#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msm s GLN 2 N 0.00 2.70 -0.22 -0.52 0.74 -1.26 -5.10 119.66 116.00 1msm s GLN 2 Ca 0.00 -1.05 -0.07 0.00 0.05 0.00 0.00 55.36 54.30 1msm s GLN 2 Cb 0.00 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 1msm s GLN 2 CO 0.00 -0.39 0.05 0.42 -0.55 0.00 0.00 175.29 174.82 1msm s ILE 3 N 1.24 4.37 0.67 -2.34 1.01 -1.26 -5.10 121.20 119.80 1msm s ILE 3 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 1msm s ILE 3 Cb -0.16 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1msm s ILE 3 CO -0.08 0.39 1.05 0.42 0.00 0.00 0.00 174.94 176.73 1msm s THR 4 N 1.09 3.67 -0.24 2.92 -4.23 -1.26 -5.01 115.64 112.58 1msm s THR 4 Ca 0.04 0.44 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1msm s THR 4 Cb -0.14 -3.52 0.53 0.00 1.34 0.00 0.00 72.50 70.71 1msm s THR 4 CO 0.03 -0.66 1.47 0.18 -0.54 0.00 0.00 174.62 175.10 1msm n LEU 5 N -2.90 4.16 0.00 4.79 4.77 -1.26 -4.56 117.00 122.02 1msm n LEU 5 Ca 0.06 -3.34 0.01 0.00 -0.03 0.00 0.00 56.01 52.71 1msm n LEU 5 Cb 0.57 -0.60 0.34 0.00 -2.33 0.00 0.00 43.42 41.40 1msm n LEU 5 CO 0.57 0.92 1.00 -0.50 -1.33 0.00 0.00 177.39 178.05 1msm h TRP 6 N 1.47 0.52 -2.98 -1.77 4.06 -2.06 -3.44 115.95 111.76 1msm h TRP 6 Ca 0.12 -0.03 -0.45 0.00 2.06 0.00 0.00 58.89 60.59 1msm h TRP 6 Cb 1.62 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 29.48 1msm h TRP 6 CO 0.77 0.46 -0.62 0.15 -3.56 0.00 0.00 178.44 175.64 1msm s LYS 7 N -5.12 1.59 0.25 0.49 -0.14 -1.26 -5.10 119.74 110.45 1msm s LYS 7 Ca -0.08 -1.87 -0.31 0.00 -1.36 0.00 0.00 55.97 52.35 1msm s LYS 7 Cb 0.16 -0.79 -0.12 0.00 -1.68 0.00 0.00 37.83 35.40 1msm s LYS 7 CO 0.75 -0.18 1.61 0.54 -0.76 0.00 0.00 175.35 177.31 1msm n ARG 8 N -0.63 2.60 -2.56 1.68 1.74 -1.26 -4.86 116.66 113.36 1msm n ARG 8 Ca -0.02 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 1msm n ARG 8 Cb 0.66 -2.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.38 1msm n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1msm s PRO 9 N 0.05 3.89 -0.04 5.56 0.04 -1.26 -4.96 135.00 138.28 1msm s PRO 9 Ca 0.69 -1.84 -0.16 0.00 0.04 0.00 0.00 61.00 59.73 1msm s PRO 9 Cb -0.53 -5.50 -0.05 0.00 0.04 0.00 0.00 34.50 28.45 1msm s PRO 9 CO 0.44 -2.29 0.42 -0.51 0.04 0.00 0.00 177.00 175.09 1msm s LEU 10 N 4.51 4.41 0.19 -3.56 1.43 -1.26 -1.32 118.68 123.07 1msm s LEU 10 Ca 0.53 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1msm s LEU 10 Cb 0.03 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1msm s LEU 10 CO 0.05 0.23 0.00 0.68 0.23 0.00 0.00 176.35 177.54 1msm s VAL 11 N -0.55 0.75 -0.09 -1.59 -7.23 0.68 -4.94 120.40 107.44 1msm s VAL 11 Ca 0.24 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 1msm s VAL 11 Cb -0.16 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1msm s VAL 11 CO 0.12 -0.44 0.36 -0.89 -0.31 0.00 0.00 175.10 173.93 1msm s THR 12 N -3.61 5.19 0.17 5.32 2.01 -1.26 -0.54 115.64 122.92 1msm s THR 12 Ca 0.25 0.70 0.06 0.00 0.31 0.00 0.00 61.69 63.02 1msm s THR 12 Cb 0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1msm s THR 12 CO 0.05 0.48 -0.13 0.27 -0.69 0.00 0.00 174.62 174.60 1msm s ILE 13 N -0.26 1.46 -0.16 1.82 -4.36 0.53 -3.68 121.20 116.55 1msm s ILE 13 Ca 0.21 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1msm