#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cem s GLN 2 N 0.00 3.45 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.81 2cem s GLN 2 Ca 0.00 -0.59 -0.06 0.00 0.05 0.00 0.00 55.36 54.75 2cem s GLN 2 Cb 0.00 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 2cem s GLN 2 CO 0.00 -0.12 0.04 0.42 -0.55 0.00 0.00 175.29 175.08 2cem s ILE 3 N 1.30 4.09 0.76 -2.34 1.01 -1.26 -5.10 121.20 119.66 2cem s ILE 3 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2cem s ILE 3 Cb -0.14 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.48 2cem s ILE 3 CO -0.01 0.38 1.13 0.42 0.00 0.00 0.00 174.94 176.86 2cem s THR 4 N 1.42 2.86 -0.21 2.92 -4.23 -1.26 -5.00 115.64 112.13 2cem s THR 4 Ca 0.05 0.28 0.14 0.00 -1.18 0.00 0.00 61.69 60.98 2cem s THR 4 Cb -0.15 -3.24 0.47 0.00 1.34 0.00 0.00 72.50 70.92 2cem s THR 4 CO 0.02 -0.36 1.38 0.18 -0.54 0.00 0.00 174.62 175.29 2cem n LEU 5 N -3.19 3.62 0.09 4.79 4.77 -1.26 -4.57 117.00 121.25 2cem n LEU 5 Ca 0.07 -3.37 -0.00 0.00 -0.03 0.00 0.00 56.01 52.68 2cem n LEU 5 Cb 0.59 -0.56 0.30 0.00 -2.33 0.00 0.00 43.42 41.42 2cem n LEU 5 CO 0.57 0.95 0.78 -0.50 -1.33 0.00 0.00 177.39 177.86 2cem h TRP 6 N 1.12 0.31 -2.40 -1.77 4.06 -2.06 -3.44 115.95 111.78 2cem h TRP 6 Ca 0.08 -0.05 -0.53 0.00 2.06 0.00 0.00 58.89 60.45 2cem h TRP 6 Cb 1.41 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 29.36 2cem h TRP 6 CO 0.62 0.51 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.74 2cem s GLN 7 N -4.50 1.75 0.33 0.49 1.11 -1.26 -5.10 119.66 112.47 2cem s GLN 7 Ca -0.05 -1.97 -0.29 0.00 0.01 0.00 0.00 55.36 53.06 2cem s GLN 7 Cb 0.14 -1.18 -0.11 0.00 -1.01 0.00 0.00 33.01 30.85 2cem s GLN 7 CO 0.75 -0.11 1.48 1.03 0.01 0.00 0.00 175.29 178.46 2cem s ARG 8 N -3.80 4.17 -1.27 2.91 0.52 -1.26 -4.87 118.95 115.34 2cem s ARG 8 Ca 0.35 2.48 -0.18 0.00 -0.52 0.00 0.00 55.73 57.86 2cem s ARG 8 Cb 0.08 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.61 2cem s ARG 8 CO 0.16 -0.49 1.70 -1.25 0.02 0.00 0.00 175.30 175.44 2cem s PRO 9 N -1.40 3.96 -0.03 3.54 0.04 -1.26 -4.96 135.00 134.89 2cem s PRO 9 Ca 0.56 -1.97 -0.14 0.00 0.04 0.00 0.00 61.00 59.48 2cem s PRO 9 Cb -0.45 -5.49 -0.05 0.00 0.04 0.00 0.00 34.50 28.54 2cem s PRO 9 CO 0.55 -2.22 0.38 -0.51 0.04 0.00 0.00 177.00 175.24 2cem s LEU 10 N 4.11 4.43 0.14 -3.56 1.43 -1.26 -1.35 118.68 122.62 2cem s LEU 10 Ca 0.53 0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2cem s LEU 10 Cb 0.03 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2cem s LEU 10 CO 0.06 0.28 0.03 0.68 0.23 0.00 0.00 176.35 177.63 2cem s VAL 11 N -0.79 0.30 -0.03 -1.59 -7.23 0.26 -4.94 120.40 106.39 2cem s VAL 11 Ca 0.23 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.29 2cem s VAL 11 Cb -0.16 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2cem s VAL 11 CO 0.12 -0.52 0.51 -0.89 -0.31 0.00 0.00 175.10 174.00 2cem s THR 12 N -3.91 5.01 0.22 5.32 2.01 -1.26 -0.35 115.64 122.68 2cem s THR 12 Ca 0.22 1.04 0.10 0.00 0.31 0.00 0.00 61.69 63.36 2cem s THR 12 Cb 0.07 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2cem s THR 12 CO 0.01 0.45 -0.18 0.27 -0.69 0.00 0.00 174.62 174.48 2cem s ILE 13 N -0.26 2.06 -0.16 1.82 -4.36 0.96 -3.08 121.20 118.17 2cem s ILE 13 Ca 0.27 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2cem