#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hos s GLN 2 N 0.00 1.46 -0.28 0.54 0.74 -1.26 -5.11 119.66 115.75 1hos s GLN 2 Ca 0.00 -0.60 -0.07 0.00 0.05 0.00 0.00 55.36 54.73 1hos s GLN 2 Cb 0.00 -2.13 -0.00 0.00 1.10 0.00 0.00 33.01 31.97 1hos s GLN 2 CO 0.00 -0.47 0.08 0.42 -0.55 0.00 0.00 175.29 174.77 1hos s ILE 3 N 1.59 4.11 0.57 -2.34 1.01 -1.26 -5.10 121.20 119.78 1hos s ILE 3 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1hos s ILE 3 Cb -0.16 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1hos s ILE 3 CO -0.08 0.17 0.97 0.42 0.00 0.00 0.00 174.94 176.42 1hos s THR 4 N 1.55 4.72 -0.47 2.92 -4.23 -1.26 -4.99 115.64 113.87 1hos s THR 4 Ca 0.04 0.81 0.03 0.00 -1.18 0.00 0.00 61.69 61.39 1hos s THR 4 Cb -0.16 -3.84 0.62 0.00 1.34 0.00 0.00 72.50 70.46 1hos s THR 4 CO 0.03 -0.99 1.89 0.18 -0.54 0.00 0.00 174.62 175.19 1hos n LEU 5 N -2.40 6.65 0.24 4.79 4.77 -1.26 -4.33 117.00 125.45 1hos n LEU 5 Ca 0.05 -3.75 0.13 0.00 -0.03 0.00 0.00 56.01 52.41 1hos n LEU 5 Cb 0.54 -0.84 0.46 0.00 -2.33 0.00 0.00 43.42 41.26 1hos n LEU 5 CO 0.55 1.15 0.87 -0.50 -1.33 0.00 0.00 177.39 178.13 1hos h TRP 6 N 1.18 0.00 -3.51 -1.77 4.06 -2.05 -3.43 115.95 110.43 1hos h TRP 6 Ca 0.59 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 61.23 1hos h TRP 6 Cb 2.42 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 30.44 1hos h TRP 6 CO 1.52 0.09 -0.68 1.14 -3.56 0.00 0.00 178.44 176.94 1hos s GLN 7 N -3.51 1.12 0.28 0.49 0.00 -1.26 -5.10 119.66 111.67 1hos s GLN 7 Ca 0.03 -1.52 -0.30 0.00 -0.00 0.00 0.00 55.36 53.57 1hos s GLN 7 Cb 0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 33.01 32.48 1hos s GLN 7 CO 0.61 -0.03 1.47 0.54 0.00 0.00 0.00 175.29 177.88 1hos n ARG 8 N -0.25 2.34 -2.42 9.60 1.74 -1.26 -4.84 116.66 121.56 1hos n ARG 8 Ca -0.08 0.83 -0.38 0.00 -0.77 0.00 0.00 57.85 57.44 1hos n ARG 8 Cb 0.62 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 1hos n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hos s PRO 9 N -0.71 3.51 -0.09 5.56 0.04 -1.26 -4.95 135.00 137.09 1hos s PRO 9 Ca 0.64 -1.67 -0.12 0.00 0.04 0.00 0.00 61.00 59.89 1hos s PRO 9 Cb -0.57 -5.43 -0.05 0.00 0.04 0.00 0.00 34.50 28.49 1hos s PRO 9 CO 0.51 -2.78 0.30 -0.51 0.04 0.00 0.00 177.00 174.57 1hos s LEU 10 N 6.35 4.37 0.17 -3.56 1.43 -1.26 -0.61 118.68 125.57 1hos s LEU 10 Ca 0.58 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1hos s LEU 10 Cb 0.02 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1hos s LEU 10 CO 0.08 0.27 -0.02 0.54 0.23 0.00 0.00 176.35 177.46 1hos s VAL 11 N -0.54 0.78 -0.02 -1.59 0.11 0.12 -4.89 120.40 114.38 1hos s VAL 11 Ca 0.19 -1.99 -0.21 0.00 -2.93 0.00 0.00 61.98 57.04 1hos s VAL 11 Cb -0.14 -2.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1hos s VAL 11 CO 0.08 -0.52 0.61 -0.89 -3.33 0.00 0.00 175.10 171.05 1hos s THR 12 N -3.58 4.94 0.13 5.04 2.01 -1.26 -1.33 115.64 121.58 1hos s THR 12 Ca 0.23 1.27 0.09 0.00 0.31 0.00 0.00 61.69 63.59 1hos s THR 12 Cb 0.06 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1hos s THR 12 CO 0.03 0.39 -0.22 0.27 -0.69 0.00 0.00 174.62 174.40 1hos s ILE 13 N 0.01 1.92 -0.18 1.82 -4.36 -0.29 -1.39 121.20 118.73 1hos s ILE 13 Ca 0.32 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1hos