s ILE 13 Cb -0.15 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.73 1msm s ILE 13 CO 0.09 -0.60 -0.18 -0.75 0.24 0.00 0.00 174.94 173.74 1msm s LYS 14 N -3.43 2.76 -0.09 0.37 2.20 -0.13 -1.45 119.74 119.97 1msm s LYS 14 Ca 0.17 -0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 1msm s LYS 14 Cb -0.01 -2.39 0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1msm s LYS 14 CO 0.04 -0.19 0.24 -1.50 -0.36 0.00 0.00 175.35 173.57 1msm s ILE 15 N 1.28 -0.02 -1.54 5.43 2.07 -0.53 -1.65 121.20 126.24 1msm s ILE 15 Ca 0.03 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1msm s ILE 15 Cb -0.13 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1msm s ILE 15 CO -0.11 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 1msm n GLY 16 N 3.56 -0.44 2.50 1.50 0.00 -1.26 -1.41 105.19 109.65 1msm n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1msm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msm n GLY 17 N -0.93 0.91 3.37 -0.02 0.00 -1.26 -5.02 105.19 102.24 1msm n GLY 17 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1msm n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1msm s GLN 18 N -0.15 1.39 -0.05 1.61 -2.07 -0.50 -5.13 119.66 114.76 1msm s GLN 18 Ca 0.00 -1.56 -0.13 0.00 -1.82 0.00 0.00 55.36 51.85 1msm s GLN 18 Cb 0.00 -1.37 -0.05 0.00 -1.09 0.00 0.00 33.01 30.50 1msm s GLN 18 CO 0.00 0.26 0.32 -0.51 -1.32 0.00 0.00 175.29 174.04 1msm s LEU 19 N -3.09 4.42 0.04 2.60 1.43 -1.26 -1.45 118.68 121.36 1msm s LEU 19 Ca 0.22 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1msm s LEU 19 Cb -0.04 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1msm s LEU 19 CO 0.09 0.32 0.16 -0.54 0.23 0.00 0.00 176.35 176.60 1msm s LYS 20 N -0.86 0.65 -0.10 1.70 1.02 -0.53 -5.00 119.74 116.63 1msm s LYS 20 Ca 0.21 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 1msm s LYS 20 Cb -0.15 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 1msm s LYS 20 CO 0.10 -0.18 0.29 -2.00 -0.92 0.00 0.00 175.35 172.63 1msm s GLU 21 N -2.58 3.95 0.04 1.68 2.12 -1.26 -0.35 118.70 122.30 1msm s GLU 21 Ca -0.05 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 1msm s GLU 21 Cb -0.01 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 1msm s GLU 21 CO -0.04 0.51 0.03 0.00 -0.54 0.00 0.00 175.26 175.22 1msm s ALA 22 N -0.38 0.18 -0.21 6.30 0.00 0.30 -4.48 121.76 123.48 1msm s ALA 22 Ca 0.18 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1msm s ALA 22 Cb -0.14 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1msm s ALA 22 CO 0.07 -0.32 0.23 -1.17 0.00 0.00 0.00 175.76 174.57 1msm s LEU 23 N -2.34 4.17 -0.55 0.00 2.96 0.26 -0.23 118.68 122.95 1msm s LEU 23 Ca -0.02 0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1msm s LEU 23 Cb 0.01 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.48 1msm s LEU 23 CO -0.06 0.07 1.32 -0.76 -1.32 0.00 0.00 176.35 175.60 1msm s LEU 24 N 0.84 3.45 -0.34 -0.68 1.43 -0.43 -0.62 118.68 122.32 1msm s LEU 24 Ca 0.12 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1msm s LEU 24 Cb -0.13 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.02 1msm s LEU 24 CO 0.04 -1.58 0.07 -0.62 0.23 0.00 0.00 176.35 174.48 1msm s ASP 25 N 3.78 4.91 0.25 2.29 2.15 -0.46 -4.78 116.67 124.81 1msm s ASP 25 Ca 0.50 -1.85 0.24 0.00 0.43 0.00 0.00 52.55 51.86 1msm s ASP 25 Cb -0.10 -1.70 0.95 0.00 -0.30 0.00 0.00 42.92 41.78 1msm s ASP 25 CO 0.26 -0.39 1.72 0.35 -0.17 0.00 0.00 175.17 176.95 1msm n THR 26 N 4.46 0.79 0.45 1.71 -2.24 -1.26 -2.51 114.28 115.67 1msm n THR 26 Ca -0.04 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1msm n THR 26 Cb 0.42 -1.07 0.22 0.00 -2.10 0.00 0.00 70.33 67.80 1msm n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1msm h GLY 27 N 2.62 0.00 -5.80 3.38 0.00 -1.94 -3.45 103.07 97.88 1msm h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1msm h GLY 27 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.60 1msm s ALA 28 N -3.18 3.50 0.25 3.60 0.00 -1.05 -4.95 121.76 119.93 1msm s ALA 28 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1msm s ALA 28 Cb 0.11 -2.91 0.32 0.00 0.00 0.00 0.00 23.12 20.64 1msm s ALA 28 CO 0.68 -0.40 1.65 -0.44 0.00 0.00 0.00 175.76 177.25 1msm h ASP 29 N 7.26 0.47 -3.94 0.00 3.32 -1.87 -0.12 116.42 121.54 1msm h ASP 29 Ca -0.34 -0.20 -0.34 0.00 0.02 0.00 0.00 57.03 56.17 1msm h ASP 29 Cb 1.16 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1msm h ASP 29 CO 0.77 0.81 -0.27 0.47 -1.72 0.00 0.00 179.24 179.30 1msm n ASP 30 N -4.04 1.54 -4.46 6.45 8.00 -1.26 -2.57 116.55 120.21 1msm n ASP 30 Ca -0.01 -2.26 -0.34 0.00 0.71 0.00 0.00 54.79 52.88 1msm n ASP 30 Cb 0.48 0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 41.96 1msm n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1msm s THR 31 N -2.33 3.88 -0.09 -3.53 2.01 -1.26 -2.79 115.64 111.53 1msm s THR 31 Ca 0.09 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1msm s THR 31 Cb 0.00 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1msm s THR 31 CO 0.06 0.46 -0.16 0.54 -0.69 0.00 0.00 174.62 174.82 1msm s VAL 32 N 0.76 1.52 0.12 3.82 0.11 -0.77 -0.14 120.40 125.81 1msm s VAL 32 Ca -0.01 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 58.46 1msm s VAL 32 Cb -0.14 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1msm s VAL 32 CO 0.02 0.44 -0.26 -0.63 -3.33 0.00 0.00 175.10 171.34 1msm s ILE 33 N 0.69 2.16 0.98 7.04 -1.09 0.13 -0.94 121.20 130.17 1msm s ILE 33 Ca -0.13 -1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 56.48 1msm s ILE 33 Cb -0.16 -1.91 0.12 0.00 -1.58 0.00 0.00 42.46 38.93 1msm s ILE 33 CO 0.03 0.09 0.79 -1.84 -1.23 0.00 0.00 174.94 172.78 1msm n GLU 34 N 1.02 -0.73 -1.65 2.79 0.28 -1.26 -1.61 120.64 119.48 1msm n GLU 34 Ca -0.18 -0.16 -0.53 0.00 -0.16 0.00 0.00 57.16 56.12 1msm n GLU 34 Cb 0.53 -2.12 -0.06 0.00 1.43 0.00 0.00 31.44 31.22 1msm n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1msm n GLU 35 N -3.29 1.35 -3.49 3.44 -0.58 -1.22 -4.57 120.64 112.28 1msm n GLU 35 Ca 0.08 0.49 -0.11 0.00 -0.42 0.00 0.00 57.16 57.21 1msm n GLU 35 Cb 0.54 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.20 1msm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1msm s MET 36 N 2.04 1.22 0.07 3.49 0.23 -1.26 -5.05 119.30 120.04 1msm s MET 36 Ca 0.90 -0.48 -0.25 0.00 -1.03 0.00 0.00 55.69 54.82 1msm s MET 36 Cb -0.95 0.54 -0.06 0.00 -1.53 0.00 0.00 34.83 32.83 1msm s MET 36 CO 0.54 -0.54 0.78 0.45 -2.03 0.00 0.00 175.02 174.22 1msm s SER 37 N -2.71 7.27 0.03 -1.18 0.15 -1.26 -5.05 113.70 110.95 1msm s SER 37 Ca 0.03 