s ILE 13 Cb -0.17 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.47 2cem s ILE 13 CO 0.14 -0.44 -0.13 -0.75 0.24 0.00 0.00 174.94 174.01 2cem s LYS 14 N -3.36 2.21 -0.12 0.37 2.36 -0.29 -1.42 119.74 119.49 2cem s LYS 14 Ca 0.24 -0.64 -0.11 0.00 -2.55 0.00 0.00 55.97 52.90 2cem s LYS 14 Cb -0.04 -2.20 0.03 0.00 -1.05 0.00 0.00 37.83 34.58 2cem s LYS 14 CO 0.10 -0.30 0.33 -1.50 1.55 0.00 0.00 175.35 175.53 2cem s ILE 15 N 1.46 -0.00 -1.54 5.43 2.07 0.23 -1.93 121.20 126.92 2cem s ILE 15 Ca 0.03 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2cem s ILE 15 Cb -0.14 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2cem s ILE 15 CO -0.10 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 2cem n GLY 16 N 3.05 -0.33 2.14 1.50 0.00 -1.26 -0.38 105.19 109.90 2cem n GLY 16 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 2cem n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cem n GLY 17 N -0.89 0.45 3.46 -0.02 0.00 -1.26 -5.02 105.19 101.91 2cem n GLY 17 Ca -0.21 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2cem n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cem s GLN 18 N -0.50 1.66 -0.19 1.61 -0.21 0.48 -5.13 119.66 117.39 2cem s GLN 18 Ca 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 55.36 53.87 2cem s GLN 18 Cb 0.00 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.07 2cem s GLN 18 CO 0.00 0.41 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.04 2cem s LEU 19 N -2.74 3.12 0.10 2.90 1.43 -1.26 -0.60 118.68 121.63 2cem s LEU 19 Ca 0.22 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2cem s LEU 19 Cb -0.08 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2cem s LEU 19 CO 0.11 0.06 -0.08 -0.54 0.23 0.00 0.00 176.35 176.13 2cem s LYS 20 N 0.99 0.85 -0.11 1.70 1.02 -0.51 -4.97 119.74 118.71 2cem s LYS 20 Ca 0.01 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2cem s LYS 20 Cb -0.14 -0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2cem s LYS 20 CO 0.01 0.04 0.28 -2.00 -0.92 0.00 0.00 175.35 172.75 2cem s GLU 21 N -3.28 3.97 0.05 1.68 2.12 -1.26 -0.03 118.70 121.95 2cem s GLU 21 Ca 0.09 0.10 -0.00 0.00 0.36 0.00 0.00 54.97 55.51 2cem s GLU 21 Cb 0.01 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2cem s GLU 21 CO -0.02 0.49 -0.04 0.00 -0.54 0.00 0.00 175.26 175.15 2cem s ALA 22 N -0.29 0.50 -0.22 6.30 0.00 0.52 -4.51 121.76 124.07 2cem s ALA 22 Ca 0.17 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2cem s ALA 22 Cb -0.14 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2cem s ALA 22 CO 0.06 -0.31 0.26 -1.17 0.00 0.00 0.00 175.76 174.60 2cem s LEU 23 N -2.64 4.15 -0.46 0.00 2.96 0.23 -0.57 118.68 122.34 2cem s LEU 23 Ca 0.03 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 2cem s LEU 23 Cb 0.04 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.48 2cem s LEU 23 CO -0.07 0.02 1.21 -0.76 -1.32 0.00 0.00 176.35 175.42 2cem s LEU 24 N 1.07 3.62 -0.34 -0.68 1.43 -0.46 -0.32 118.68 123.00 2cem s LEU 24 Ca 0.13 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2cem s LEU 24 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2cem s LEU 24 CO 0.05 -1.30 0.06 -0.62 0.23 0.00 0.00 176.35 174.77 2cem s ASP 25 N 2.82 4.81 0.36 2.29 -1.08 -0.52 -4.76 116.67 120.58 2cem s ASP 25 Ca 0.51 -2.11 