 -0.22 -1.32 117.35 124.43 2nmz s TYR 59 Ca 0.20 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2nmz s TYR 59 Cb -0.15 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2nmz s TYR 59 CO 0.11 -0.15 0.27 -0.51 -1.11 0.00 0.00 175.55 174.15 2nmz s ASP 60 N 0.48 6.22 -1.40 2.29 -0.00 -1.26 -1.01 116.67 121.99 2nmz s ASP 60 Ca -0.06 0.12 -0.06 0.00 -0.00 0.00 0.00 52.55 52.56 2nmz s ASP 60 Cb -0.15 -1.84 0.03 0.00 -0.00 0.00 0.00 42.92 40.96 2nmz s ASP 60 CO 0.03 0.05 0.85 0.00 -0.00 0.00 0.00 175.17 176.10 2nmz n GLN 61 N -0.57 -5.43 -3.19 8.23 1.13 -1.12 -4.91 117.38 111.51 2nmz n GLN 61 Ca -0.07 0.63 -0.39 0.00 -1.94 0.00 0.00 57.00 55.23 2nmz n GLN 61 Cb 0.54 -5.37 -0.06 0.00 0.11 0.00 0.00 30.24 25.46 2nmz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2nmz s ILE 62 N -3.49 5.11 0.02 5.09 -1.09 0.04 -4.76 121.20 122.12 2nmz s ILE 62 Ca 0.30 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 2nmz s ILE 62 Cb -0.15 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 2nmz s ILE 62 CO 0.81 0.24 1.27 -0.63 -1.23 0.00 0.00 174.94 175.40 2nmz s ILE 63 N 1.05 3.94 -0.21 2.92 1.01 -1.26 -1.43 121.20 127.22 2nmz s ILE 63 Ca 0.29 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 2nmz s ILE 63 Cb -0.16 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.53 2nmz s ILE 63 CO 0.12 0.05 0.45 -0.51 0.00 0.00 0.00 174.94 175.06 2nmz s ILE 64 N 1.69 -0.56 -0.16 2.92 2.07 -0.62 -4.36 121.20 122.18 2nmz s ILE 64 Ca 0.60 0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 59.85 2nmz s ILE 64 Cb -0.29 -0.70 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 2nmz s ILE 64 CO 0.27 0.06 0.21 -0.70 -1.91 0.00 0.00 174.94 172.87 2nmz s GLU 65 N 2.41 4.12 -0.24 3.50 2.12 -0.49 -1.55 118.70 128.56 2nmz s GLU 65 Ca -0.04 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.26 2nmz s GLU 65 Cb -0.11 -3.39 0.06 0.00 0.26 0.00 0.00 34.13 30.95 2nmz s GLU 65 CO -0.14 0.35 -0.05 0.42 -0.54 0.00 0.00 175.26 175.30 2nmz s ILE 66 N 0.18 1.60 -1.55 -3.70 1.01 0.44 -1.05 121.20 118.14 2nmz s ILE 66 Ca 0.13 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.36 2nmz s ILE 66 Cb -0.12 -1.86 0.09 0.00 0.01 0.00 0.00 42.46 40.58 2nmz s ILE 66 CO 0.02 -0.11 0.90 0.00 0.00 0.00 0.00 174.94 175.75 2nmz n ALA 67 N 4.64 -1.36 -0.63 9.38 0.00 -0.16 -0.83 120.51 131.54 2nmz n ALA 67 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2nmz n ALA 67 Cb 0.44 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.89 2nmz n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nmz n GLY 68 N -1.64 1.32 3.59 0.00 0.00 -1.26 -5.03 105.19 102.17 2nmz n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2nmz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nmz s HIS 69 N -3.47 3.20 0.42 1.61 4.02 -0.01 -5.09 115.29 115.96 2nmz s HIS 69 Ca 0.00 -0.04 -0.23 0.00 1.02 0.00 0.00 55.06 55.81 2nmz s HIS 69 Cb 0.00 -2.09 -0.09 0.00 -1.02 0.00 0.00 32.58 29.38 2nmz s HIS 69 CO 0.00 0.05 1.04 0.15 1.02 0.00 0.00 174.74 177.00 2nmz s LYS 70 N 0.58 4.07 0.15 1.40 1.02 -1.26 -0.42 119.74 125.28 2nmz s LYS 70 Ca 0.03 1.44 -0.14 0.00 0.02 0.00 0.00 55.97 57.32 2nmz s LYS 70 Cb -0.13 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2nmz s LYS 70 CO 0.01 -0.21 0.39 0.00 -0.92 0.00 0.00 175.35 174.62 2nmz s ALA 71 N -1.78 -0.64 -0.15 5.17 0.00 -0.59 -4.78 121.76 118.99 2nmz s ALA 71 Ca 0.61 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 2nmz s ALA 71 Cb -0.20 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.73 2nmz s ALA 71 CO 0.24 -0.68 0.35 -1.50 0.00 0.00 0.00 175.76 174.18 2nmz s ILE 72 N -3.87 -0.04 -0.79 0.00 2.07 -1.26 -1.59 121.20 115.72 2nmz s ILE 72 Ca 0.08 