#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmy s GLN 2 N 0.00 3.39 -0.24 0.54 0.74 -1.26 -5.11 119.66 117.72 2nmy s GLN 2 Ca 0.00 -0.63 -0.06 0.00 0.05 0.00 0.00 55.36 54.72 2nmy s GLN 2 Cb 0.00 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 2nmy s GLN 2 CO 0.00 -0.14 0.04 0.42 -0.55 0.00 0.00 175.29 175.06 2nmy s ILE 3 N 1.32 4.11 0.75 -2.34 1.01 -1.26 -5.11 121.20 119.68 2nmy s ILE 3 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2nmy s ILE 3 Cb -0.14 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.48 2nmy s ILE 3 CO -0.02 0.37 1.11 0.42 0.00 0.00 0.00 174.94 176.81 2nmy s THR 4 N 1.51 2.47 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.87 2nmy s THR 4 Ca 0.06 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 60.76 2nmy s THR 4 Cb -0.15 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.84 2nmy s THR 4 CO 0.02 -0.16 1.16 0.18 -0.54 0.00 0.00 174.62 175.29 2nmy n LEU 5 N -3.12 2.51 0.06 4.79 4.77 -1.26 -4.65 117.00 120.09 2nmy n LEU 5 Ca 0.08 -2.84 0.04 0.00 -0.03 0.00 0.00 56.01 53.25 2nmy n LEU 5 Cb 0.60 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.76 2nmy n LEU 5 CO 0.56 0.67 1.07 -0.50 -1.33 0.00 0.00 177.39 177.85 2nmy h TRP 6 N 0.32 0.40 -2.42 -1.77 4.06 -2.06 -3.44 115.95 111.03 2nmy h TRP 6 Ca 0.00 -0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.41 2nmy h TRP 6 Cb 0.96 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.85 2nmy h TRP 6 CO 0.08 0.32 -0.62 0.15 -3.56 0.00 0.00 178.44 174.81 2nmy s LYS 7 N -5.22 1.73 0.18 0.49 -0.14 -1.26 -5.12 119.74 110.39 2nmy s LYS 7 Ca -0.07 -1.95 -0.33 0.00 -1.36 0.00 0.00 55.97 52.26 2nmy s LYS 7 Cb 0.17 -1.18 -0.14 0.00 -1.68 0.00 0.00 37.83 35.00 2nmy s LYS 7 CO 0.73 -0.09 1.57 0.54 -0.76 0.00 0.00 175.35 177.33 2nmy n ARG 8 N -0.76 2.20 -2.61 1.68 1.74 -1.26 -4.89 116.66 112.76 2nmy n ARG 8 Ca -0.04 0.79 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 2nmy n ARG 8 Cb 0.66 -2.55 -0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2nmy n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2nmy s PRO 9 N 0.72 3.97 -0.04 5.56 0.04 -1.26 -4.97 135.00 139.01 2nmy s PRO 9 Ca 0.77 -1.98 -0.15 0.00 0.04 0.00 0.00 61.00 59.68 2nmy s PRO 9 Cb -0.66 -5.49 -0.05 0.00 0.04 0.00 0.00 34.50 28.34 2nmy s PRO 9 CO 0.39 -2.22 0.41 -0.51 0.04 0.00 0.00 177.00 175.11 2nmy s LEU 10 N 4.07 4.42 0.12 -3.56 1.43 -1.26 -1.37 118.68 122.53 2nmy s LEU 10 Ca 0.52 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2nmy s LEU 10 Cb 0.03 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2nmy s LEU 10 CO 0.06 0.24 -0.02 0.68 0.23 0.00 0.00 176.35 177.54 2nmy s VAL 11 N -0.61 0.53 0.04 -1.59 -7.23 -0.48 -4.97 120.40 106.09 2nmy s VAL 11 Ca 0.23 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 2nmy s VAL 11 Cb -0.16 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2nmy s VAL 11 CO 0.12 -0.69 0.80 -0.89 -0.31 0.00 0.00 175.10 174.12 2nmy s THR 12 N -3.74 4.73 0.23 5.32 2.01 -1.26 -1.39 115.64 121.54 2nmy s THR 12 Ca 0.17 1.70 0.11 0.00 0.31 0.00 0.00 61.69 63.98 2nmy s THR 12 Cb 0.06 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2nmy s THR 12 CO -0.02 0.34 -0.20 0.27 -0.69 0.00 0.00 174.62 174.33 2nmy s ILE 13 N 0.05 2.26 -0.14 1.82 -4.36 -0.01 -1.70 121.20 119.12 2nmy s ILE 13 Ca 0.40 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 2nmy s ILE 