0.27 0.00 -0.52 0.00 0.00 52.55 50.70 2cem s ASP 25 Cb -0.09 -1.65 1.17 0.00 -1.46 0.00 0.00 42.92 40.90 2cem s ASP 25 CO 0.32 -0.39 1.80 0.71 0.52 0.00 0.00 175.17 178.13 2cem h THR 26 N 6.59 0.00 -0.51 1.71 1.35 -1.93 -2.03 112.91 118.08 2cem h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2cem h THR 26 Cb 1.02 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2cem h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2cem n GLY 27 N -0.21 1.57 3.35 5.82 0.00 -1.26 -4.83 105.19 109.63 2cem n GLY 27 Ca 0.01 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2cem n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cem s ALA 28 N -1.41 2.89 0.15 4.61 0.00 -0.76 -4.99 121.76 122.26 2cem s ALA 28 Ca 0.35 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 2cem s ALA 28 Cb 0.19 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.56 2cem s ALA 28 CO 0.22 -0.40 1.59 -0.44 0.00 0.00 0.00 175.76 176.73 2cem h ASP 29 N 8.04 0.90 -1.39 0.00 5.19 -1.88 0.91 116.42 128.20 2cem h ASP 29 Ca -0.40 -0.33 -0.62 0.00 -0.62 0.00 0.00 57.03 55.06 2cem h ASP 29 Cb 1.17 -0.24 -0.12 0.00 0.18 0.00 0.00 39.33 40.32 2cem h ASP 29 CO 0.60 1.02 -0.55 -1.81 -3.12 0.00 0.00 179.24 175.38 2cem s ASP 30 N -6.46 4.09 -0.18 6.45 1.01 -1.26 -3.26 116.67 117.05 2cem s ASP 30 Ca -0.12 -1.34 -0.07 0.00 0.71 0.00 0.00 52.55 51.73 2cem s ASP 30 Cb 0.12 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 2cem s ASP 30 CO 0.84 -0.57 0.06 -0.89 0.21 0.00 0.00 175.17 174.82 2cem s THR 31 N -2.71 4.73 -0.04 -1.27 2.01 -1.26 -3.10 115.64 114.00 2cem s THR 31 Ca 0.32 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2cem s THR 31 Cb 0.07 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.47 2cem s THR 31 CO 0.17 0.46 -0.02 0.54 -0.69 0.00 0.00 174.62 175.08 2cem s VAL 32 N 0.41 0.34 0.21 3.82 0.11 -0.56 -0.77 120.40 123.97 2cem s VAL 32 Ca 0.03 0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.18 2cem s VAL 32 Cb -0.13 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2cem s VAL 32 CO 0.00 0.19 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.09 2cem s LEU 33 N 1.08 2.88 0.82 2.54 1.43 0.69 -0.96 118.68 127.16 2cem s LEU 33 Ca -0.09 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2cem s LEU 33 Cb -0.14 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.66 2cem s LEU 33 CO -0.01 0.08 1.15 -1.61 0.23 0.00 0.00 176.35 176.18 2cem s GLU 34 N -3.07 1.67 -0.27 1.70 2.02 -1.26 -1.83 118.70 117.66 2cem s GLU 34 Ca 0.26 1.50 -0.44 0.00 0.02 0.00 0.00 54.97 56.31 2cem s GLU 34 Cb -0.08 -1.80 -0.20 0.00 0.10 0.00 0.00 34.13 32.15 2cem s GLU 34 CO 0.15 -2.14 1.35 -1.91 0.02 0.00 0.00 175.26 172.74 2cem n GLU 35 N -3.62 0.00 -3.69 1.61 4.07 -1.20 -4.62 120.64 113.19 2cem n GLU 35 Ca 0.11 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.14 2cem n GLU 35 Cb 0.52 -1.49 -0.02 0.00 -0.06 0.00 0.00 31.44 30.39 2cem n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cem s MET 36 N 1.63 1.36 -0.07 5.31 0.23 -1.26 -5.04 119.30 121.46 2cem s MET 36 Ca 0.98 -0.68 -0.11 0.00 -1.03 0.00 0.00 55.69 54.85 2cem s MET 36 Cb -1.39 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 32.37 2cem s MET 36 CO 0.70 -0.62 0.28 0.45 -2.03 0.00 0.00 175.02 173.80 2cem s SER 37 N -2.83 6.58 0.03 -1.18 0.15 -1.26 -5.03 