#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpi s GLN 2 N 0.00 2.61 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.00 1cpi s GLN 2 Ca 0.00 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.71 1cpi s GLN 2 Cb 0.00 -2.23 -0.00 0.00 1.10 0.00 0.00 33.01 31.87 1cpi s GLN 2 CO 0.00 -0.13 -0.12 0.42 -0.55 0.00 0.00 175.29 174.91 1cpi s ILE 3 N 1.14 2.86 0.73 -2.34 1.01 -1.26 -5.12 121.20 118.22 1cpi s ILE 3 Ca -0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1cpi s ILE 3 Cb -0.14 -2.24 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1cpi s ILE 3 CO -0.07 0.49 1.08 0.42 0.00 0.00 0.00 174.94 176.86 1cpi s THR 4 N 1.06 2.49 -0.29 2.92 -4.23 -1.26 -5.03 115.64 111.30 1cpi s THR 4 Ca -0.00 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1cpi s THR 4 Cb -0.15 -3.12 0.52 0.00 1.34 0.00 0.00 72.50 71.10 1cpi s THR 4 CO -0.03 -0.14 1.49 0.18 -0.54 0.00 0.00 174.62 175.58 1cpi n LEU 5 N -3.06 4.27 0.22 4.79 4.77 -1.26 -4.54 117.00 122.20 1cpi n LEU 5 Ca 0.07 -3.65 0.09 0.00 -0.03 0.00 0.00 56.01 52.50 1cpi n LEU 5 Cb 0.60 -0.64 0.44 0.00 -2.33 0.00 0.00 43.42 41.49 1cpi n LEU 5 CO 0.55 1.15 0.78 -0.50 -1.33 0.00 0.00 177.39 178.04 1cpi h TRP 6 N 1.12 0.00 -3.31 -1.77 4.06 -2.06 -3.43 115.95 110.55 1cpi h TRP 6 Ca 0.22 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.81 1cpi h TRP 6 Cb 1.71 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.73 1cpi h TRP 6 CO 0.99 0.26 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.79 1cpi s GLN 7 N -3.66 1.20 0.25 0.49 -0.21 -1.26 -5.10 119.66 111.36 1cpi s GLN 7 Ca 0.00 -1.56 -0.31 0.00 0.02 0.00 0.00 55.36 53.51 1cpi s GLN 7 Cb 0.10 -0.66 -0.12 0.00 1.00 0.00 0.00 33.01 33.34 1cpi s GLN 7 CO 0.65 0.01 1.65 0.54 -2.12 0.00 0.00 175.29 176.01 1cpi n ARG 8 N -0.31 2.70 -1.55 2.91 1.74 -1.26 -4.82 116.66 116.07 1cpi n ARG 8 Ca -0.08 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 1cpi n ARG 8 Cb 0.62 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.25 1cpi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cpi n PRO 9 N 3.01 2.15 -3.28 5.56 -0.04 -1.26 -4.93 135.00 136.21 1cpi n PRO 9 Ca 0.12 -2.29 -0.38 0.00 -0.04 0.00 0.00 63.50 60.91 1cpi n PRO 9 Cb 0.35 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 1cpi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cpi s LEU 10 N 2.61 4.30 0.17 1.53 1.43 -1.26 -1.46 118.68 126.00 1cpi s LEU 10 Ca 0.54 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1cpi s LEU 10 Cb 0.12 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1cpi s LEU 10 CO 0.04 0.00 -0.05 0.68 0.23 0.00 0.00 176.35 177.25 1cpi s VAL 11 N 0.52 0.98 0.14 -1.59 -7.23 -0.16 -4.92 120.40 108.15 1cpi s VAL 11 Ca 0.28 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 1cpi s VAL 11 Cb -0.16 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 1cpi s VAL 11 CO 0.12 -0.60 0.72 -0.89 -0.31 0.00 0.00 175.10 174.14 1cpi s THR 12 N -3.45 4.48 0.20 5.32 2.01 -1.26 -0.85 115.64 122.08 1cpi s THR 12 Ca 0.20 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.84 1cpi s THR 12 Cb 0.04 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1cpi s THR 12 CO 0.03 0.52 -0.10 0.27 -0.69 0.00 0.00 174.62 174.65 1cpi s ILE 13 N -1.08 1.45 -0.09 1.82 -4.36 0.12 -4.70 121.20 114.36 