13 Cb -0.21 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2nmy s ILE 13 CO 0.24 -0.35 -0.19 -0.75 0.24 0.00 0.00 174.94 174.13 2nmy s LYS 14 N -3.23 2.73 -0.10 0.37 2.20 -0.41 -1.54 119.74 119.76 2nmy s LYS 14 Ca 0.25 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 55.07 2nmy s LYS 14 Cb -0.05 -2.30 0.04 0.00 -1.51 0.00 0.00 37.83 34.01 2nmy s LYS 14 CO 0.12 -0.11 0.23 -1.50 -0.36 0.00 0.00 175.35 173.73 2nmy s ILE 15 N 1.08 -0.04 -1.85 5.43 2.07 -0.69 -1.52 121.20 125.68 2nmy s ILE 15 Ca -0.02 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 2nmy s ILE 15 Cb -0.14 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.09 2nmy s ILE 15 CO -0.06 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2nmy n GLY 16 N 4.14 -0.02 3.00 1.50 0.00 -1.26 -1.00 105.19 111.56 2nmy n GLY 16 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2nmy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmy n GLY 17 N -0.91 1.21 3.62 -0.02 0.00 -1.26 -5.04 105.19 102.80 2nmy n GLY 17 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2nmy n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nmy s GLN 18 N -0.00 2.90 -0.06 1.61 -0.21 -0.17 -5.12 119.66 118.61 2nmy s GLN 18 Ca 0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 2nmy s GLN 18 Cb 0.00 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 2nmy s GLN 18 CO 0.00 0.66 0.54 -0.51 -2.12 0.00 0.00 175.29 173.86 2nmy s LEU 19 N -0.78 4.34 0.12 2.90 1.43 -1.26 -1.70 118.68 123.73 2nmy s LEU 19 Ca 0.12 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2nmy s LEU 19 Cb -0.11 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 2nmy s LEU 19 CO 0.02 0.04 0.01 -0.54 0.23 0.00 0.00 176.35 176.11 2nmy s LYS 20 N 0.25 0.87 -0.13 1.70 1.02 -0.59 -5.01 119.74 117.85 2nmy s LYS 20 Ca 0.29 -1.39 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 2nmy s LYS 20 Cb -0.17 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 2nmy s LYS 20 CO 0.14 -0.18 0.15 -1.21 -0.92 0.00 0.00 175.35 173.33 2nmy s GLU 21 N -3.97 3.59 0.04 1.68 0.41 -1.26 -0.83 118.70 118.35 2nmy s GLU 21 Ca 0.19 -0.12 -0.07 0.00 -0.41 0.00 0.00 54.97 54.55 2nmy s GLU 21 Cb 0.07 -3.23 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2nmy s GLU 21 CO -0.01 0.69 0.15 0.00 -0.49 0.00 0.00 175.26 175.60 2nmy s ALA 22 N -0.79 -0.19 -0.17 5.21 0.00 -0.48 -4.62 121.76 120.71 2nmy s ALA 22 Ca 0.14 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 2nmy s ALA 22 Cb -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2nmy s ALA 22 CO 0.03 -0.36 0.49 -1.17 0.00 0.00 0.00 175.76 174.75 2nmy s LEU 23 N -2.22 4.20 -0.41 0.00 2.96 -0.62 -1.38 118.68 121.21 2nmy s LEU 23 Ca -0.04 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 2nmy s LEU 23 Cb -0.00 -2.68 0.02 0.00 0.50 0.00 0.00 46.19 44.02 2nmy s LEU 23 CO -0.05 -0.10 1.26 -0.76 -1.32 0.00 0.00 176.35 175.39 2nmy s LEU 24 N 1.19 3.68 -0.43 -0.68 1.43 -0.47 -0.90 118.68 122.49 2nmy s LEU 24 Ca 0.24 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2nmy s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2nmy s LEU 24 CO 0.10 -1.26 0.20 -0.62 0.23 0.00 0.00 176.35 174.99 2nmy s ASP 25 N 3.01 4.08 0.55 2.29 -1.08 -0.52 -4.81 116.67 120.20 2nmy s ASP 25 Ca 0.54 -2.55 0.33 0.00 -0.52 0.00 0.00 52.55 50.36 2nmy s ASP 25 Cb -0.12 -1.29 1.57 0.00 -1.46 0.00 0.00 42.92 41.62 2nmy s ASP 25 CO 