1.51 0.01 0.00 0.70 0.00 0.00 55.95 58.20 1msm s SER 37 Cb -0.01 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1msm s SER 37 CO -0.10 0.04 -0.05 -0.76 1.20 0.00 0.00 173.24 173.57 1msm s LEU 38 N -0.23 2.28 0.64 3.45 1.43 -1.26 -4.86 118.68 120.13 1msm s LEU 38 Ca 0.39 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1msm s LEU 38 Cb -0.21 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1msm s LEU 38 CO 0.24 -0.30 1.04 -2.84 0.23 0.00 0.00 176.35 174.72 1msm s PRO 39 N -1.78 3.36 0.00 1.29 0.02 -1.26 -4.97 135.00 131.66 1msm s PRO 39 Ca -0.11 0.88 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1msm s PRO 39 Cb -0.08 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1msm s PRO 39 CO -0.01 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1msm n GLY 40 N -2.22 -0.80 3.90 0.52 0.00 -1.26 -4.86 105.19 100.46 1msm n GLY 40 Ca 0.07 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1msm n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1msm s ARG 41 N -1.29 2.74 0.08 1.61 6.06 -1.26 -5.06 118.95 121.83 1msm s ARG 41 Ca 0.00 0.27 -0.05 0.00 -2.50 0.00 0.00 55.73 53.46 1msm s ARG 41 Cb 0.00 -2.08 -0.02 0.00 0.06 0.00 0.00 34.95 32.90 1msm s ARG 41 CO 0.00 -1.02 0.09 1.67 -2.50 0.00 0.00 175.30 173.53 1msm s TRP 42 N -3.29 0.41 -0.02 5.12 1.48 -1.26 -4.49 118.94 116.89 1msm s TRP 42 Ca 0.58 -0.88 0.04 0.00 -1.06 0.00 0.00 56.10 54.77 1msm s TRP 42 Cb -0.11 -0.25 -0.00 0.00 -1.16 0.00 0.00 33.47 31.95 1msm s TRP 42 CO 0.49 -0.48 -0.12 0.21 -4.06 0.00 0.00 176.95 172.99 1msm s LYS 43 N -3.91 1.15 0.57 3.25 2.20 -0.85 -4.89 119.74 117.25 1msm s LYS 43 Ca 0.09 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 55.06 1msm s LYS 43 Cb 0.06 -1.07 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 1msm s LYS 43 CO -0.08 0.22 1.23 -2.14 -0.36 0.00 0.00 175.35 174.21 1msm s PRO 44 N -0.08 3.10 0.05 4.03 0.02 -1.26 -0.46 135.00 140.40 1msm s PRO 44 Ca 0.01 1.89 -0.27 0.00 0.02 0.00 0.00 61.00 62.65 1msm s PRO 44 Cb -0.07 -2.04 0.07 0.00 0.02 0.00 0.00 34.50 32.48 1msm s PRO 44 CO 0.00 -1.12 0.65 0.21 -0.33 0.00 0.00 177.00 176.41 1msm s LYS 45 N -3.18 1.15 -0.07 5.54 2.20 -0.39 -4.85 119.74 120.14 1msm s LYS 45 Ca 0.75 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1msm s LYS 45 Cb -0.32 0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1msm s LYS 45 CO 0.36 -0.44 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.08 1msm s MET 46 N -2.44 2.77 0.02 4.03 -1.94 -1.26 -0.50 119.30 119.98 1msm s MET 46 Ca -0.05 -0.79 0.06 0.00 -1.71 0.00 0.00 55.69 53.20 1msm s MET 46 Cb -0.01 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 1msm s MET 46 CO -0.01 0.40 -0.17 0.96 -0.01 0.00 0.00 175.02 176.18 1msm s ILE 47 N -0.18 1.37 0.12 2.53 -4.36 -0.84 -4.98 121.20 114.86 1msm s ILE 47 Ca -0.02 -0.95 -0.04 0.00 -0.26 0.00 0.00 60.65 59.38 1msm s ILE 47 Cb -0.14 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 1msm s ILE 47 CO 0.03 0.22 0.12 -0.83 0.24 0.00 0.00 174.94 174.72 1msm s GLY 48 N -0.85 0.65 0.00 6.27 0.00 -1.26 -1.35 107.32 110.78 1msm s GLY 48 Ca 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1msm s GLY 48 CO 0.01 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1msm n GLY 49 N -0.08 1.63 3.70 0.20 0.00 0.28 -4.96 105.19 