1cpi s ILE 13 Ca 0.34 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1cpi s ILE 13 Cb -0.22 -2.06 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1cpi s ILE 13 CO 0.24 -0.58 -0.19 -0.13 0.24 0.00 0.00 174.94 174.53 1cpi s ARG 14 N -3.72 2.48 -0.17 0.37 0.52 -0.38 -0.92 118.95 117.13 1cpi s ARG 14 Ca 0.22 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 1cpi s ARG 14 Cb 0.02 -1.93 0.05 0.00 0.52 0.00 0.00 34.95 33.61 1cpi s ARG 14 CO 0.06 0.11 0.43 -1.50 0.02 0.00 0.00 175.30 174.42 1cpi s ILE 15 N 0.50 -0.01 -2.13 1.52 2.07 0.74 -1.89 121.20 121.99 1cpi s ILE 15 Ca -0.17 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1cpi s ILE 15 Cb -0.17 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1cpi s ILE 15 CO 0.06 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 1cpi n GLY 16 N 3.57 1.85 1.62 1.50 0.00 -1.26 -0.11 105.19 112.35 1cpi n GLY 16 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1cpi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpi n GLY 17 N -0.50 1.77 3.92 -0.02 0.00 -1.26 -5.04 105.19 104.06 1cpi n GLY 17 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1cpi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cpi s GLN 18 N -0.48 3.52 -0.13 1.61 -1.52 0.84 -5.09 119.66 118.40 1cpi s GLN 18 Ca 0.00 -0.05 -0.03 0.00 -1.95 0.00 0.00 55.36 53.34 1cpi s GLN 18 Cb 0.00 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.25 1cpi s GLN 18 CO 0.00 -0.04 -0.04 -1.17 -0.25 0.00 0.00 175.29 173.79 1cpi s LEU 19 N -4.53 3.24 0.13 2.90 2.96 -1.26 -0.19 118.68 121.92 1cpi s LEU 19 Ca 0.44 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1cpi s LEU 19 Cb -0.10 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1cpi s LEU 19 CO 0.41 0.22 0.06 -0.54 -1.32 0.00 0.00 176.35 175.17 1cpi s LYS 20 N 0.05 0.91 -0.17 1.98 1.02 -0.10 -4.97 119.74 118.47 1cpi s LYS 20 Ca -0.00 -1.42 -0.05 0.00 0.02 0.00 0.00 55.97 54.52 1cpi s LYS 20 Cb -0.13 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 1cpi s LYS 20 CO 0.03 -0.26 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.19 1cpi s GLU 21 N -4.04 3.69 0.04 1.68 2.56 -1.26 0.12 118.70 121.49 1cpi s GLU 21 Ca 0.23 -0.50 0.01 0.00 0.00 0.00 0.00 54.97 54.71 1cpi s GLU 21 Cb 0.07 -3.01 -0.03 0.00 2.00 0.00 0.00 34.13 33.17 1cpi s GLU 21 CO 0.01 0.17 -0.05 0.00 -0.56 0.00 0.00 175.26 174.83 1cpi s ALA 22 N 0.59 0.41 -0.13 6.30 0.00 -0.03 -4.49 121.76 124.40 1cpi s ALA 22 Ca -0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1cpi s ALA 22 Cb -0.14 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1cpi s ALA 22 CO 0.02 -0.16 0.55 -1.17 0.00 0.00 0.00 175.76 175.00 1cpi s LEU 23 N -1.91 4.24 -0.43 0.00 2.96 0.37 -0.99 118.68 122.92 1cpi s LEU 23 Ca -0.07 0.86 -0.29 0.00 -0.22 0.00 0.00 54.13 54.41 1cpi s LEU 23 Cb -0.05 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.86 1cpi s LEU 23 CO -0.03 -0.10 1.23 -0.76 -1.32 0.00 0.00 176.35 175.38 1cpi s LEU 24 N 1.03 3.67 -0.34 -0.68 1.43 -0.54 0.03 118.68 123.29 1cpi s LEU 24 Ca 0.28 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1cpi s LEU 24 Cb -0.16 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.62 1cpi s LEU 24 CO 0.12 -1.26 0.06 -0.62 0.23 0.00 0.00 176.35 174.88 1cpi s ASP 25 N 2.85 4.70 0.25 2.29 -1.08 -0.23 -4.80 116.67 120.66 1cpi s ASP 25 Ca 0.52 -2.15 0.24 0.00 -0.52 0.00 0.00 52.55 50.64 1cpi s ASP 25 Cb -0.10 -1.58 0.96 0.00 -1.46 0.00 0.00 42.92 40.74 1cpi s ASP 25 CO 0.30 -0.38 1.71 0.35 0.52 0.00 0.00 175.17 177.67 1cpi n THR 26 N 4.26 0.80 0.19 1.71 -2.24 -1.26 -2.26 114.28 115.48 1cpi n THR 26 Ca 0.04 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 1cpi n THR 26 Cb 0.42 -1.10 0.27 0.00 -2.10 0.00 0.00 70.33 67.81 1cpi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cpi n GLY 27 N 0.13 1.70 3.40 3.38 0.00 -1.26 -4.85 105.19 107.68 1cpi n GLY 27 Ca 0.02 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1cpi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpi s ALA 28 N -1.27 2.73 0.17 4.61 0.00 -0.96 -5.00 121.76 122.04 1cpi s ALA 28 Ca 0.39 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1cpi s ALA 28 Cb 0.21 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1cpi s ALA 28 CO 0.28 0.20 1.38 -0.44 0.00 0.00 0.00 175.76 177.18 1cpi h ASP 29 N 6.79 0.18 -1.78 0.00 3.32 -1.89 -1.00 116.42 122.04 1cpi h ASP 29 Ca -0.28 -0.15 -0.57 0.00 0.02 0.00 0.00 57.03 56.05 1cpi h ASP 29 Cb 1.20 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 1cpi h ASP 29 CO 0.58 0.97 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.70 1cpi s ASP 30 N -6.88 4.33 -0.26 6.45 1.01 -1.26 -2.59 116.67 117.47 1cpi s ASP 30 Ca -0.02 -1.01 -0.10 0.00 0.71 0.00 0.00 52.55 52.13 1cpi s ASP 30 Cb 0.10 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.45 1cpi s ASP 30 CO 0.82 -0.38 0.16 -0.89 0.21 0.00 0.00 175.17 175.09 1cpi s THR 31 N -2.55 5.19 -0.09 -1.27 2.01 -1.26 -3.15 115.64 114.52 1cpi s THR 31 Ca 0.38 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1cpi s THR 31 Cb 0.02 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1cpi s THR 31 CO 0.21 0.31 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1cpi s VAL 32 N 1.41 0.97 0.11 3.82 1.01 -0.81 -1.12 120.40 125.79 1cpi s VAL 32 Ca 0.07 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1cpi s VAL 32 Cb -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1cpi s VAL 32 CO 0.07 0.34 -0.12 -0.76 0.00 0.00 0.00 175.10 174.64 1cpi s LEU 33 N 1.27 2.98 0.80 3.92 1.43 0.49 -0.92 118.68 128.66 1cpi s LEU 33 Ca -0.04 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1cpi s LEU 33 Cb -0.14 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.38 1cpi s LEU 33 CO -0.03 0.18 1.19 -1.61 0.23 0.00 0.00 176.35 176.31 1cpi s GLU 34 N -2.20 1.69 -0.06 1.70 2.02 -1.26 -1.32 118.70 119.27 1cpi s GLU 34 Ca 0.21 1.70 -0.37 0.00 0.02 0.00 0.00 54.97 56.53 1cpi s GLU 34 Cb -0.11 -1.79 -0.15 0.00 0.10 0.00 0.00 34.13 32.18 1cpi s GLU 34 CO 0.13 -2.16 1.59 0.39 0.02 0.00 0.00 175.26 175.23 1cpi n GLU 35 N -3.31 1.43 -3.63 1.61 -0.58 -1.24 -4.60 120.64 110.32 1cpi n GLU 35 Ca 0.13 0.52 -0.10 0.00 -0.42 0.00 0.00 57.16 57.29 1cpi n GLU 35 Cb 0.51 -2.22 -0.03 0.00 -0.57 0.00 0.00 31.44 29.13 1cpi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cpi s MET 36 N 2.16 1.41 -0.21 3.49 0.23 -1.26 -5.04 119.30 120.08 1cpi s MET 36 Ca 0.90 -0.73 -0.13 0.00 -1.03 0.00 0.00 55.69 54.70 1cpi s MET 36 Cb -0.92 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 32.90 1cpi s MET 36 CO 0.53 -0.62 0.26 -0.80 -2.03 0.00 