0.29 -0.29 2.08 0.71 0.52 0.00 0.00 175.17 178.48 2nmy h THR 26 N 5.70 0.24 -0.03 1.71 1.35 -1.94 -2.64 112.91 117.29 2nmy h THR 26 Ca -0.05 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2nmy h THR 26 Cb 0.94 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2nmy h THR 26 CO 0.55 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2nmy n GLY 27 N -0.40 -0.54 3.54 5.82 0.00 -1.26 -4.84 105.19 107.51 2nmy n GLY 27 Ca -0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2nmy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmy s ALA 28 N -1.97 3.13 0.26 4.61 0.00 -0.99 -5.01 121.76 121.79 2nmy s ALA 28 Ca 0.39 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 2nmy s ALA 28 Cb 0.19 -1.69 0.33 0.00 0.00 0.00 0.00 23.12 21.95 2nmy s ALA 28 CO 0.31 0.17 1.74 -0.44 0.00 0.00 0.00 175.76 177.54 2nmy h ASP 29 N 6.78 0.73 -2.45 0.00 3.32 -1.88 -0.67 116.42 122.25 2nmy h ASP 29 Ca -0.33 -0.19 -0.57 0.00 0.02 0.00 0.00 57.03 55.95 2nmy h ASP 29 Cb 1.18 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2nmy h ASP 29 CO 0.65 0.83 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.44 2nmy s ASP 30 N -6.68 3.35 -0.24 6.45 1.01 -1.26 -3.19 116.67 116.11 2nmy s ASP 30 Ca -0.09 -1.03 -0.14 0.00 0.71 0.00 0.00 52.55 52.01 2nmy s ASP 30 Cb 0.14 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 2nmy s ASP 30 CO 0.81 -0.01 0.30 -0.89 0.21 0.00 0.00 175.17 175.59 2nmy s THR 31 N -2.62 5.25 -0.08 -1.27 2.01 -1.26 -3.30 115.64 114.37 2nmy s THR 31 Ca 0.28 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2nmy s THR 31 Cb -0.04 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.86 2nmy s THR 31 CO 0.13 0.26 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.56 2nmy s VAL 32 N 1.46 0.86 0.05 3.82 1.01 -0.76 -1.45 120.40 125.40 2nmy s VAL 32 Ca 0.13 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2nmy s VAL 32 Cb -0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2nmy s VAL 32 CO 0.08 0.32 -0.24 -0.63 0.00 0.00 0.00 175.10 174.63 2nmy s ILE 33 N 1.33 1.92 1.00 2.22 -1.09 -0.13 -1.35 121.20 125.11 2nmy s ILE 33 Ca -0.03 -1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 56.93 2nmy s ILE 33 Cb -0.14 -1.67 0.18 0.00 -1.58 0.00 0.00 42.46 39.25 2nmy s ILE 33 CO -0.03 0.25 1.02 -0.62 -1.23 0.00 0.00 174.94 174.33 2nmy n GLU 34 N 1.70 -1.01 -1.64 2.79 1.02 -1.26 -1.98 120.64 120.26 2nmy n GLU 34 Ca -0.17 -0.24 -0.49 0.00 -0.02 0.00 0.00 57.16 56.23 2nmy n GLU 34 Cb 0.53 -2.26 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 2nmy n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2nmy n GLU 35 N -4.19 1.65 -3.54 3.49 -0.58 -1.24 -4.63 120.64 111.61 2nmy n GLU 35 Ca 0.09 0.60 -0.10 0.00 -0.42 0.00 0.00 57.16 57.33 2nmy n GLU 35 Cb 0.53 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.07 2nmy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nmy s MET 36 N 1.02 1.22 0.11 3.49 0.23 -1.26 -5.06 119.30 119.06 2nmy s MET 36 Ca 0.83 -0.52 -0.25 0.00 -1.03 0.00 0.00 55.69 54.73 2nmy s MET 36 Cb -0.82 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 32.93 2nmy s MET 36 CO 0.44 -0.54 0.75 -1.12 -2.03 0.00 0.00 175.02 172.52 2nmy s SER 37 N -2.72 7.29 0.11 -1.18 0.01 -1.26 -5.04 113.70 110.91 2nmy s SER 37 Ca 0.05 1.53 0.06 0.00 1.31 0.00 0.00 55.95 58.89 2nmy s SER 37 Cb -0.02 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2nmy