s ILE 13 Cb -0.18 -1.76 0.03 0.00 1.25 0.00 0.00 42.46 41.80 1hos s ILE 13 CO 0.17 -0.08 -0.13 -0.75 0.24 0.00 0.00 174.94 174.39 1hos s LYS 14 N -2.17 2.28 -0.06 0.37 2.20 0.05 -1.82 119.74 120.59 1hos s LYS 14 Ca 0.11 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 1hos s LYS 14 Cb -0.09 -2.36 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1hos s LYS 14 CO 0.06 -0.34 0.14 -1.50 -0.36 0.00 0.00 175.35 173.35 1hos s ILE 15 N 1.39 -0.04 -1.47 5.43 2.07 -0.30 -1.39 121.20 126.89 1hos s ILE 15 Ca 0.01 0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1hos s ILE 15 Cb -0.15 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.26 1hos s ILE 15 CO -0.10 0.07 0.58 0.61 -1.91 0.00 0.00 174.94 174.19 1hos n GLY 16 N 4.07 -0.30 2.79 1.50 0.00 -1.26 -0.71 105.19 111.27 1hos n GLY 16 Ca -0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1hos n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hos n GLY 17 N -1.80 0.64 3.46 -0.02 0.00 -1.26 -4.99 105.19 101.21 1hos n GLY 17 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1hos n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hos s GLN 18 N -0.28 1.64 -0.12 1.61 -0.21 0.11 -5.11 119.66 117.29 1hos s GLN 18 Ca 0.00 -1.56 -0.03 0.00 0.02 0.00 0.00 55.36 53.80 1hos s GLN 18 Cb 0.00 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 1hos s GLN 18 CO 0.00 0.39 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.02 1hos s LEU 19 N -2.92 3.33 0.09 2.90 1.43 -1.26 -1.15 118.68 121.10 1hos s LEU 19 Ca 0.24 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1hos s LEU 19 Cb -0.07 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1hos s LEU 19 CO 0.12 0.25 0.16 -0.54 0.23 0.00 0.00 176.35 176.57 1hos s LYS 20 N -0.14 0.84 -0.07 1.70 1.02 -0.75 -5.00 119.74 117.34 1hos s LYS 20 Ca 0.03 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1hos s LYS 20 Cb -0.13 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1hos s LYS 20 CO 0.02 -0.26 0.04 -1.21 -0.92 0.00 0.00 175.35 173.02 1hos s GLU 21 N -3.89 3.06 0.04 1.68 2.02 -1.26 -1.13 118.70 119.21 1hos s GLU 21 Ca 0.08 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1hos s GLU 21 Cb 0.05 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1hos s GLU 21 CO -0.09 0.70 -0.05 0.00 0.02 0.00 0.00 175.26 175.84 1hos s ALA 22 N -0.97 0.41 -0.04 5.21 0.00 -0.44 -4.57 121.76 121.35 1hos s ALA 22 Ca 0.16 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1hos s ALA 22 Cb -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1hos s ALA 22 CO 0.05 -0.15 0.96 -1.17 0.00 0.00 0.00 175.76 175.45 1hos s LEU 23 N -1.85 4.33 -0.59 0.00 2.96 -0.61 -0.70 118.68 122.22 1hos s LEU 23 Ca -0.08 1.58 -0.26 0.00 -0.22 0.00 0.00 54.13 55.15 1hos s LEU 23 Cb -0.06 -3.52 0.04 0.00 0.50 0.00 0.00 46.19 43.15 1hos s LEU 23 CO -0.02 -0.30 1.08 -0.76 -1.32 0.00 0.00 176.35 175.03 1hos s LEU 24 N 1.27 3.77 -0.30 -0.68 1.02 0.22 -1.70 118.68 122.28 1hos s LEU 24 Ca 0.50 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.43 1hos s LEU 24 Cb -0.20 -2.91 0.06 0.00 0.02 0.00 0.00 46.19 43.16 1hos s LEU 24 CO 0.24 -1.40 -0.01 -0.62 0.02 0.00 0.00 176.35 174.58 1hos s ASP 25 N 3.03 4.80 0.11 2.29 2.15 -0.24 -4.82 116.67 123.98 1hos s ASP 25 Ca 0.35 -1.45 0.20 0.00 0.43 0.00 0.00 