0.00 175.02 172.37 1cpi s ASN 37 N -2.83 6.29 0.09 -1.18 0.02 -1.26 -5.03 114.94 111.04 1cpi s ASN 37 Ca 0.06 0.33 0.09 0.00 -1.02 0.00 0.00 52.86 52.33 1cpi s ASN 37 Cb -0.02 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 1cpi s ASN 37 CO -0.05 0.03 -0.23 -0.76 0.02 0.00 0.00 177.10 176.10 1cpi s LEU 38 N 0.98 2.40 0.59 0.60 1.43 -1.26 -5.04 118.68 118.38 1cpi s LEU 38 Ca 0.13 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1cpi s LEU 38 Cb -0.14 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1cpi s LEU 38 CO 0.05 0.22 1.16 -2.16 0.23 0.00 0.00 176.35 175.85 1cpi s PRO 39 N -1.74 3.08 0.00 1.29 0.04 -1.26 -4.88 135.00 131.53 1cpi s PRO 39 Ca 0.14 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1cpi s PRO 39 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1cpi s PRO 39 CO 0.06 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1cpi n GLY 40 N 0.23 0.99 3.74 0.56 0.00 -1.26 -5.01 105.19 104.45 1cpi n GLY 40 Ca 0.12 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1cpi n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpi s LYS 41 N -2.56 1.70 0.05 1.61 0.00 -1.26 -5.08 119.74 114.21 1cpi s LYS 41 Ca 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 55.97 56.88 1cpi s LYS 41 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 37.83 35.94 1cpi s LYS 41 CO 0.00 -1.96 -0.01 1.67 0.00 0.00 0.00 175.35 175.05 1cpi s TRP 42 N -2.94 0.47 -0.03 1.78 1.48 -1.26 -4.67 118.94 113.78 1cpi s TRP 42 Ca 0.62 -0.99 0.06 0.00 -1.06 0.00 0.00 56.10 54.73 1cpi s TRP 42 Cb -0.17 -0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 31.78 1cpi s TRP 42 CO 0.56 -0.38 -0.20 0.15 -4.06 0.00 0.00 176.95 173.02 1cpi s LYS 43 N -3.75 1.78 0.28 3.25 -0.14 -0.79 -4.87 119.74 115.50 1cpi s LYS 43 Ca 0.05 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1cpi s LYS 43 Cb 0.07 -1.64 -0.10 0.00 -1.68 0.00 0.00 37.83 34.47 1cpi s LYS 43 CO -0.09 0.38 1.39 -2.14 -0.76 0.00 0.00 175.35 174.13 1cpi s PRO 44 N -0.31 4.29 0.13 -1.68 0.02 -1.26 -1.11 135.00 135.08 1cpi s PRO 44 Ca 0.04 2.28 -0.06 0.00 0.02 0.00 0.00 61.00 63.28 1cpi s PRO 44 Cb -0.09 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1cpi s PRO 44 CO 0.00 -0.34 0.18 0.15 -0.33 0.00 0.00 177.00 176.66 1cpi s LYS 45 N -0.98 0.98 -0.04 5.54 1.02 -0.61 -4.90 119.74 120.76 1cpi s LYS 45 Ca 0.55 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 55.38 1cpi s LYS 45 Cb -0.41 0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 37.22 1cpi s LYS 45 CO 0.48 -0.32 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.80 1cpi s MET 46 N -3.96 1.50 0.09 1.68 -1.94 -1.26 -0.28 119.30 115.14 1cpi s MET 46 Ca 0.15 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 1cpi s MET 46 Cb 0.05 -1.34 -0.03 0.00 2.01 0.00 0.00 34.83 35.52 1cpi s MET 46 CO -0.03 0.21 -0.10 0.96 -0.01 0.00 0.00 175.02 176.05 1cpi s ILE 47 N 0.06 0.93 0.06 2.53 -4.36 -0.85 -4.97 121.20 114.60 1cpi s ILE 47 Ca -0.03 -1.57 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1cpi s ILE 47 Cb -0.10 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1cpi s ILE 47 CO 0.01 -0.52 -0.01 -0.83 0.24 0.00 0.00 174.94 173.84 1cpi s GLY 48 N -2.32 1.90 0.00 6.27 0.00 -1.26 -1.20 107.32 110.70 1cpi s GLY 48 