113.70 110.16 2cem s SER 37 Ca 0.09 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.44 2cem s SER 37 Cb -0.03 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2cem s SER 37 CO -0.01 0.33 -0.06 -0.76 1.20 0.00 0.00 173.24 173.95 2cem s LEU 38 N -0.85 2.19 0.61 3.45 1.43 -1.26 -4.93 118.68 119.32 2cem s LEU 38 Ca 0.19 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2cem s LEU 38 Cb -0.14 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.93 2cem s LEU 38 CO 0.08 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 2cem s PRO 39 N -1.16 3.35 0.14 1.29 0.04 -1.26 -4.95 135.00 132.44 2cem s PRO 39 Ca -0.08 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2cem s PRO 39 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2cem s PRO 39 CO -0.00 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2cem n GLY 40 N -1.54 -2.97 3.85 0.56 0.00 -1.26 -4.97 105.19 98.87 2cem n GLY 40 Ca 0.08 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 2cem n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cem s ARG 41 N -0.69 3.71 0.09 1.61 3.03 -1.26 -5.09 118.95 120.35 2cem s ARG 41 Ca 0.00 0.86 -0.06 0.00 2.03 0.00 0.00 55.73 58.56 2cem s ARG 41 Cb 0.00 -2.10 -0.02 0.00 -1.03 0.00 0.00 34.95 31.81 2cem s ARG 41 CO 0.00 -0.48 0.13 1.67 -1.13 0.00 0.00 175.30 175.50 2cem s TRP 42 N -2.92 0.34 0.01 5.89 1.48 -1.26 -4.47 118.94 118.01 2cem s TRP 42 Ca 0.57 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 54.84 2cem s TRP 42 Cb -0.11 -0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 32.01 2cem s TRP 42 CO 0.44 -0.52 -0.07 0.21 -4.06 0.00 0.00 176.95 172.95 2cem s LYS 43 N -3.91 0.52 0.58 3.25 2.47 -0.84 -4.91 119.74 116.91 2cem s LYS 43 Ca 0.09 -0.43 -0.17 0.00 -1.56 0.00 0.00 55.97 53.89 2cem s LYS 43 Cb 0.06 -0.43 -0.04 0.00 -1.46 0.00 0.00 37.83 35.96 2cem s LYS 43 CO -0.08 0.11 1.09 -2.14 0.16 0.00 0.00 175.35 174.49 2cem s PRO 44 N -0.70 3.23 -0.06 4.03 0.02 -1.26 -0.00 135.00 140.25 2cem s PRO 44 Ca -0.02 1.41 -0.22 0.00 0.02 0.00 0.00 61.00 62.19 2cem s PRO 44 Cb -0.05 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.51 2cem s PRO 44 CO 0.00 -0.91 0.49 0.21 -0.33 0.00 0.00 177.00 176.46 2cem s LYS 45 N -3.72 0.81 -0.18 5.54 2.20 -0.56 -4.83 119.74 119.00 2cem s LYS 45 Ca 0.68 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 56.41 2cem s LYS 45 Cb -0.20 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2cem s LYS 45 CO 0.33 -0.22 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.41 2cem s MET 46 N -0.98 3.50 0.01 4.03 -1.94 -1.26 -0.94 119.30 121.72 2cem s MET 46 Ca -0.10 -0.59 0.08 0.00 -1.71 0.00 0.00 55.69 53.37 2cem s MET 46 Cb -0.03 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2cem s MET 46 CO 0.06 0.05 -0.26 0.96 -0.01 0.00 0.00 175.02 175.82 2cem s ILE 47 N 0.85 2.04 -0.02 2.53 -4.36 -0.85 -4.96 121.20 116.44 2cem s ILE 47 Ca -0.01 -1.22 0.05 0.00 -0.26 0.00 0.00 60.65 59.20 2cem s ILE 47 Cb -0.15 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 2cem s ILE 47 CO 0.01 0.46 -0.15 -0.83 0.24 0.00 0.00 174.94 174.67 2cem s GLY 48 N -0.91 1.55 0.00 6.27 0.00 -1.26 -1.68 107.32 111.29 2cem s GLY 48 Ca 0.10 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2cem s GLY 48 CO 0.01 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.84 