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2nmz s ILE 72 Cb 0.02 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2nmz s ILE 72 CO -0.06 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2nmz n GLY 73 N 4.28 -0.60 3.73 1.50 0.00 -0.51 -4.88 105.19 108.71 2nmz n GLY 73 Ca -0.24 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 2nmz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nmz s THR 74 N -3.00 4.72 -0.04 2.61 2.01 -1.26 -0.78 115.64 119.90 2nmz s THR 74 Ca 0.00 1.79 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2nmz s THR 74 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2nmz s THR 74 CO 0.00 0.31 -0.14 0.68 -0.69 0.00 0.00 174.62 174.78 2nmz s VAL 75 N 0.18 1.23 -0.19 3.82 -7.23 -0.18 -4.48 120.40 113.55 2nmz s VAL 75 Ca 0.42 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2nmz s VAL 75 Cb -0.21 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2nmz s VAL 75 CO 0.25 0.36 0.07 -0.76 -0.31 0.00 0.00 175.10 174.72 2nmz s LEU 76 N 0.17 3.87 -0.10 1.32 1.43 -0.15 -1.05 118.68 124.17 2nmz s LEU 76 Ca -0.05 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2nmz s LEU 76 Cb -0.11 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2nmz s LEU 76 CO 0.02 0.17 -0.21 -0.69 0.23 0.00 0.00 176.35 175.87 2nmz s VAL 77 N 0.38 2.35 -1.45 -1.59 1.01 -0.07 -0.28 120.40 120.75 2nmz s VAL 77 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2nmz s VAL 77 Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2nmz s VAL 77 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2nmz n GLY 78 N 3.33 -0.95 2.08 4.51 0.00 -0.85 -0.61 105.19 112.70 2nmz n GLY 78 Ca -0.18 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 2nmz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nmz n PRO 79 N 0.00 1.50 -2.09 1.61 -0.04 -1.26 -1.90 135.00 132.82 2nmz n PRO 79 Ca 0.00 -0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 62.34 2nmz n PRO 79 Cb 0.00 -1.84 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 2nmz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nmz s THR 80 N 1.38 2.69 -1.44 0.52 -1.32 -1.26 -4.89 115.64 111.31 2nmz s THR 80 Ca 0.48 0.61 0.13 0.00 -1.21 0.00 0.00 61.69 61.70 2nmz s THR 80 Cb 0.23 -3.35 0.23 0.00 -1.51 0.00 0.00 72.50 68.10 2nmz s THR 80 CO 0.00 0.08 1.34 -2.65 -2.21 0.00 0.00 174.62 171.18 2nmz n PRO 81 N 0.09 0.19 -3.52 7.08 -0.02 -1.26 -4.73 135.00 132.83 2nmz n PRO 81 Ca 0.04 0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.52 2nmz n PRO 81 Cb 0.44 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.37 2nmz n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nmz s ALA 82 N -2.56 -1.78 -0.07 3.55 0.00 -1.26 -5.12 121.76 114.52 2nmz s ALA 82 Ca 0.13 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 2nmz s ALA 82 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2nmz s ALA 82 CO 0.20 -0.41 1.28 -0.80 0.00 0.00 0.00 175.76 176.03 2nmz s ASN 83 N -1.36 6.96 -0.08 0.00 0.01 -1.26 -4.64 114.94 114.58 2nmz s ASN 83 Ca -0.08 1.88 0.02 0.00 -0.71 0.00 0.00 52.86 53.97 2nmz s ASN 83 Cb -0.00 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.12 2nmz s ASN 83 CO 0.06 -0.67 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.23 2nmz s ILE 84 N 2.61 1.20 -0.40 0.60 -1.09 0.20 -0.81 121.20 123.51 2nmz s ILE 84 Ca 0.58 -0.49 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 2nmz s ILE 84 Cb -0.26 -1.11 0.01 0.00 -1.58 0.00 0.00 42.46 39.52 2nmz s ILE 84 CO 0.22 0.38 0.40 -0.63 -1.23 0.00 0.00 174.94 174.08 2nmz s ILE 85 N 0.85 5.12 0.32 2.92 -1.09 0.16 -1.29 121.20 128.19 2nmz s ILE 85 Ca -0.11 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2nmz s ILE 85 Cb -0.15 