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1cpi s GLY 48 CO 0.00 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1cpi n GLY 49 N 0.85 6.18 0.18 0.20 0.00 0.05 -4.98 105.19 107.66 1cpi n GLY 49 Ca -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 1cpi n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cpi h ILE 50 N 0.00 1.34 -0.03 -0.61 6.09 -2.02 -3.19 117.51 119.10 1cpi h ILE 50 Ca 0.00 -1.64 0.00 0.00 -1.37 0.00 0.00 64.86 61.85 1cpi h ILE 50 Cb 0.00 1.83 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1cpi h ILE 50 CO 0.00 0.48 -0.07 0.61 -3.07 0.00 0.00 178.15 176.09 1cpi n GLY 51 N -0.12 0.69 0.00 8.18 0.00 -1.26 -5.07 105.19 107.61 1cpi n GLY 51 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1cpi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpi n GLY 52 N 1.34 0.84 3.89 -0.02 0.00 -1.21 -5.10 105.19 104.93 1cpi n GLY 52 Ca 0.14 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1cpi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cpi s PHE 53 N -2.00 3.56 0.18 1.61 0.40 -1.26 -0.77 117.98 119.69 1cpi s PHE 53 Ca 0.00 0.50 0.05 0.00 -0.60 0.00 0.00 56.93 56.88 1cpi s PHE 53 Cb 0.00 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1cpi s PHE 53 CO 0.00 0.60 -0.08 0.96 0.70 0.00 0.00 175.22 177.40 1cpi s ILE 54 N -1.35 1.25 -0.09 0.64 -4.36 -0.34 -4.98 121.20 111.96 1cpi s ILE 54 Ca 0.29 -2.08 -0.10 0.00 -0.26 0.00 0.00 60.65 58.50 1cpi s ILE 54 Cb -0.13 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 1cpi s ILE 54 CO 0.18 -0.61 0.24 -0.54 0.24 0.00 0.00 174.94 174.45 1cpi s LYS 55 N -3.76 3.73 0.23 0.37 1.02 -1.26 -2.01 119.74 118.05 1cpi s LYS 55 Ca 0.21 0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.27 1cpi s LYS 55 Cb 0.03 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1cpi s LYS 55 CO 0.04 0.66 0.04 0.14 -0.92 0.00 0.00 175.35 175.31 1cpi s VAL 56 N -0.78 0.71 -0.17 3.17 -7.23 0.62 -4.59 120.40 112.13 1cpi s VAL 56 Ca 0.17 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1cpi s VAL 56 Cb -0.13 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1cpi s VAL 56 CO 0.06 -0.22 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.49 1cpi s ARG 57 N -3.96 3.73 -0.26 4.82 0.52 -0.19 -1.57 118.95 122.04 1cpi s ARG 57 Ca 0.31 -0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1cpi s ARG 57 Cb 0.07 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 1cpi s ARG 57 CO 0.10 0.22 0.14 -1.14 0.02 0.00 0.00 175.30 174.63 1cpi s GLN 58 N 0.45 3.89 -0.17 3.54 0.74 -0.27 -0.75 119.66 127.09 1cpi s GLN 58 Ca -0.02 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 1cpi s GLN 58 Cb -0.14 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1cpi s GLN 58 CO 0.02 -0.10 -0.07 0.71 -0.55 0.00 0.00 175.29 175.30 1cpi s TYR 59 N 1.48 2.93 0.24 1.67 2.02 -0.07 -1.88 117.35 123.74 1cpi s TYR 59 Ca 0.07 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1cpi s TYR 59 Cb -0.15 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1cpi s TYR 59 CO 0.07 -0.28 0.41 -0.51 -1.57 0.00 0.00 175.55 173.67 1cpi s ASP 60 N 0.77 6.35 -1.54 2.29 1.01 -1.26 -0.49 116.67 123.79 1cpi s ASP 60 Ca -0.03 0.31 -0.09 0.00 0.71 0.00 0.00 52.55 53.45 1cpi s ASP 60 Cb -0.15 -1.97 0.07 0.00 1.01 0.00 0.00 42.92 41.89 1cpi s ASP 60 CO 0.02 -0.10 