2cem n GLY 49 N 2.03 5.40 3.74 0.20 0.00 0.31 -4.97 105.19 111.90 2cem n GLY 49 Ca -0.17 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2cem n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cem s ILE 50 N -0.84 3.38 0.00 -0.61 1.01 -1.26 -2.18 121.20 120.70 2cem s ILE 50 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2cem s ILE 50 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2cem s ILE 50 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2cem n GLY 51 N 1.88 2.01 0.00 6.18 0.00 -1.26 -4.97 105.19 109.04 2cem n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2cem n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cem n GLY 52 N -2.00 0.57 3.78 -0.02 0.00 -0.93 -5.07 105.19 101.53 2cem n GLY 52 Ca 0.00 -2.27 -0.26 0.00 0.00 0.00 0.00 46.02 43.49 2cem n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cem s PHE 53 N -0.16 3.12 0.08 1.61 0.40 -1.26 -0.53 117.98 121.24 2cem s PHE 53 Ca 0.00 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 2cem s PHE 53 Cb 0.00 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 2cem s PHE 53 CO 0.00 0.52 -0.11 0.96 0.70 0.00 0.00 175.22 177.29 2cem s ILE 54 N -1.74 0.89 -0.09 0.64 -4.36 -0.68 -4.97 121.20 110.90 2cem s ILE 54 Ca 0.31 -1.45 -0.13 0.00 -0.26 0.00 0.00 60.65 59.12 2cem s ILE 54 Cb -0.10 -1.14 -0.05 0.00 1.25 0.00 0.00 42.46 42.42 2cem s ILE 54 CO 0.23 -0.45 0.32 -0.75 0.24 0.00 0.00 174.94 174.53 2cem s LYS 55 N -2.30 3.97 0.18 0.37 2.20 -1.26 -2.00 119.74 120.90 2cem s LYS 55 Ca 0.00 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 2cem s LYS 55 Cb -0.06 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2cem s LYS 55 CO 0.01 0.52 0.06 0.14 -0.36 0.00 0.00 175.35 175.71 2cem s VAL 56 N -0.43 0.35 -0.15 4.02 -7.23 -0.12 -4.40 120.40 112.45 2cem s VAL 56 Ca 0.20 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 2cem s VAL 56 Cb -0.14 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2cem s VAL 56 CO 0.08 -0.30 0.11 -0.13 -0.31 0.00 0.00 175.10 174.55 2cem s ARG 57 N -4.02 3.68 -0.26 4.82 0.52 0.22 -1.49 118.95 122.41 2cem s ARG 57 Ca 0.29 -0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 2cem s ARG 57 Cb 0.07 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2cem s ARG 57 CO 0.06 0.55 0.11 -1.14 0.02 0.00 0.00 175.30 174.91 2cem s GLN 58 N -0.40 3.73 -0.16 3.54 0.74 1.00 -0.96 119.66 127.15 2cem s GLN 58 Ca 0.11 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 2cem s GLN 58 Cb -0.12 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 2cem s GLN 58 CO 0.01 -0.19 -0.10 0.71 -0.55 0.00 0.00 175.29 175.17 2cem s TYR 59 N 1.66 2.87 0.24 1.67 1.51 -0.50 -1.99 117.35 122.81 2cem s TYR 59 Ca 0.06 -0.78 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 2cem s TYR 59 Cb -0.15 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2cem s TYR 59 CO 0.06 -0.35 0.36 -0.51 -1.11 0.00 0.00 175.55 174.01 2cem s ASP 60 N 0.76 6.32 -1.32 2.29 1.01 -1.26 -0.22 116.67 124.25 2cem s ASP 60 Ca -0.04 0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.30 2cem s ASP 60 Cb -0.15 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 41.92 2cem s ASP 60 CO 0.01 -0.07 0.70 0.00 0.21 0.00 0.00 175.17 176.02 2cem n GLN 61 N -1.39 -4.91 -3.67 8.23 6.02 -1.15 -4.91 117.38 115.60 2cem n GLN 61 Ca -0.09 0.62 -0.36 0.00 -0.01 0.00 0.00 57.00 57.16 2cem n GLN 61 Cb 0.57 -5.18 -0.08 0.00 1.02 0.00 0.00 30.24 26.57 2cem n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2cem s ILE 62 N -3.66 5.38 0.15 5.09 -1.09 0.32 -4.78 121.20 122.61 2cem s ILE 62 Ca 0.03 0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 58.41 2cem s ILE 62 Cb -0.01 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.29 2cem s ILE 62 CO 0.81 0.41 1.08 -0.22 -1.23 0.00 0.00 174.94 175.79 2cem s LEU 63 N 0.55 4.48 0.04 2.97 0.20 -1.26 -2.08 118.68 123.58 2cem s LEU 63 Ca 0.10 2.02 -0.10 0.00 0.69 0.00 0.00 54.13 56.84 2cem s LEU 63 Cb -0.12 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2cem s LEU 63 CO 0.01 -0.21 0.20 -0.63 -0.29 0.00 0.00 176.35 175.43 2cem s ILE 64 N -0.08 0.11 -0.09 6.68 1.01 -0.02 -4.51 121.20 124.30 2cem s ILE 64 Ca 0.50 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2cem s ILE 64 Cb -0.28 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.30 2cem s ILE 64 CO 0.33 -0.49 -0.09 -0.70 0.00 0.00 0.00 174.94 173.99 2cem s GLU 65 N -2.56 1.53 -0.19 2.79 2.12 -0.81 -0.48 118.70 121.10 2cem s GLU 65 Ca -0.05 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2cem s GLU 65 Cb -0.01 -1.44 0.03 0.00 0.26 0.00 0.00 34.13 32.96 2cem s GLU 65 CO -0.04 -0.13 -0.19 0.42 -0.54 0.00 0.00 175.26 174.79 2cem s ILE 66 N 1.21 2.08 -1.59 -3.70 1.01 0.22 -1.14 121.20 119.30 2cem s ILE 66 Ca -0.04 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 2cem s ILE 66 Cb -0.14 -1.93 0.11 0.00 0.01 0.00 0.00 42.46 40.51 2cem s ILE 66 CO -0.03 0.45 0.86 0.00 0.00 0.00 0.00 174.94 176.23 2cem n GLY 68 N -1.59 2.07 3.60 0.00 0.00 -1.26 -5.01 105.19 103.00 2cem n GLY 68 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2cem n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cem s HIS 69 N -2.78 3.24 0.33 1.61 4.02 0.48 -5.07 115.29 117.12 2cem s HIS 69 Ca 0.00 0.35 -0.26 0.00 1.02 0.00 0.00 55.06 56.18 2cem s HIS 69 Cb 0.00 -2.59 -0.10 0.00 -1.02 0.00 0.00 32.58 28.87 2cem s HIS 69 CO 0.00 -0.26 0.95 0.15 1.02 0.00 0.00 174.74 176.60 2cem s LYS 70 N 2.07 4.55 0.20 1.40 1.02 -1.26 -0.61 119.74 127.12 2cem s LYS 70 Ca 0.15 1.33 -0.19 0.00 0.02 0.00 0.00 55.97 57.27 2cem s LYS 70 Cb -0.16 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2cem s LYS 70 CO 0.10 0.25 0.57 0.00 -0.92 0.00 0.00 175.35 175.35 2cem s ALA 71 N -1.64 -1.12 0.03 5.17 0.00 0.37 -4.85 121.76 119.73 2cem s ALA 71 Ca 0.51 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2cem s ALA 71 Cb -0.18 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2cem s ALA 71 CO 0.23 -0.84 -0.11 0.42 0.00 0.00 0.00 175.76 175.47 2cem s ILE 72 N -3.86 0.86 -1.19 0.00 1.01 -1.26 -0.84 121.20 115.92 2cem s ILE 72 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2cem s ILE 72 Cb -0.02 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2cem s ILE 72 CO -0.03 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2cem n GLY 73 N 2.03 -1.40 3.75 6.18 0.00 -0.88 -4.90 105.19 109.97 2cem n GLY 73 Ca -0.18 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2cem n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cem s THR 74 N -2.52 4.26 -0.07 2.61 2.01 -1.26 -0.52 115.64 120.14 2cem s THR 74 Ca 0.00 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.01 