105.96 1msm n GLY 49 Ca -0.09 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1msm n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1msm n ILE 50 N 0.00 0.18 -0.13 -0.61 2.08 -1.26 -1.26 119.36 118.36 1msm n ILE 50 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1msm n ILE 50 Cb 0.00 -2.03 0.00 0.00 -0.75 0.00 0.00 39.64 36.86 1msm n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1msm n GLY 51 N 4.07 1.44 0.00 7.39 0.00 -1.26 -4.91 105.19 111.92 1msm n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1msm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msm n GLY 52 N -2.00 0.10 3.52 -0.02 0.00 -0.39 -5.07 105.19 101.34 1msm n GLY 52 Ca 0.00 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1msm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1msm s PHE 53 N 0.00 2.38 0.05 1.61 0.40 -1.26 -0.56 117.98 120.61 1msm s PHE 53 Ca 0.00 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1msm s PHE 53 Cb 0.00 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1msm s PHE 53 CO 0.00 0.68 -0.05 0.96 0.70 0.00 0.00 175.22 177.51 1msm s ILE 54 N -2.49 0.36 -0.03 0.64 -4.36 -0.45 -4.98 121.20 109.88 1msm s ILE 54 Ca 0.31 -1.42 -0.14 0.00 -0.26 0.00 0.00 60.65 59.13 1msm s ILE 54 Cb -0.04 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.61 1msm s ILE 54 CO 0.16 -0.70 0.38 -0.75 0.24 0.00 0.00 174.94 174.28 1msm s LYS 55 N -2.69 3.94 0.21 0.37 2.20 -1.26 -1.99 119.74 120.52 1msm s LYS 55 Ca -0.02 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1msm s LYS 55 Cb -0.02 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1msm s LYS 55 CO -0.04 0.61 0.08 0.14 -0.36 0.00 0.00 175.35 175.79 1msm s VAL 56 N -0.79 0.37 -0.14 4.02 -7.23 0.34 -4.34 120.40 112.64 1msm s VAL 56 Ca 0.23 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1msm s VAL 56 Cb -0.16 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1msm s VAL 56 CO 0.11 -0.14 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.55 1msm s ARG 57 N -4.05 3.48 -0.26 4.82 0.52 0.14 -1.26 118.95 122.34 1msm s ARG 57 Ca 0.34 -0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 54.78 1msm s ARG 57 Cb 0.07 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 1msm s ARG 57 CO 0.10 0.25 0.43 -1.14 0.02 0.00 0.00 175.30 174.96 1msm s GLN 58 N 0.30 4.04 -0.07 3.54 0.74 0.40 -1.07 119.66 127.54 1msm s GLN 58 Ca -0.07 0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.52 1msm s GLN 58 Cb -0.15 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1msm s GLN 58 CO 0.04 -0.30 -0.14 0.71 -0.55 0.00 0.00 175.29 175.06 1msm s TYR 59 N 2.15 2.74 0.32 1.67 1.51 -0.56 -2.00 117.35 123.18 1msm s TYR 59 Ca 0.18 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1msm s TYR 59 Cb -0.16 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1msm s TYR 59 CO 0.10 0.13 0.21 -0.51 -1.11 0.00 0.00 175.55 174.36 1msm s ASP 60 N -0.54 5.09 -1.41 2.29 1.01 -1.26 -0.79 116.67 121.06 1msm s ASP 60 Ca 0.07 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 1msm s ASP 60 Cb -0.12 -0.96 0.01 0.00 1.01 0.00 0.00 42.92 42.86 1msm s ASP 60 CO 0.01 -0.26 0.48 0.00 0.21 0.00 0.00 175.17 175.61 1msm n GLN 61 N -1.24 -3.55 -3.59 8.23 6.02 -1.22 -4.91 117.38 117.12 1msm n GLN 61 Ca -0.03 0.44 -0.36 0.00 -0.01 0.00 0.00 