0.62 0.00 0.21 0.00 0.00 175.17 175.92 1cpi n GLN 61 N -1.08 -3.42 -3.32 8.23 6.02 -1.11 -4.88 117.38 117.82 1cpi n GLN 61 Ca -0.06 0.40 -0.39 0.00 -0.01 0.00 0.00 57.00 56.95 1cpi n GLN 61 Cb 0.55 -4.84 -0.07 0.00 1.02 0.00 0.00 30.24 26.90 1cpi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1cpi s ILE 62 N -3.63 5.16 0.21 5.09 -1.09 0.81 -4.70 121.20 123.05 1cpi s ILE 62 Ca 0.37 0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 1cpi s ILE 62 Cb -0.20 -3.78 -0.08 0.00 -1.58 0.00 0.00 42.46 36.82 1cpi s ILE 62 CO 0.90 0.23 1.14 -2.84 -1.23 0.00 0.00 174.94 173.14 1cpi s PRO 63 N 1.40 4.56 -0.03 2.79 0.02 -1.26 -1.65 135.00 140.82 1cpi s PRO 63 Ca 0.22 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 1cpi s PRO 63 Cb -0.15 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.16 1cpi s PRO 63 CO 0.09 0.04 0.05 0.08 -0.33 0.00 0.00 177.00 176.93 1cpi s VAL 64 N -0.43 -0.04 -0.31 3.83 1.01 0.68 -4.51 120.40 120.62 1cpi s VAL 64 Ca 0.49 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1cpi s VAL 64 Cb -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1cpi s VAL 64 CO 0.38 0.06 0.14 -0.70 0.00 0.00 0.00 175.10 174.97 1cpi s GLU 65 N 0.74 3.23 -0.42 2.72 2.12 -0.79 -1.06 118.70 125.24 1cpi s GLU 65 Ca -0.06 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.53 1cpi s GLU 65 Cb -0.08 -3.53 0.57 0.00 0.26 0.00 0.00 34.13 31.35 1cpi s GLU 65 CO -0.03 -0.45 1.74 -0.89 -0.54 0.00 0.00 175.26 175.09 1cpi n ILE 66 N 4.95 3.01 0.00 -3.70 5.41 -1.26 -1.25 119.36 126.52 1cpi n ILE 66 Ca -0.14 -2.49 0.00 0.00 1.00 0.00 0.00 62.75 61.12 1cpi n ILE 66 Cb 0.49 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 1cpi n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cpi n GLY 68 N -1.09 0.00 3.77 7.39 0.00 -1.26 -4.73 105.19 109.27 1cpi n GLY 68 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1cpi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cpi s HIS 69 N -0.14 3.71 0.15 1.61 4.02 -1.26 -5.05 115.29 118.33 1cpi s HIS 69 Ca 0.00 1.26 -0.15 0.00 1.02 0.00 0.00 55.06 57.19 1cpi s HIS 69 Cb 0.00 -2.63 -0.07 0.00 -1.02 0.00 0.00 32.58 28.86 1cpi s HIS 69 CO 0.00 0.37 0.57 -1.59 1.02 0.00 0.00 174.74 175.12 1cpi s LYS 70 N -0.31 4.03 0.01 1.40 0.00 -1.26 -4.31 119.74 119.29 1cpi s LYS 70 Ca 0.32 0.55 -0.08 0.00 0.00 0.00 0.00 55.97 56.76 1cpi s LYS 70 Cb -0.19 -2.94 0.00 0.00 0.00 0.00 0.00 37.83 34.71 1cpi s LYS 70 CO 0.18 0.47 0.16 0.00 0.00 0.00 0.00 175.35 176.17 1cpi s ALA 71 N -1.46 -0.37 -0.20 0.59 0.00 -0.22 -4.63 121.76 115.47 1cpi s ALA 71 Ca 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 1cpi s ALA 71 Cb -0.15 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1cpi s ALA 71 CO 0.19 -0.25 0.11 0.42 0.00 0.00 0.00 175.76 176.23 1cpi s ILE 72 N -1.68 -0.10 0.00 0.00 1.01 -1.26 -0.23 121.20 118.94 1cpi s ILE 72 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1cpi s ILE 72 Cb -0.06 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1cpi s ILE 72 CO 0.01 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1cpi n GLY 73 N 5.27 2.66 3.73 6.18 0.00 -0.66 -4.77 105.19 117.60 1cpi n GLY 73 Ca -0.07 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1cpi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpi s THR 74 N -2.85 