52.55 52.09 1hos s ASP 25 Cb -0.10 -1.67 0.82 0.00 -0.30 0.00 0.00 42.92 41.67 1hos s ASP 25 CO 0.21 -0.28 1.62 0.35 -0.17 0.00 0.00 175.17 176.90 1hos n THR 26 N 4.54 0.81 -0.39 1.71 -2.24 -1.26 -2.53 114.28 114.91 1hos n THR 26 Ca -0.11 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1hos n THR 26 Cb 0.43 -0.98 0.33 0.00 -2.10 0.00 0.00 70.33 68.01 1hos n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hos n GLY 27 N 0.24 2.46 3.13 3.38 0.00 -1.26 -4.83 105.19 108.32 1hos n GLY 27 Ca 0.03 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1hos n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hos s ALA 28 N -1.54 2.17 0.16 4.61 0.00 -1.05 -4.98 121.76 121.14 1hos s ALA 28 Ca 0.48 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1hos s ALA 28 Cb 0.29 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1hos s ALA 28 CO 0.27 -0.14 1.41 -0.44 0.00 0.00 0.00 175.76 176.86 1hos h ASP 29 N 7.54 0.55 -1.89 0.00 3.32 -1.88 0.44 116.42 124.51 1hos h ASP 29 Ca -0.36 -0.36 -0.51 0.00 0.02 0.00 0.00 57.03 55.81 1hos h ASP 29 Cb 1.17 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 1hos h ASP 29 CO 0.57 1.11 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.90 1hos s ASP 30 N -7.00 5.09 -0.20 6.45 1.01 -1.26 -2.26 116.67 118.50 1hos s ASP 30 Ca -0.06 -0.57 -0.10 0.00 0.71 0.00 0.00 52.55 52.52 1hos s ASP 30 Cb 0.10 -0.91 -0.05 0.00 1.01 0.00 0.00 42.92 43.07 1hos s ASP 30 CO 0.85 -0.31 0.15 -0.89 0.21 0.00 0.00 175.17 175.18 1hos s THR 31 N -2.33 5.40 -0.07 -1.27 2.01 -1.26 -3.14 115.64 114.97 1hos s THR 31 Ca 0.39 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1hos s THR 31 Cb -0.05 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1hos s THR 31 CO 0.25 0.42 -0.08 0.54 -0.69 0.00 0.00 174.62 175.07 1hos s VAL 32 N 0.46 0.86 0.27 3.82 0.11 -0.62 -1.72 120.40 123.59 1hos s VAL 32 Ca 0.09 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1hos s VAL 32 Cb -0.11 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1hos s VAL 32 CO -0.01 0.31 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.27 1hos s LEU 33 N 1.16 3.04 1.01 2.54 1.43 0.36 -0.69 118.68 127.52 1hos s LEU 33 Ca -0.06 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1hos s LEU 33 Cb -0.14 -1.55 0.15 0.00 0.03 0.00 0.00 46.19 44.68 1hos s LEU 33 CO -0.02 -0.00 0.80 -0.62 0.23 0.00 0.00 176.35 176.74 1hos n GLU 34 N -0.84 -1.04 -2.27 1.70 1.02 -1.26 -1.43 120.64 116.52 1hos n GLU 34 Ca -0.06 -0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.40 1hos n GLU 34 Cb 0.59 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 1hos n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1hos s GLU 35 N -4.19 4.31 0.34 3.49 2.12 -1.22 -4.48 118.70 119.08 1hos s GLU 35 Ca 0.64 1.91 0.05 0.00 0.36 0.00 0.00 54.97 57.93 1hos s GLU 35 Cb -0.22 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 1hos s GLU 35 CO 0.63 -0.51 0.18 0.00 -0.54 0.00 0.00 175.26 175.02 1hos n MET 36 N 5.04 0.52 -3.55 4.30 0.00 -1.26 -5.05 117.12 117.13 1hos n MET 36 Ca 0.12 -3.08 -0.41 0.00 0.00 0.00 0.00 57.70 54.33 1hos n MET 36 Cb 0.44 1.97 -0.10 0.00 0.00 0.00 0.00 33.22 35.53 1hos n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1hos s SER 37 N -3.21 5.80 -0.09 3.17 0.15 -1.26 -5.01 113.70 113.25 1hos s SER 37 Ca 0.25 -1.27 0.03 0.00 0.70 0.00 0.00 55.95 55.66 1hos s SER 37 Cb 0.01 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1hos s SER 37 CO 0.18 -0.51 -0.18 -0.22 1.20 0.00 0.00 173.24 173.71 1hos s LEU 38 N 1.53 2.49 0.39 3.45 2.96 -1.26 -5.01 118.68 123.23 1hos s LEU 38 Ca 0.03 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 1hos s LEU 38 Cb -0.22 -1.