57.00 57.03 1msm n GLN 61 Cb 0.60 -4.66 -0.07 0.00 1.02 0.00 0.00 30.24 27.13 1msm n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1msm s ILE 62 N -3.88 5.32 0.07 5.09 -1.09 -0.05 -4.80 121.20 121.86 1msm s ILE 62 Ca 0.05 0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 58.72 1msm s ILE 62 Cb -0.02 -3.59 -0.06 0.00 -1.58 0.00 0.00 42.46 37.20 1msm s ILE 62 CO 0.88 0.42 0.66 -0.63 -1.23 0.00 0.00 174.94 175.04 1msm s ILE 63 N 0.31 4.69 0.02 2.92 1.01 -1.26 -1.83 121.20 127.06 1msm s ILE 63 Ca 0.15 1.41 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 1msm s ILE 63 Cb -0.13 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1msm s ILE 63 CO 0.03 0.48 -0.01 -0.63 0.00 0.00 0.00 174.94 174.82 1msm s ILE 64 N -0.70 0.12 -0.10 2.92 1.01 -0.08 -4.47 121.20 119.89 1msm s ILE 64 Ca 0.33 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1msm s ILE 64 Cb -0.20 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1msm s ILE 64 CO 0.21 -0.54 -0.19 -0.70 0.00 0.00 0.00 174.94 173.72 1msm s GLU 65 N -1.74 2.55 -0.13 2.79 2.12 -0.66 -0.79 118.70 122.84 1msm s GLU 65 Ca -0.13 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1msm s GLU 65 Cb -0.08 -2.03 0.04 0.00 0.26 0.00 0.00 34.13 32.32 1msm s GLU 65 CO -0.02 0.05 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.24 1msm s ILE 66 N 0.67 0.68 -1.45 -3.70 2.07 0.00 -0.95 121.20 118.52 1msm s ILE 66 Ca -0.12 -0.29 -0.10 0.00 -1.41 0.00 0.00 60.65 58.73 1msm s ILE 66 Cb -0.16 -0.91 0.06 0.00 0.13 0.00 0.00 42.46 41.57 1msm s ILE 66 CO 0.03 0.12 0.74 0.00 -1.91 0.00 0.00 174.94 173.92 1msm n GLY 68 N -1.50 2.00 3.68 0.00 0.00 -1.26 -5.03 105.19 103.08 1msm n GLY 68 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1msm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1msm s HIS 69 N -2.37 3.39 -0.17 1.61 4.02 -0.29 -5.06 115.29 116.42 1msm s HIS 69 Ca 0.00 0.61 -0.18 0.00 1.02 0.00 0.00 55.06 56.51 1msm s HIS 69 Cb 0.00 -2.49 -0.04 0.00 -1.02 0.00 0.00 32.58 29.03 1msm s HIS 69 CO 0.00 0.03 0.48 0.15 1.02 0.00 0.00 174.74 176.43 1msm s LYS 70 N 1.16 4.24 0.11 1.40 1.02 -1.26 -0.82 119.74 125.60 1msm s LYS 70 Ca 0.18 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.60 1msm s LYS 70 Cb -0.14 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1msm s LYS 70 CO 0.07 -0.01 -0.10 0.00 -0.92 0.00 0.00 175.35 174.39 1msm s ALA 71 N 1.20 1.21 0.01 5.17 0.00 0.03 -4.95 121.76 124.43 1msm s ALA 71 Ca 0.24 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1msm s ALA 71 Cb -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1msm s ALA 71 CO 0.10 -0.08 -0.15 0.42 0.00 0.00 0.00 175.76 176.05 1msm s ILE 72 N -2.85 1.22 -1.61 0.00 1.09 -1.26 -0.91 121.20 116.87 1msm s ILE 72 Ca 0.10 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 1msm s ILE 72 Cb -0.00 -1.04 0.00 0.00 -1.06 0.00 0.00 42.46 40.36 1msm s ILE 72 CO -0.00 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 1msm n GLY 73 N 2.43 -1.52 3.77 6.18 0.00 -0.76 -4.92 105.19 110.37 1msm n GLY 73 Ca -0.15 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1msm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1msm s THR 74 N -2.43 3.37 -0.05 2.61 2.01 -1.26 -0.87 115.64 119.02 1msm s THR 74 Ca 0.00 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.22 