4.32 -0.07 2.61 2.01 -1.26 -0.14 115.64 120.26 1cpi s THR 74 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 1cpi s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1cpi s THR 74 CO 0.00 0.31 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 1cpi s VAL 75 N -0.10 1.07 -0.08 3.82 1.01 0.36 -4.52 120.40 121.97 1cpi s VAL 75 Ca 0.47 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1cpi s VAL 75 Cb -0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1cpi s VAL 75 CO 0.31 0.34 0.13 -0.76 0.00 0.00 0.00 175.10 175.12 1cpi s LEU 76 N 0.76 4.25 -0.13 3.92 1.43 -0.28 -0.89 118.68 127.74 1cpi s LEU 76 Ca -0.13 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1cpi s LEU 76 Cb -0.15 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1cpi s LEU 76 CO 0.03 0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 176.11 1cpi s VAL 77 N -1.09 1.71 0.04 -1.59 1.01 0.08 -0.38 120.40 120.17 1cpi s VAL 77 Ca 0.18 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1cpi s VAL 77 Cb -0.12 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.78 1cpi s VAL 77 CO 0.08 0.48 1.05 0.61 0.00 0.00 0.00 175.10 177.32 1cpi n GLY 78 N 4.36 0.40 3.57 4.51 0.00 -0.43 -1.03 105.19 116.56 1cpi n GLY 78 Ca -0.19 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1cpi n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpi s PRO 79 N -2.02 2.54 0.01 1.61 0.04 -1.26 -3.66 135.00 132.26 1cpi s PRO 79 Ca 0.24 -0.70 0.05 0.00 0.04 0.00 0.00 61.00 60.64 1cpi s PRO 79 Cb -0.01 -5.15 -0.03 0.00 0.04 0.00 0.00 34.50 29.35 1cpi s PRO 79 CO 0.01 -3.63 -0.13 -0.08 0.04 0.00 0.00 177.00 173.21 1cpi s THR 80 N 10.43 3.15 0.24 1.26 -1.32 -1.26 -5.02 115.64 123.11 1cpi s THR 80 Ca 0.69 -0.95 0.34 0.00 -1.21 0.00 0.00 61.69 60.55 1cpi s THR 80 Cb -0.04 -2.33 0.37 0.00 -1.51 0.00 0.00 72.50 68.99 1cpi s THR 80 CO 0.05 0.40 2.04 1.55 -2.21 0.00 0.00 174.62 176.46 1cpi h PRO 81 N 4.67 0.00 -2.82 7.08 0.13 -1.98 -3.45 132.00 135.63 1cpi h PRO 81 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1cpi h PRO 81 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 1cpi h PRO 81 CO 0.50 0.04 -0.19 0.54 -0.23 0.00 0.00 178.00 178.66 1cpi s VAL 82 N -3.81 0.04 0.10 1.56 0.11 -1.26 -5.11 120.40 112.03 1cpi s VAL 82 Ca -0.00 -0.32 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 1cpi s VAL 82 Cb 0.10 -0.67 -0.07 0.00 -1.53 0.00 0.00 36.38 34.21 1cpi s VAL 82 CO 0.54 -0.18 1.32 0.20 -3.33 0.00 0.00 175.10 173.65 1cpi s ASN 83 N -1.04 6.91 -0.02 3.54 0.01 -1.26 -4.77 114.94 118.30 1cpi s ASN 83 Ca -0.11 2.23 0.05 0.00 -0.71 0.00 0.00 52.86 54.33 1cpi s ASN 83 Cb -0.04 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1cpi s ASN 83 CO 0.05 -0.58 -0.19 0.27 -1.51 0.00 0.00 177.10 175.14 1cpi s ILE 84 N 1.01 1.49 -0.34 0.60 -4.36 -0.09 -0.48 121.20 119.03 1cpi s ILE 84 Ca 0.62 -0.79 -0.11 0.00 -0.26 0.00 0.00 60.65 60.11 1cpi s ILE 84 Cb -0.34 -1.25 0.01 0.00 1.25 0.00 0.00 42.46 42.12 1cpi s ILE 84 CO 0.30 0.42 0.19 -0.63 0.24 0.00 0.00 174.94 175.47 1cpi s ILE 85 N -0.30 4.68 0.73 8.37 -1.09 0.10 -1.92 121.20 131.77 1cpi s ILE 85 Ca 0.04 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1cpi s ILE 85 Cb -0.09 -3.49 0.14 0.00 -1.58 0.00 0.00 42.46 37.45 1cpi s ILE 85 CO 0.00 -0.07 1.00 