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.86 1hos s LEU 38 CO 0.05 0.22 1.06 -2.16 -1.32 0.00 0.00 176.35 174.20 1hos s PRO 39 N 0.02 4.19 0.00 0.98 0.04 -1.26 -4.99 135.00 133.98 1hos s PRO 39 Ca -0.06 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1hos s PRO 39 Cb -0.15 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1hos s PRO 39 CO 0.05 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1hos n GLY 40 N 0.43 0.31 3.89 0.56 0.00 -1.26 -5.06 105.19 104.06 1hos n GLY 40 Ca 0.05 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 1hos n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hos s ARG 41 N -0.22 3.28 -0.12 1.61 3.52 -1.26 -5.14 118.95 120.62 1hos s ARG 41 Ca 0.00 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1hos s ARG 41 Cb 0.00 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.55 1hos s ARG 41 CO 0.00 0.54 0.24 1.67 -0.81 0.00 0.00 175.30 176.94 1hos s TRP 42 N -1.66 -0.37 0.59 5.12 1.48 -1.26 -4.76 118.94 118.08 1hos s TRP 42 Ca 0.33 0.88 -0.17 0.00 -1.06 0.00 0.00 56.10 56.08 1hos s TRP 42 Cb -0.11 -0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.11 1hos s TRP 42 CO 0.27 -0.32 1.11 0.15 -4.06 0.00 0.00 176.95 174.10 1hos s LYS 43 N 2.15 3.18 0.63 3.25 -0.14 -0.70 -4.65 119.74 123.46 1hos s LYS 43 Ca -0.01 1.47 -0.16 0.00 -1.36 0.00 0.00 55.97 55.90 1hos s LYS 43 Cb -0.12 -1.99 -0.02 0.00 -1.68 0.00 0.00 37.83 34.02 1hos s LYS 43 CO -0.08 -0.96 1.12 -2.14 -0.76 0.00 0.00 175.35 172.53 1hos s PRO 44 N -3.67 2.94 0.23 -1.68 0.02 -1.26 -0.49 135.00 131.08 1hos s PRO 44 Ca 0.69 1.47 -0.22 0.00 0.02 0.00 0.00 61.00 62.96 1hos s PRO 44 Cb -0.21 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.38 1hos s PRO 44 CO 0.33 -1.16 0.78 0.21 -0.33 0.00 0.00 177.00 176.83 1hos s LYS 45 N -3.85 1.57 0.01 5.54 2.20 -1.05 -4.77 119.74 119.40 1hos s LYS 45 Ca 0.69 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1hos s LYS 45 Cb -0.22 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1hos s LYS 45 CO 0.37 -0.72 -0.02 -1.64 -0.36 0.00 0.00 175.35 172.99 1hos s MET 46 N -3.72 0.24 0.19 4.03 -1.94 -1.26 -1.14 119.30 115.70 1hos s MET 46 Ca 0.11 -0.46 0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1hos s MET 46 Cb -0.04 0.09 -0.05 0.00 2.01 0.00 0.00 34.83 36.84 1hos s MET 46 CO 0.04 -0.04 -0.08 0.96 -0.01 0.00 0.00 175.02 175.89 1hos s ILE 47 N -1.12 1.24 0.27 2.53 -4.36 -0.21 -4.92 121.20 114.63 1hos s ILE 47 Ca -0.12 -2.08 0.12 0.00 -0.26 0.00 0.00 60.65 58.30 1hos s ILE 47 Cb -0.08 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 1hos s ILE 47 CO -0.01 -0.58 -0.20 -0.83 0.24 0.00 0.00 174.94 173.56 1hos s GLY 48 N -3.24 1.84 0.00 6.27 0.00 -1.26 -1.34 107.32 109.58 1hos s GLY 48 Ca 0.22 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1hos s GLY 48 CO 0.04 -1.92 0.00 0.61 0.00 0.00 0.00 173.10 171.83 1hos n GLY 49 N -0.52 4.29 3.89 