s SER 37 CO -0.08 0.14 -0.15 -0.76 0.41 0.00 0.00 173.24 172.80 2nmy s LEU 38 N -0.69 2.37 0.58 2.44 1.43 -1.26 -4.94 118.68 118.61 2nmy s LEU 38 Ca 0.36 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2nmy s LEU 38 Cb -0.22 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 2nmy s LEU 38 CO 0.24 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.57 2nmy s PRO 39 N -2.45 3.60 0.54 1.29 0.04 -1.26 -4.97 135.00 131.80 2nmy s PRO 39 Ca 0.07 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2nmy s PRO 39 Cb -0.06 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2nmy s PRO 39 CO 0.03 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2nmy n GLY 40 N -1.78 -1.85 3.89 0.56 0.00 -1.26 -4.99 105.19 99.76 2nmy n GLY 40 Ca 0.07 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 2nmy n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nmy s ARG 41 N 0.00 3.61 0.14 1.61 1.81 -1.26 -5.09 118.95 119.77 2nmy s ARG 41 Ca 0.00 0.49 -0.02 0.00 -1.72 0.00 0.00 55.73 54.48 2nmy s ARG 41 Cb 0.00 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.22 2nmy s ARG 41 CO 0.00 -0.35 0.09 1.67 -0.68 0.00 0.00 175.30 176.03 2nmy s TRP 42 N -2.89 0.83 0.03 -0.53 1.48 -1.26 -4.50 118.94 112.10 2nmy s TRP 42 Ca 0.51 -1.19 -0.01 0.00 -1.06 0.00 0.00 56.10 54.35 2nmy s TRP 42 Cb -0.11 -0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 31.74 2nmy s TRP 42 CO 0.47 -0.55 -0.01 -1.59 -4.06 0.00 0.00 176.95 171.20 2nmy s LYS 43 N -4.05 0.41 0.54 3.25 -2.85 -0.96 -4.94 119.74 111.13 2nmy s LYS 43 Ca 0.25 -0.76 -0.18 0.00 -1.00 0.00 0.00 55.97 54.27 2nmy s LYS 43 Cb 0.07 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 2nmy s LYS 43 CO 0.02 -0.07 1.07 -1.25 0.10 0.00 0.00 175.35 175.22 2nmy s PRO 44 N -2.13 3.51 -0.05 1.78 0.04 -1.26 -0.96 135.00 135.92 2nmy s PRO 44 Ca -0.10 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 2nmy s PRO 44 Cb -0.05 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2nmy s PRO 44 CO -0.03 -0.68 0.33 0.21 0.04 0.00 0.00 177.00 176.87 2nmy s LYS 45 N -3.54 0.59 -0.17 4.56 2.20 -0.75 -4.88 119.74 117.75 2nmy s LYS 45 Ca 0.67 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 2nmy s LYS 45 Cb -0.18 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2nmy s LYS 45 CO 0.28 -0.14 0.00 -1.64 -0.36 0.00 0.00 175.35 173.49 2nmy s MET 46 N -0.82 3.78 0.06 4.03 -1.94 -1.26 -1.12 119.30 122.04 2nmy s MET 46 Ca -0.09 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.51 2nmy s MET 46 Cb -0.04 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 2nmy s MET 46 CO 0.03 0.24 -0.19 0.96 -0.01 0.00 0.00 175.02 176.05 2nmy s ILE 47 N 0.39 1.56 0.27 2.53 -4.36 -0.70 -4.99 121.20 115.91 2nmy s ILE 47 Ca -0.01 -1.28 0.11 0.00 -0.26 0.00 0.00 60.65 59.21 2nmy s ILE 47 Cb -0.14 -1.39 -0.05 0.00 1.25 0.00 0.00 42.46 42.14 2nmy s ILE 47 CO 0.02 0.07 -0.11 -0.83 0.24 0.00 0.00 174.94 174.33 2nmy s GLY 48 N -1.43 1.78 0.00 6.27 0.00 -1.26 -1.37 107.32 111.31 2nmy s GLY 48 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2nmy s GLY 48 CO 0.02 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.89 2nmy n GLY 49 N -0.74 2.58 0.30 0.20 0.00 -0.51 -5.00 105.19 102.03 2nmy n GLY 49 Ca -0.06 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2nmy n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nmy h ILE 50 N 0.00 0.67 -0.47 -0.61 1.08 -2.03 -2.92 117.51 113.23 2nmy h ILE 50 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2nmy h ILE 50 Cb 0.00 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 2nmy h ILE 50 CO 0.00 0.10 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 2nmy n GLY 51 N -1.33 2.80 0.00 5.37 0.00 -1.26 -5.08 105.19 105.69 2nmy n GLY 51 Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2nmy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmy n GLY 52 N 0.80 0.29 3.56 -0.02 0.00 -1.10 -5.09 105.19 103.63 2nmy n GLY 52 Ca 0.17 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 2nmy n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nmy s PHE 53 N 0.00 2.72 0.13 1.61 0.40 -1.26 -1.42 117.98 120.15 2nmy s PHE 53 Ca 0.00 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 2nmy s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2nmy s PHE 53 CO 0.00 0.41 -0.20 0.96 0.70 0.00 0.00 175.22 177.09 2nmy s ILE 54 N -1.18 1.77 -0.10 0.64 -4.36 -0.47 -4.98 121.20 112.52 2nmy s ILE 54 Ca 0.20 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 58.70 2nmy s ILE 54 Cb -0.11 -1.68 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 2nmy s ILE 54 CO 0.12 -0.15 0.54 -0.75 0.24 0.00 0.00 174.94 174.94 2nmy s LYS 55 N -2.26 4.36 0.25 0.37 2.20 -1.26 -1.71 119.74 121.68 2nmy s LYS 55 Ca 0.10 0.57 0.03 0.00 -0.36 0.00 0.00 55.97 56.31 2nmy s LYS 55 Cb -0.08 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2nmy s LYS 55 CO 0.05 0.15 0.01 0.14 -0.36 0.00 0.00 175.35 175.34 2nmy s VAL 56 N 0.63 1.01 -0.21 4.02 -7.23 -0.27 -4.48 120.40 113.86 2nmy s VAL 56 Ca 0.29 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2nmy s VAL 56 Cb -0.16 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2nmy s VAL 56 CO 0.12 -0.25 0.12 -0.13 -0.31 0.00 0.00 175.10 174.65 2nmy s ARG 57 N -3.88 4.08 -0.33 4.82 0.52 -0.25 -1.81 118.95 122.09 2nmy s ARG 57 Ca 0.30 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 2nmy s ARG 57 Cb 0.06 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2nmy s ARG 57 CO 0.10 0.20 0.36 -1.14 0.02 0.00 0.00 175.30 174.84 2nmy s GLN 58 N 0.63 3.63 -0.19 3.54 0.74 -0.14 -1.24 119.66 126.64 2nmy s GLN 58 Ca 0.07 -0.35 -0.05 0.00 0.05 0.00 0.00 55.36 55.07 2nmy s GLN 58 Cb -0.12 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 2nmy s GLN 58 CO 0.01 -0.48 0.01 0.71 -0.55 0.00 0.00 175.29 174.98 2nmy s TYR 59 N 2.02 3.08 0.26 1.67 1.51 -0.59 -2.27 117.35 123.03 2nmy s TYR 59 Ca 0.12 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2nmy s TYR 59 Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 2nmy s TYR 59 CO 0.11 -0.10 0.39 -0.51 -1.11 0.00 0.00 175.55 174.33 2nmy s ASP 60 N 0.72 6.31 -1.26 2.29 1.01 -1.26 -1.35 116.67 123.13 2nmy s ASP 60 Ca 0.00 0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 2nmy s ASP 60 Cb -0.14 -1.87 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 2nmy s ASP 60 CO 0.02 -0.11 0.82 0.00 0.21 0.00 0.00 175.17 176.11 2nmy n GLN 61 N -1.47 -5.39 -3.85 8.23 6.02 -1.20 -4.93 117.38 114.79 2nmy n GLN 61 Ca -0.08 0.71 -0.35 0.00 -0.01 0.00 0.00 57.00 57.27 2nmy n GLN 61 Cb 0.57 -5.43 -0.09 0.00 1.02 0.00 0.00 30.24 26.31 2nmy n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nmy s ILE 62 N -3.55 5.12 0.10 5.09 -1.09 -0.39 -4.86 121.20 121.62 2nmy s ILE 62 Ca 0.02 0.09 -0.19 0.00 -2.23 0.00 0.00 60.65 58.33 