0.61 -1.23 0.00 0.00 174.94 175.25 1cpi n GLY 86 N 5.01 0.73 0.33 6.18 0.00 -1.19 -1.06 105.19 115.19 1cpi n GLY 86 Ca -0.13 -2.04 0.18 0.00 0.00 0.00 0.00 46.02 44.02 1cpi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1cpi h ARG 87 N 0.00 0.00 -0.25 1.61 3.08 -1.23 -0.83 114.38 116.76 1cpi h ARG 87 Ca -0.33 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1cpi h ARG 87 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1cpi h ARG 87 CO 0.36 0.00 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.21 1cpi h ASN 88 N 0.00 0.39 0.06 7.04 -1.07 -1.77 -2.54 115.58 117.68 1cpi h ASN 88 Ca 0.06 -0.09 -0.36 0.00 0.07 0.00 0.00 56.30 55.98 1cpi h ASN 88 Cb 0.42 -0.10 -0.07 0.00 -2.07 0.00 0.00 38.32 36.50 1cpi h ASN 88 CO -0.00 0.53 -2.31 0.18 0.07 0.00 0.00 177.43 175.89 1cpi n LEU 89 N -4.24 0.32 0.04 6.14 4.77 -0.43 -4.28 117.00 119.32 1cpi n LEU 89 Ca 0.00 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1cpi n LEU 89 Cb 0.29 0.35 0.41 0.00 -2.33 0.00 0.00 43.42 42.14 1cpi n LEU 89 CO 0.39 0.52 1.08 -0.07 -1.33 0.00 0.00 177.39 177.98 1cpi h LEU 90 N 0.00 0.41 -0.88 2.23 3.38 -1.26 -1.93 115.31 117.25 1cpi h LEU 90 Ca -0.52 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 1cpi h LEU 90 Cb 2.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 1cpi h LEU 90 CO 0.03 0.36 -0.38 0.71 0.09 0.00 0.00 178.44 179.25 1cpi h THR 91 N 0.46 1.30 -0.26 0.22 1.35 -1.64 -2.76 112.91 111.58 1cpi h THR 91 Ca 0.12 -1.48 -0.07 0.00 -0.55 0.00 0.00 66.41 64.42 1cpi h THR 91 Cb 0.07 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1cpi h THR 91 CO -0.01 0.45 -0.15 1.56 -0.25 0.00 0.00 175.52 177.12 1cpi h GLN 92 N 0.30 0.45 -0.21 4.72 4.20 -1.54 -2.35 115.11 120.68 1cpi h GLN 92 Ca 0.03 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1cpi h GLN 92 Cb 0.81 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1cpi h GLN 92 CO 0.06 0.59 0.00 0.44 -0.67 0.00 0.00 178.83 179.26 1cpi n ILE 93 N -4.19 0.27 -1.60 2.54 -5.35 -1.12 -4.95 119.36 104.96 1cpi n ILE 93 Ca 0.00 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1cpi n ILE 93 Cb 0.33 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 1cpi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cpi n GLY 94 N 1.18 -4.74 0.00 3.28 0.00 -0.89 -5.10 105.19 98.93 1cpi n GLY 94 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1cpi n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpi n THR 96 N 1.18 0.00 -3.92 2.61 -2.24 -1.26 -5.03 114.28 105.62 1cpi n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1cpi n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1cpi n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cpi s LEU 97 N 0.00 4.14 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.09 1cpi s LEU 97 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1cpi s LEU 97 Cb 0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1cpi s LEU 97 CO 0.00 0.30 -0.06 0.20 0.23 0.00 0.00 176.35 177.02 1cpi s ASN 98 N -0.38 0.78 0.00 2.29 0.01 -1.26 -5.30 114.94 111.08 1cpi s ASN 98 Ca 0.11 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1cpi s ASN 98 Cb -0.12 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.37 1cpi s ASN 98 CO 0.01 0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.87