0.20 0.00 0.25 -4.99 105.19 108.31 1hos n GLY 49 Ca -0.06 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1hos n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hos s ILE 50 N 0.80 5.08 0.00 -0.61 -4.36 -1.26 -4.08 121.20 116.76 1hos s ILE 50 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.61 1hos s ILE 50 Cb 0.00 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.09 1hos s ILE 50 CO 0.00 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1hos n GLY 51 N 0.07 2.75 0.00 6.27 0.00 -1.26 -4.86 105.19 108.17 1hos n GLY 51 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1hos n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hos n GLY 52 N 0.00 -0.52 3.12 -0.02 0.00 -1.26 -5.10 105.19 101.41 1hos n GLY 52 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1hos n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hos s PHE 53 N -3.60 1.10 0.17 1.61 -0.71 -1.26 -0.58 117.98 114.72 1hos s PHE 53 Ca 0.00 -0.35 0.07 0.00 -1.04 0.00 0.00 56.93 55.62 1hos s PHE 53 Cb 0.00 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1hos s PHE 53 CO 0.00 0.02 -0.15 0.96 -1.34 0.00 0.00 175.22 174.70 1hos s ILE 54 N -0.85 1.64 -0.11 -4.49 -4.36 -0.45 -4.96 121.20 107.62 1hos s ILE 54 Ca 0.00 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 1hos s ILE 54 Cb -0.08 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 1hos s ILE 54 CO 0.01 -0.48 0.30 -0.75 0.24 0.00 0.00 174.94 174.26 1hos s LYS 55 N -3.18 4.02 0.22 0.37 2.36 -1.26 -1.04 119.74 121.23 1hos s LYS 55 Ca 0.17 0.15 0.05 0.00 -2.55 0.00 0.00 55.97 53.79 1hos s LYS 55 Cb -0.03 -3.33 -0.05 0.00 -1.05 0.00 0.00 37.83 33.37 1hos s LYS 55 CO 0.06 0.45 -0.05 0.14 1.55 0.00 0.00 175.35 177.50 1hos s VAL 56 N -0.21 1.26 -0.31 4.02 -7.23 -0.29 -4.58 120.40 113.06 1hos s VAL 56 Ca 0.18 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 1hos s VAL 56 Cb -0.14 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1hos s VAL 56 CO 0.07 -0.42 0.22 -0.13 -0.31 0.00 0.00 175.10 174.52 1hos s ARG 57 N -3.79 3.75 -0.18 4.82 0.52 -0.06 -2.53 118.95 121.48 1hos s ARG 57 Ca 0.26 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.73 1hos s ARG 57 Cb 0.04 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.78 1hos s ARG 57 CO 0.08 -0.30 0.98 -0.65 0.02 0.00 0.00 175.30 175.43 1hos s GLN 58 N 1.75 4.32 -0.13 3.54 -0.21 0.35 -1.77 119.66 127.51 1hos s GLN 58 Ca 0.07 1.29 -0.01 0.00 0.02 0.00 0.00 55.36 56.73 1hos s GLN 58 Cb -0.17 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1hos s GLN 58 CO 0.11 -0.46 -0.10 0.71 -2.12 0.00 0.00 175.29 173.43 1hos s TYR 59 N 2.59 2.88 0.19 0.91 2.02 -0.42 -1.72 117.35 123.81 1hos s TYR 59 Ca 0.44 -0.46 0.11 0.00 -0.37 0.00 0.00 57.07 56.79 1hos s TYR 59 Cb -0.16 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1hos s TYR 59 CO 0.11 -0.10 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.24 1hos s ASP 60 N 0.22 3.41 -1.12 2.29 1.11 -1.26 -1.09 116.67 120.23 1hos s ASP 60 Ca -0.06 -0.86 -0.04 0.00 0.18 0.00 0.00 52.55 51.77 1hos s ASP 60 Cb -0.15 -0.25 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1hos s ASP 60 CO 0.04 0.12 0.96 0.00 1.18 0.00 0.00 175.17 177.47 1hos n GLN 61 N 0.30 -6.39 -3.70 8.23 1.13 -0.94 -4.91 117.38 111.10 1hos n GLN 61 Ca -0.13 0.74 -0.37 0.00 -1.94 0.00 0.00 57.00 55.30 1hos n GLN 61 Cb 0.56 -5.48 -0.07 0.00 0.11 0.00 0.00 30.24 25.37 1hos n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hos s ILE 62 N -3.30 5.35 0.07 5.09 -1.09 0.44 -4.77 121.20 122.98 1hos s ILE 62 Ca 0.24 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.92 1hos s ILE 62 Cb -0.11 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1hos s ILE 62 CO 0.64 0.54 0.50 -0.22 -1.23 0.00 0.00 174.94 175.16 1hos s LEU 63 N -0.52 4.45 -0.15 2.97 2.96 -1.26 -0.83 118.68 126.30 1hos s LEU 63 Ca 0.16 1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 55.07 1hos s LEU 63 Cb -0.13 -2.90 0.05 0.00 0.50 0.00 0.00 46.19 43.72 1hos s LEU 63 CO 0.05 0.24 0.36 -0.51 -1.32 0.00 0.00 176.35 175.17 1hos s ILE 64 N -1.22 -0.03 -0.38 6.68 2.07 -0.20 -4.50 121.20 123.62 1hos s ILE 64 Ca 0.30 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.49 1hos s ILE 64 Cb -0.17 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.89 1hos s ILE 64 CO 0.17 0.05 0.38 -0.70 -1.91 0.00 0.00 174.94 172.92 1hos s GLU 65 N 1.36 3.32 -0.19 3.50 2.12 -0.48 -1.28 118.70 127.05 1hos s GLU 65 Ca -0.09 -0.63 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 1hos s GLU 65 Cb -0.09 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1hos s GLU 65 CO -0.11 -0.67 0.10 0.42 -0.54 0.00 0.00 175.26 174.46 1hos s ILE 66 N 2.01 5.15 -1.39 -3.70 1.01 0.26 -0.77 121.20 123.77 1hos s ILE 66 Ca 0.11 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 1hos s ILE 66 Cb -0.17 -3.33 0.16 0.00 0.01 0.00 0.00 42.46 39.13 1hos s ILE 66 CO 0.12 0.46 0.39 0.00 0.00 0.00 0.00 174.94 175.92 1hos n GLY 68 N -1.09 2.65 3.70 0.00 0.00 -1.26 -4.98 105.19 104.21 1hos n GLY 68 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1hos n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hos s HIS 69 N -2.37 3.52 0.12 1.61 4.02 0.94 -5.05 115.29 118.08 1hos s HIS 69 Ca 0.00 1.20 -0.01 0.00 1.02 0.00 0.00 55.06 57.28 1hos s HIS 69 Cb 0.00 -2.84 -0.04 0.00 -1.02 0.00 0.00 32.58 28.68 1hos s HIS 69 CO 0.00 -0.01 0.29 0.15 1.02 0.00 0.00 174.74 176.19 1hos s LYS 70 N 1.19 3.49 0.17 1.40 1.02 -1.26 -0.57 119.74 125.18 1hos s LYS 70 Ca 0.36 -0.39 -0.12 0.00 0.02 0.00 0.00 55.97 55.84 1hos s LYS 70 Cb -0.17 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1hos s LYS 70 CO 0.16 0.53 0.38 0.00 -0.92 0.00 0.00 175.35 175.49 1hos s ALA 71 N -1.65 -0.39 -0.03 5.17 0.00 -0.40 -4.88 121.76 119.57 1hos s ALA 71 Ca 0.37 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1hos s ALA 71 Cb -0.12 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1hos s ALA 71 CO 0.28 -0.71 0.05 0.42 0.00 0.00 0.00 175.76 175.80 1hos s ILE 72 N -3.93 -0.07 0.11 0.00 1.01 -1.26 -1.03 121.20 116.03 1hos s ILE 72 Ca 0.14 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 1hos s ILE 72 Cb 0.02 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.40 1hos s ILE 72 CO -0.01 0.10 0.43 0.61 0.00 0.00 0.00 174.94 176.07 1hos n GLY 73 N 4.36 1.14 3.75 6.18 0.00 -0.01 -4.87 105.19 115.74 1hos n GLY 73 Ca -0.24 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1hos n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hos s THR 74 N -2.41 4.27 -0.07 2.61 2.01 -1.26 -0.42 115.64 120.36 1hos s THR 74 Ca 0.09 