2nmy s ILE 62 Cb -0.00 -3.33 -0.07 0.00 -1.58 0.00 0.00 42.46 37.48 2nmy s ILE 62 CO 0.78 0.45 0.60 -0.63 -1.23 0.00 0.00 174.94 174.91 2nmy s ILE 63 N 0.39 4.70 0.01 2.92 1.01 -1.26 -1.96 121.20 127.00 2nmy s ILE 63 Ca 0.06 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 2nmy s ILE 63 Cb -0.12 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2nmy s ILE 63 CO -0.01 0.49 0.01 -0.51 0.00 0.00 0.00 174.94 174.91 2nmy s ILE 64 N -1.19 0.07 -0.20 2.92 2.07 -0.36 -4.57 121.20 119.93 2nmy s ILE 64 Ca 0.32 -0.55 -0.06 0.00 -1.41 0.00 0.00 60.65 58.96 2nmy s ILE 64 Cb -0.19 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 2nmy s ILE 64 CO 0.20 -0.30 0.02 -1.61 -1.91 0.00 0.00 174.94 171.34 2nmy s GLU 65 N -0.90 3.68 -0.25 3.50 2.02 -0.57 -1.33 118.70 124.85 2nmy s GLU 65 Ca -0.10 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.43 2nmy s GLU 65 Cb -0.06 -3.12 0.06 0.00 0.10 0.00 0.00 34.13 31.11 2nmy s GLU 65 CO -0.00 0.04 -0.10 0.42 0.02 0.00 0.00 175.26 175.64 2nmy s ILE 66 N 0.95 1.97 -1.54 -1.63 1.01 0.21 -1.28 121.20 120.88 2nmy s ILE 66 Ca 0.02 -1.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.02 2nmy s ILE 66 Cb -0.14 -2.12 0.14 0.00 0.01 0.00 0.00 42.46 40.35 2nmy s ILE 66 CO 0.02 -0.03 0.66 0.00 0.00 0.00 0.00 174.94 175.59 2nmy n ALA 67 N 4.51 -1.19 -0.26 9.38 0.00 -0.69 -1.42 120.51 130.85 2nmy n ALA 67 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nmy n ALA 67 Cb 0.43 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.80 2nmy n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nmy n GLY 68 N -1.25 0.75 3.41 0.00 0.00 -1.26 -5.06 105.19 101.78 2nmy n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2nmy n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nmy s HIS 69 N -2.59 3.00 0.16 1.61 4.02 -0.51 -5.10 115.29 115.89 2nmy s HIS 69 Ca 0.00 -0.57 -0.30 0.00 1.02 0.00 0.00 55.06 55.21 2nmy s HIS 69 Cb 0.00 -2.07 -0.07 0.00 -1.02 0.00 0.00 32.58 29.42 2nmy s HIS 69 CO 0.00 -0.30 0.97 0.15 1.02 0.00 0.00 174.74 176.58 2nmy s LYS 70 N 1.04 4.74 0.07 1.40 1.02 -1.26 -0.62 119.74 126.12 2nmy s LYS 70 Ca 0.01 1.49 -0.08 0.00 0.02 0.00 0.00 55.97 57.41 2nmy s LYS 70 Cb -0.14 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2nmy s LYS 70 CO 0.01 0.30 0.17 0.00 -0.92 0.00 0.00 175.35 174.92 2nmy s ALA 71 N -0.42 -0.22 -0.00 5.17 0.00 -0.44 -4.85 121.76 120.99 2nmy s ALA 71 Ca 0.45 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2nmy s ALA 71 Cb -0.25 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2nmy s ALA 71 CO 0.31 -0.44 -0.12 -1.50 0.00 0.00 0.00 175.76 174.01 2nmy s ILE 72 N -3.34 0.97 -0.88 0.00 2.07 -1.26 -1.22 121.20 117.54 2nmy s ILE 72 Ca 0.01 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 2nmy s ILE 72 Cb 0.03 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2nmy s ILE 72 CO -0.08 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2nmy n GLY 73 N 2.67 -1.12 3.73 1.50 0.00 -0.83 -4.94 105.19 106.20 2nmy n GLY 73 Ca -0.14 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2nmy n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nmy s THR 74 N -3.00 4.45 -0.08 2.61 2.01 -1.26 -1.26 115.64 119.11 2nmy s THR 74 Ca 0.00 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.01 2nmy s THR 74 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2nmy s THR 74 CO 0.00 