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2nmz s ILE 85 CO 0.01 -0.34 0.44 0.61 -1.23 0.00 0.00 174.94 174.44 2nmz n GLY 86 N 5.08 1.41 0.24 6.18 0.00 -1.18 -0.86 105.19 116.07 2nmz n GLY 86 Ca -0.08 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.93 2nmz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nmz h ARG 87 N 0.00 0.00 -0.36 1.61 3.08 -0.97 -0.72 114.38 117.03 2nmz h ARG 87 Ca -0.15 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.99 2nmz h ARG 87 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2nmz h ARG 87 CO 0.19 0.19 0.25 -2.95 -1.07 0.00 0.00 179.97 176.58 2nmz h ASN 88 N 0.00 0.08 0.00 7.04 -1.07 -1.80 -2.19 115.58 117.63 2nmz h ASN 88 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.08 2nmz h ASN 88 Cb 0.41 -0.02 -0.05 0.00 -2.07 0.00 0.00 38.32 36.59 2nmz h ASN 88 CO 0.02 0.05 -2.12 0.18 0.07 0.00 0.00 177.43 175.64 2nmz n LEU 89 N -4.45 0.00 -0.15 6.14 4.77 -0.68 -4.39 117.00 118.23 2nmz n LEU 89 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2nmz n LEU 89 Cb 0.37 0.39 0.33 0.00 -2.33 0.00 0.00 43.42 42.18 2nmz n LEU 89 CO 0.35 0.39 1.21 -0.07 -1.33 0.00 0.00 177.39 177.95 2nmz h LEU 90 N 0.00 0.69 -1.30 2.23 3.38 -0.99 -0.88 115.31 118.45 2nmz h LEU 90 Ca -0.43 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2nmz h LEU 90 Cb 1.96 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2nmz h LEU 90 CO 0.02 0.48 -0.04 0.71 0.09 0.00 0.00 178.44 179.70 2nmz h THR 91 N 0.80 1.19 0.00 0.22 1.35 -1.62 -2.06 112.91 112.80 2nmz h THR 91 Ca 0.26 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 65.28 2nmz h THR 91 Cb 0.06 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 2nmz h THR 91 CO -0.07 0.26 -0.35 1.56 -0.25 0.00 0.00 175.52 176.66 2nmz h GLN 92 N 0.40 0.00 -0.39 4.72 4.20 -1.37 -2.67 115.11 120.00 2nmz h GLN 92 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2nmz h GLN 92 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2nmz h GLN 92 CO 0.01 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.97 2nmz n ILE 93 N -3.63 0.51 -2.28 2.54 -5.35 -1.07 -4.96 119.36 105.13 2nmz n ILE 93 Ca -0.01 -0.71 -0.06 0.00 -0.27 0.00 0.00 62.75 61.71 2nmz n ILE 93 Cb 0.47 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 2nmz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nmz n GLY 94 N 1.46 0.24 3.77 3.28 0.00 -1.01 -5.01 105.19 107.92 2nmz n GLY 94 Ca 0.19 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2nmz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmz s ALA 95 N -2.49 3.27 0.10 4.61 0.00 -0.80 -5.05 121.76 121.41 2nmz s ALA 95 Ca 0.04 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2nmz s ALA 95 Cb -0.02 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2nmz s ALA 95 CO 0.05 0.13 -0.09 0.95 0.00 0.00 0.00 175.76 176.80 2nmz s THR 96 N -1.42 0.89 -0.16 0.00 -4.23 -1.26 -4.75 115.64 104.72 2nmz s THR 96 Ca 0.47 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.12 2nmz s THR 96 Cb -0.23 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2nmz s THR 96 CO 0.29 -0.69 0.06 -0.22 -0.54 0.00 0.00 174.62 173.52 2nmz s LEU 97 N -2.74 3.85 -0.03 4.79 2.96 -1.26 -5.10 118.68 121.16 2nmz s LEU 97 Ca 0.09 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2nmz s LEU 97 Cb 0.00 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2nmz s LEU 97 CO -0.01 0.25 -0.06 0.20 -1.32 0.00 0.00 176.35 175.40 2nmz s ASN 98 N -0.07 0.97 0.00 3.68 -0.87 -1.26 -5.29 114.94 112.10 2nmz s ASN 98 Ca 0.07 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2nmz s ASN 98 Cb -0.12 -0.32 0.00 0.00 -0.02 0.00 0.00 41.25 40.79 2nmz s ASN 98 CO 0.01 0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.78