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.12 1hos s THR 74 Cb -0.02 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.22 1hos s THR 74 CO 0.03 0.44 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 1hos s VAL 75 N -0.77 1.03 0.01 3.82 1.01 -0.25 -4.56 120.40 120.68 1hos s VAL 75 Ca 0.42 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1hos s VAL 75 Cb -0.25 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1hos s VAL 75 CO 0.30 0.34 0.29 -0.76 0.00 0.00 0.00 175.10 175.27 1hos s LEU 76 N 0.81 4.38 -0.02 3.92 1.43 -0.70 -1.31 118.68 127.20 1hos s LEU 76 Ca -0.12 0.63 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 1hos s LEU 76 Cb -0.15 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1hos s LEU 76 CO 0.02 0.26 -0.23 -0.69 0.23 0.00 0.00 176.35 175.93 1hos s VAL 77 N -1.27 1.85 -0.79 -1.59 1.01 -0.73 -0.49 120.40 118.39 1hos s VAL 77 Ca 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1hos s VAL 77 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1hos s VAL 77 CO 0.15 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1hos n GLY 78 N 2.49 -1.18 3.44 4.51 0.00 -0.51 -0.88 105.19 113.06 1hos n GLY 78 Ca -0.16 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1hos n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hos s PRO 79 N -0.32 3.38 -0.03 1.61 0.04 -1.26 -3.39 135.00 135.03 1hos s PRO 79 Ca 0.00 -1.40 0.04 0.00 0.04 0.00 0.00 61.00 59.68 1hos s PRO 79 Cb 0.00 -4.62 -0.00 0.00 0.04 0.00 0.00 34.50 29.92 1hos s PRO 79 CO 0.00 -1.77 -0.15 -0.08 0.04 0.00 0.00 177.00 175.05 1hos s THR 80 N 3.16 1.21 -1.68 1.26 -1.32 -1.26 -5.04 115.64 111.98 1hos s THR 80 Ca 0.27 -0.61 0.26 0.00 -1.21 0.00 0.00 61.69 60.39 1hos s THR 80 Cb -0.11 -1.04 0.57 0.00 -1.51 0.00 0.00 72.50 70.41 1hos s THR 80 CO -0.01 0.35 1.87 -0.81 -2.21 0.00 0.00 174.62 173.81 1hos n PRO 81 N 3.08 0.56 -3.86 7.08 -0.04 -1.26 -4.64 135.00 135.91 1hos n PRO 81 Ca -0.17 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1hos n PRO 81 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1hos n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hos s VAL 82 N -2.32 0.08 0.27 0.52 1.01 -1.26 -5.10 120.40 113.60 1hos s VAL 82 Ca 0.30 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1hos s VAL 82 Cb 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 1hos s VAL 82 CO 0.35 -0.36 0.78 0.20 0.00 0.00 0.00 175.10 176.07 1hos s ASN 83 N -1.33 7.05 -0.05 3.32 0.01 -1.26 -4.61 114.94 118.07 1hos s ASN 83 Ca -0.14 1.48 0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1hos s ASN 83 Cb -0.07 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1hos s ASN 83 CO 0.02 -0.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.79 1hos s ILE 84 N -1.66 1.19 -0.25 0.60 1.01 0.13 -1.57 121.20 120.65 1hos s ILE 84 Ca 0.47 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 1hos s ILE 84 Cb -0.15 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1hos s ILE 84 CO 0.20 0.36 0.02 -0.63 0.00 0.00 0.00 174.94 174.90 1hos s ILE 85 N 0.30 3.81 0.15 2.92 -1.09 -0.69 -1.58 121.20 125.02 1hos s ILE 85 Ca -0.08 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 1hos s ILE 85 Cb -0.13 -2.