2cem s THR 74 Cb 0.00 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2cem s THR 74 CO 0.00 0.45 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.59 2cem s VAL 75 N -0.83 1.05 -0.02 3.82 1.01 0.69 -4.50 120.40 121.61 2cem s VAL 75 Ca 0.41 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2cem s VAL 75 Cb -0.25 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2cem s VAL 75 CO 0.30 0.34 0.20 -0.76 0.00 0.00 0.00 175.10 175.18 2cem s LEU 76 N 0.90 4.37 -0.09 3.92 1.43 0.05 -1.41 118.68 127.86 2cem s LEU 76 Ca -0.10 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2cem s LEU 76 Cb -0.15 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2cem s LEU 76 CO 0.01 0.29 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 2cem s VAL 77 N -1.27 1.18 0.00 -1.59 1.01 -0.13 -0.22 120.40 119.38 2cem s VAL 77 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2cem s VAL 77 Cb -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2cem s VAL 77 CO 0.15 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2cem n GLY 78 N 4.31 0.78 2.42 4.51 0.00 -0.76 -0.61 105.19 115.84 2cem n GLY 78 Ca -0.18 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 2cem n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cem n PRO 79 N 0.00 2.63 -3.24 1.61 -0.04 -1.26 -3.24 135.00 131.47 2cem n PRO 79 Ca 0.00 -1.64 -0.38 0.00 -0.04 0.00 0.00 63.50 61.44 2cem n PRO 79 Cb 0.00 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 2cem n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2cem s THR 80 N 2.63 4.69 -0.37 0.52 -1.32 -1.26 -4.97 115.64 115.57 2cem s THR 80 Ca 0.53 1.25 0.26 0.00 -1.21 0.00 0.00 61.69 62.52 2cem s THR 80 Cb 0.15 -3.91 0.28 0.00 -1.51 0.00 0.00 72.50 67.51 2cem s THR 80 CO -0.04 0.51 1.77 1.55 -2.21 0.00 0.00 174.62 176.20 2cem h PRO 81 N 4.37 0.00 -3.10 7.08 0.13 -1.98 -3.43 132.00 135.06 2cem h PRO 81 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2cem h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2cem h PRO 81 CO 0.64 0.00 -0.32 0.08 -0.23 0.00 0.00 178.00 178.17 2cem s VAL 82 N -3.38 0.06 0.02 1.56 1.01 -1.26 -5.10 120.40 113.30 2cem s VAL 82 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2cem s VAL 82 Cb 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2cem s VAL 82 CO 0.43 -0.25 1.23 0.20 0.00 0.00 0.00 175.10 176.72 2cem s ASN 83 N -1.18 7.03 -0.10 3.32 0.01 -1.26 -4.74 114.94 118.02 2cem s ASN 83 Ca -0.12 1.99 0.03 0.00 -0.71 0.00 0.00 52.86 54.04 2cem s ASN 83 Cb -0.05 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2cem s ASN 83 CO 0.03 -0.54 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.26 2cem s ILE 84 N 1.57 1.74 -0.36 0.60 1.01 -0.14 -0.60 121.20 125.03 2cem s ILE 84 Ca 0.59 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 2cem s ILE 84 Cb -0.29 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2cem s ILE 84 CO 0.27 0.49 0.25 -0.63 0.00 0.00 0.00 174.94 175.31 2cem s ILE 85 N 0.60 5.20 0.64 2.92 -1.09 0.57 -1.49 121.20 128.55 2cem s ILE 85 Ca -0.14 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2cem s ILE 85 Cb -0.17 -3.73 0.12 0.00 -1.58 0.00 0.00 42.46 37.11 2cem s ILE 85 CO 0.04 -0.08 0.88 0.61 -1.23 0.00 0.00 174.94 175.16 2cem n GLY 86 N 5.11 0.85 0.36 6.18 0.00 -1.18 -1.45 105.19 115.06 2cem n GLY 86 Ca -0.12 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 43.98 2cem n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cem h ARG 87 N 0.00 0.30 -0.08 1.61 3.08 -0.90 -1.29 114.38 117.11 2cem h ARG 87 Ca -0.29 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.76 2cem h ARG 87 Cb 1.