1msm s THR 74 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1msm s THR 74 CO 0.00 0.16 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 1msm s VAL 75 N -1.37 0.52 -0.10 3.82 1.01 0.03 -4.48 120.40 119.82 1msm s VAL 75 Ca 0.53 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1msm s VAL 75 Cb -0.30 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1msm s VAL 75 CO 0.38 0.23 0.21 -0.76 0.00 0.00 0.00 175.10 175.15 1msm s LEU 76 N 1.07 4.39 -0.12 3.92 1.43 0.80 -1.49 118.68 128.68 1msm s LEU 76 Ca -0.09 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1msm s LEU 76 Cb -0.14 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1msm s LEU 76 CO -0.01 0.36 -0.21 -0.69 0.23 0.00 0.00 176.35 176.03 1msm s VAL 77 N -0.89 1.93 0.00 -1.59 1.01 -0.24 0.22 120.40 120.85 1msm s VAL 77 Ca 0.17 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1msm s VAL 77 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1msm s VAL 77 CO 0.06 0.53 0.07 0.61 0.00 0.00 0.00 175.10 176.36 1msm n GLY 78 N 3.89 0.70 2.21 4.51 0.00 -0.63 -0.68 105.19 115.18 1msm n GLY 78 Ca -0.20 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 1msm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1msm n PRO 79 N -0.05 2.32 -2.66 1.61 -0.04 -1.26 -3.46 135.00 131.47 1msm n PRO 79 Ca 0.00 -1.31 -0.38 0.00 -0.04 0.00 0.00 63.50 61.77 1msm n PRO 79 Cb 0.03 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.20 1msm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1msm s THR 80 N 1.80 3.92 0.37 0.52 -1.32 -1.26 -4.94 115.64 114.73 1msm s THR 80 Ca 0.59 1.70 0.15 0.00 -1.21 0.00 0.00 61.69 62.91 1msm s THR 80 Cb 0.23 -3.99 0.12 0.00 -1.51 0.00 0.00 72.50 67.35 1msm s THR 80 CO -0.02 0.23 1.86 -0.65 -2.21 0.00 0.00 174.62 173.83 1msm h PRO 81 N 3.36 0.00 -3.80 7.08 0.11 -1.98 -3.44 132.00 133.33 1msm h PRO 81 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 1msm h PRO 81 Cb 1.20 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1msm h PRO 81 CO 0.65 0.33 -0.72 0.08 -0.21 0.00 0.00 178.00 178.14 1msm s VAL 82 N -4.19 0.03 0.07 3.15 1.01 -1.26 -5.11 120.40 114.10 1msm s VAL 82 Ca -0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1msm s VAL 82 Cb 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.38 1msm s VAL 82 CO 0.71 -0.13 1.36 0.20 0.00 0.00 0.00 175.10 177.24 1msm s ASN 83 N -0.37 6.88 -0.09 3.32 0.01 -1.26 -4.84 114.94 118.59 1msm s ASN 83 Ca -0.04 2.21 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 1msm s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1msm s ASN 83 CO -0.00 -0.64 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.15 1msm s ILE 84 N 1.48 1.54 -0.34 0.60 1.01 -0.11 -0.57 121.20 124.81 1msm s ILE 84 Ca 0.63 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1msm s ILE 84 Cb -0.34 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1msm s ILE 84 CO 0.29 0.45 0.34 -0.63 0.00 0.00 0.00 174.94 175.39 1msm s ILE 85 N 0.64 5.19 0.58 2.92 -1.09 0.21 -1.85 121.20 127.79 1msm s ILE 85 Ca -0.14 0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1msm s ILE 85 Cb -0.16 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.02 1msm s ILE 85 CO 0.04 -0.06 0.79 0.61 -1.23 0.00 0.00 174.94 175.09 1msm n GLY 86 N 4.97 1.41 0.36 6.18 0.00 -1.12 -1.35 105.19 115.64 1msm n GLY 86 Ca -0.10 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.90 1msm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1msm h ARG 87 N 0.00 0.59 -0.32 1.61 3.08 -1.08 -0.80 114.38 117.46 1msm h ARG 87 Ca -0.27 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 59.84 1msm h ARG 87 Cb 1.