0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.31 2nmy s VAL 75 N 0.21 1.72 -0.15 3.82 1.01 -0.46 -4.58 120.40 121.98 2nmy s VAL 75 Ca 0.49 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2nmy s VAL 75 Cb -0.24 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2nmy s VAL 75 CO 0.30 0.49 0.16 -0.76 0.00 0.00 0.00 175.10 175.28 2nmy s LEU 76 N 0.40 4.32 -0.10 3.92 1.43 -0.53 -1.55 118.68 126.57 2nmy s LEU 76 Ca -0.16 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2nmy s LEU 76 Cb -0.17 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2nmy s LEU 76 CO 0.07 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.06 2nmy s VAL 77 N -0.43 1.78 -1.13 -1.59 1.01 -0.37 -0.95 120.40 118.72 2nmy s VAL 77 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2nmy s VAL 77 Cb -0.12 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2nmy s VAL 77 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2nmy n GLY 78 N 3.83 -1.04 2.18 4.51 0.00 -0.84 -1.09 105.19 112.73 2nmy n GLY 78 Ca -0.20 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 2nmy n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nmy n PRO 79 N 0.00 2.96 -2.49 1.61 -0.04 -1.26 -3.62 135.00 132.16 2nmy n PRO 79 Ca 0.00 -1.68 -0.41 0.00 -0.04 0.00 0.00 63.50 61.38 2nmy n PRO 79 Cb 0.00 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 30.97 2nmy n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nmy s THR 80 N 1.68 3.62 -0.31 0.52 -1.32 -1.26 -4.96 115.64 113.60 2nmy s THR 80 Ca 0.68 1.54 0.25 0.00 -1.21 0.00 0.00 61.69 62.95 2nmy s THR 80 Cb 0.24 -3.98 0.26 0.00 -1.51 0.00 0.00 72.50 67.51 2nmy s THR 80 CO -0.03 0.33 1.75 -0.65 -2.21 0.00 0.00 174.62 173.81 2nmy h PRO 81 N 4.28 0.00 -2.82 7.08 0.11 -1.99 -3.44 132.00 135.21 2nmy h PRO 81 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2nmy h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 2nmy h PRO 81 CO 0.69 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.27 2nmy s ALA 82 N -3.44 -0.97 0.05 -0.75 0.00 -1.26 -5.13 121.76 110.26 2nmy s ALA 82 Ca 0.02 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 2nmy s ALA 82 Cb 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2nmy s ALA 82 CO 0.36 -0.26 1.24 -0.80 0.00 0.00 0.00 175.76 176.29 2nmy s ASN 83 N -0.89 7.03 -0.05 0.00 0.01 -1.26 -4.80 114.94 114.98 2nmy s ASN 83 Ca -0.10 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.11 2nmy s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2nmy s ASN 83 CO 0.04 -0.52 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.37 2nmy s ILE 84 N 1.32 0.95 -0.42 0.60 1.01 -0.45 -1.59 121.20 122.62 2nmy s ILE 84 Ca 0.59 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 2nmy s ILE 84 Cb -0.30 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.32 2nmy s ILE 84 CO 0.28 0.31 0.44 -0.63 0.00 0.00 0.00 174.94 175.34 2nmy s ILE 85 N 0.54 5.08 0.32 2.92 -1.09 -0.08 -1.82 121.20 127.08 2nmy s ILE 85 Ca -0.10 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2nmy s ILE 85 Cb -0.13 -4.03 0.06 0.00 -1.58 0.00 0.00 42.46 36.77 2nmy s ILE 85 CO 0.02 -0.41 0.44 0.61 -1.23 0.00 0.00 174.94 174.37 2nmy n GLY 86 N 5.10 1.14 0.28 6.18 0.00 -1.21 -1.44 105.19 115.24 2nmy n GLY 86 Ca -0.07 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.93 2nmy n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nmy h ARG 87 N 0.00 0.38 -0.34 1.61 