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2cem h ARG 87 CO 0.33 0.20 0.07 -2.95 -1.07 0.00 0.00 179.97 176.55 2cem h ASN 88 N 0.31 0.00 0.00 7.04 -1.07 -1.80 -2.22 115.58 117.84 2cem h ASN 88 Ca 0.27 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.43 2cem h ASN 88 Cb 0.63 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.84 2cem h ASN 88 CO -0.06 0.00 -1.97 0.18 0.07 0.00 0.00 177.43 175.65 2cem n LEU 89 N -4.13 0.00 -0.08 6.14 4.77 -0.72 -4.42 117.00 118.56 2cem n LEU 89 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2cem n LEU 89 Cb 0.17 0.28 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 2cem n LEU 89 CO 0.31 0.28 1.01 -0.07 -1.33 0.00 0.00 177.39 177.59 2cem h LEU 90 N 0.00 0.65 -0.70 2.23 3.38 -0.96 -2.37 115.31 117.54 2cem h LEU 90 Ca -0.31 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2cem h LEU 90 Cb 1.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 2cem h LEU 90 CO 0.02 0.63 0.25 0.71 0.09 0.00 0.00 178.44 180.14 2cem h THR 91 N 0.69 1.25 -0.28 0.22 1.35 -1.63 -1.08 112.91 113.43 2cem h THR 91 Ca 0.16 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 2cem h THR 91 Cb 0.22 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 2cem h THR 91 CO -0.01 0.33 0.07 1.56 -0.25 0.00 0.00 175.52 177.22 2cem h GLN 92 N 1.01 0.40 -0.29 4.72 1.08 -1.64 -1.19 115.11 119.20 2cem h GLN 92 Ca 0.23 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2cem h GLN 92 Cb 0.25 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2cem h GLN 92 CO -0.01 0.37 0.00 0.44 -0.95 0.00 0.00 178.83 178.68 2cem n ILE 93 N -4.38 0.38 -2.31 2.54 -5.35 -1.14 -4.92 119.36 104.18 2cem n ILE 93 Ca 0.01 -0.47 -0.08 0.00 -0.27 0.00 0.00 62.75 61.94 2cem n ILE 93 Cb 0.16 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 2cem n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cem n GLY 94 N 1.17 0.10 3.73 3.28 0.00 -0.45 -5.02 105.19 108.01 2cem n GLY 94 Ca 0.15 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2cem n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cem s THR 96 N -0.15 0.20 -0.08 0.00 -4.23 -1.26 -4.67 115.64 105.45 2cem s THR 96 Ca 0.46 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 2cem s THR 96 Cb -0.24 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 2cem s THR 96 CO 0.30 -0.90 0.33 -0.76 -0.54 0.00 0.00 174.62 173.05 2cem s LEU 97 N -2.78 4.37 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.13 2cem s LEU 97 Ca 0.05 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2cem s LEU 97 Cb 0.06 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2cem s LEU 97 CO -0.09 0.24 -0.01 0.20 0.23 0.00 0.00 176.35 176.92 2cem s ASN 98 N -0.44 0.23 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.60 2cem s ASN 98 Ca 0.20 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 2cem s ASN 98 Cb -0.15 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 2cem s ASN 98 CO 0.09 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.81