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1hos s ILE 85 CO 0.02 0.30 0.19 0.61 -1.23 0.00 0.00 174.94 174.83 1hos n GLY 86 N 4.85 2.16 0.28 6.18 0.00 -1.19 -1.08 105.19 116.40 1hos n GLY 86 Ca -0.16 -2.17 0.17 0.00 0.00 0.00 0.00 46.02 43.86 1hos n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hos h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.93 -0.49 114.38 117.65 1hos h ARG 87 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1hos h ARG 87 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1hos h ARG 87 CO 0.11 0.05 -0.12 -2.95 -1.07 0.00 0.00 179.97 175.99 1hos h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.69 -2.75 115.58 117.10 1hos h ASN 88 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 1hos h ASN 88 Cb 0.37 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.57 1hos h ASN 88 CO 0.01 0.12 -1.99 0.18 0.07 0.00 0.00 177.43 175.81 1hos n LEU 89 N -3.65 1.95 0.13 6.14 4.77 -0.40 -4.49 117.00 121.44 1hos n LEU 89 Ca -0.02 -0.06 0.19 0.00 -0.03 0.00 0.00 56.01 56.09 1hos n LEU 89 Cb 0.24 -0.29 0.77 0.00 -2.33 0.00 0.00 43.42 41.81 1hos n LEU 89 CO 0.30 0.64 1.17 -0.07 -1.33 0.00 0.00 177.39 178.10 1hos h LEU 90 N 0.00 0.00 -0.28 2.23 3.38 -1.13 0.71 115.31 120.22 1hos h LEU 90 Ca -0.39 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 1hos h LEU 90 Cb 1.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1hos h LEU 90 CO -0.03 0.00 -0.88 0.71 0.09 0.00 0.00 178.44 178.33 1hos h THR 91 N 0.00 1.54 0.00 0.22 1.35 -1.71 -1.24 112.91 113.06 1hos h THR 91 Ca 0.16 -2.74 -0.03 0.00 -0.55 0.00 0.00 66.41 63.25 1hos h THR 91 Cb 0.83 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1hos h THR 91 CO -0.00 0.79 -0.15 1.56 -0.25 0.00 0.00 175.52 177.47 1hos h GLN 92 N 0.07 0.00 -0.12 4.72 4.20 0.21 -1.30 115.11 122.89 1hos h GLN 92 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1hos h GLN 92 Cb 1.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1hos h GLN 92 CO 0.13 0.15 0.00 0.44 -0.67 0.00 0.00 178.83 178.87 1hos n ILE 93 N -3.27 0.14 -1.59 2.54 -5.35 -1.13 -4.94 119.36 105.76 1hos n ILE 93 Ca 0.01 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1hos n ILE 93 Cb 0.41 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1hos n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hos n GLY 94 N 1.23 0.80 3.71 3.28 0.00 -0.49 -5.04 105.19 108.67 1hos n GLY 94 Ca 0.17 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1hos n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hos s THR 96 N 1.16 1.97 -0.12 0.00 -4.23 -1.26 -4.79 115.64 108.37 1hos s THR 96 Ca 0.52 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1hos s THR 96 Cb -0.22 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1hos s THR 96 CO 0.27 -0.29 0.10 -0.22 -0.54 0.00 0.00 174.62 173.94 1hos s LEU 97 N -2.75 4.16 0.02 4.79 2.96 -1.26 -5.10 118.68 121.49 1hos s LEU 97 Ca 0.18 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1hos s LEU 97 Cb -0.06 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1hos s LEU 97 CO 0.08 0.39 -0.04 0.20 -1.32 0.00 0.00 176.35 175.66 1hos s ASN 98 N -0.90 0.38 0.00 3.68 0.02 -1.26 -5.29 114.94 111.57 1hos s ASN 98 Ca 0.14 -0.36 0.00 0.00 -1.02 0.00 0.00 52.86 51.61 1hos s ASN 98 Cb -0.12 0.05 0.00 0.00 0.02 0.00 0.00 41.25 41.20 1hos s ASN 98 CO 0.03 -0.18 0.00 2.22 0.02 0.00 0.00 177.10 179.20