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1msm h ARG 87 CO 0.34 0.39 0.28 -2.95 -1.07 0.00 0.00 179.97 176.96 1msm h ASN 88 N 0.61 0.00 0.00 7.04 -1.07 -1.76 -1.96 115.58 118.45 1msm h ASN 88 Ca 0.36 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.49 1msm h ASN 88 Cb 0.58 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.78 1msm h ASN 88 CO -0.14 0.00 -1.97 0.18 0.07 0.00 0.00 177.43 175.58 1msm n LEU 89 N -4.08 0.00 -0.37 6.14 4.77 -0.73 -4.43 117.00 118.30 1msm n LEU 89 Ca 0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1msm n LEU 89 Cb 0.44 0.32 0.11 0.00 -2.33 0.00 0.00 43.42 41.97 1msm n LEU 89 CO 0.32 0.32 1.28 -0.07 -1.33 0.00 0.00 177.39 177.91 1msm h LEU 90 N 0.00 1.16 -1.04 2.23 3.38 -0.73 -1.97 115.31 118.34 1msm h LEU 90 Ca -0.36 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1msm h LEU 90 Cb 1.78 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 1msm h LEU 90 CO 0.02 0.85 0.65 0.71 0.09 0.00 0.00 178.44 180.76 1msm h THR 91 N 1.35 1.25 0.00 0.22 1.35 -1.60 -1.95 112.91 113.54 1msm h THR 91 Ca 0.36 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 1msm h THR 91 Cb -0.13 -0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 66.09 1msm h THR 91 CO -0.08 0.24 -0.06 1.56 -0.25 0.00 0.00 175.52 176.93 1msm h GLN 92 N 1.33 0.00 -0.72 4.72 1.08 -1.57 -1.50 115.11 118.45 1msm h GLN 92 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1msm h GLN 92 Cb -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1msm h GLN 92 CO -0.08 0.06 0.00 0.44 -0.95 0.00 0.00 178.83 178.30 1msm n ILE 93 N -4.09 1.27 -2.94 2.54 -5.35 -1.00 -4.94 119.36 104.84 1msm n ILE 93 Ca -0.03 -1.06 -0.14 0.00 -0.27 0.00 0.00 62.75 61.25 1msm n ILE 93 Cb 0.15 0.38 0.04 0.00 -1.74 0.00 0.00 39.64 38.47 1msm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1msm n GLY 94 N 1.52 0.02 3.73 3.28 0.00 -0.56 -5.00 105.19 108.18 1msm n GLY 94 Ca 0.25 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1msm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msm s THR 96 N 0.31 0.54 -0.12 0.00 -4.23 -1.26 -4.65 115.64 106.22 1msm s THR 96 Ca 0.37 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 1msm s THR 96 Cb -0.19 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1msm s THR 96 CO 0.20 -0.62 0.10 -0.76 -0.54 0.00 0.00 174.62 173.00 1msm s LEU 97 N -3.10 4.15 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.58 1msm s LEU 97 Ca 0.19 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1msm s LEU 97 Cb 0.06 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1msm s LEU 97 CO 0.00 0.36 0.02 0.20 0.23 0.00 0.00 176.35 177.16 1msm s ASN 98 N -0.75 0.09 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.15 1msm s ASN 98 Ca 0.13 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1msm s ASN 98 Cb -0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 1msm s ASN 98 CO 0.03 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.70