3.08 -1.19 -1.41 114.38 116.51 2nmy h ARG 87 Ca -0.15 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 59.95 2nmy h ARG 87 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2nmy h ARG 87 CO 0.17 0.35 0.26 -2.95 -1.07 0.00 0.00 179.97 176.74 2nmy h ASN 88 N 0.38 0.00 0.00 7.04 -1.07 -1.82 -2.36 115.58 117.75 2nmy h ASN 88 Ca 0.09 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.18 2nmy h ASN 88 Cb 0.14 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.33 2nmy h ASN 88 CO -0.01 0.00 -2.11 0.18 0.07 0.00 0.00 177.43 175.56 2nmy n LEU 89 N -4.26 0.00 -0.25 6.14 4.77 -0.88 -4.53 117.00 117.99 2nmy n LEU 89 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2nmy n LEU 89 Cb 0.44 0.38 0.26 0.00 -2.33 0.00 0.00 43.42 42.17 2nmy n LEU 89 CO 0.34 0.38 1.24 -0.07 -1.33 0.00 0.00 177.39 177.95 2nmy h LEU 90 N 0.00 0.85 -1.14 2.23 3.38 -1.08 -2.03 115.31 117.51 2nmy h LEU 90 Ca -0.42 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.59 2nmy h LEU 90 Cb 1.94 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 2nmy h LEU 90 CO 0.02 0.58 0.59 0.71 0.09 0.00 0.00 178.44 180.43 2nmy h THR 91 N 0.99 1.13 0.00 0.22 1.35 -1.67 -2.42 112.91 112.51 2nmy h THR 91 Ca 0.33 -0.37 -0.08 0.00 -0.55 0.00 0.00 66.41 65.74 2nmy h THR 91 Cb 0.07 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.42 2nmy h THR 91 CO -0.10 0.20 -0.36 1.56 -0.25 0.00 0.00 175.52 176.56 2nmy h GLN 92 N 1.09 0.00 -0.06 4.72 1.08 -1.60 -2.25 115.11 118.08 2nmy h GLN 92 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 2nmy h GLN 92 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2nmy h GLN 92 CO -0.12 0.36 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2nmy n ILE 93 N -3.61 0.06 -1.36 2.54 -5.35 -1.14 -4.96 119.36 105.54 2nmy n ILE 93 Ca -0.01 -0.33 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2nmy n ILE 93 Cb 0.48 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 39.02 2nmy n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nmy n GLY 94 N 1.21 0.41 3.75 3.28 0.00 -0.85 -5.02 105.19 107.97 2nmy n GLY 94 Ca 0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2nmy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmy s ALA 95 N -2.04 3.41 0.07 4.61 0.00 -0.92 -5.05 121.76 121.85 2nmy s ALA 95 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2nmy s ALA 95 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2nmy s ALA 95 CO 0.00 -0.23 -0.08 0.95 0.00 0.00 0.00 175.76 176.40 2nmy s THR 96 N -0.84 0.69 -0.18 0.00 -4.23 -1.26 -4.77 115.64 105.04 2nmy s THR 96 Ca 0.47 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.41 2nmy s THR 96 Cb -0.32 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 2nmy s THR 96 CO 0.40 -0.54 0.25 -0.22 -0.54 0.00 0.00 174.62 173.97 2nmy s LEU 97 N -2.16 4.21 -0.05 4.79 2.96 -1.26 -5.10 118.68 122.06 2nmy s LEU 97 Ca -0.01 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2nmy s LEU 97 Cb -0.04 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.35 2nmy s LEU 97 CO -0.01 0.09 -0.15 0.20 -1.32 0.00 0.00 176.35 175.16 2nmy s ASN 98 N 0.58 2.01 0.00 3.68 0.01 -1.26 -5.31 114.94 114.64 2nmy s ASN 98 Ca 0.14 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2nmy s ASN 98 Cb -0.13 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.83 2nmy s ASN 98 CO 0.03 0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.95