#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixo s GLN 2 N 0.00 3.95 -0.20 -0.52 0.74 -1.26 -5.05 119.66 117.32 3ixo s GLN 2 Ca 0.00 0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.56 3ixo s GLN 2 Cb 0.00 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 3ixo s GLN 2 CO 0.00 -0.44 0.04 0.42 -0.55 0.00 0.00 175.29 174.76 3ixo s ILE 3 N 2.36 4.36 0.41 -2.34 1.01 -1.26 -5.10 121.20 120.65 3ixo s ILE 3 Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 3ixo s ILE 3 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3ixo s ILE 3 CO 0.10 0.43 0.68 0.28 0.00 0.00 0.00 174.94 176.44 3ixo s THR 4 N 0.81 4.98 -0.56 2.92 -1.32 -1.26 -5.02 115.64 116.18 3ixo s THR 4 Ca 0.02 -0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.66 3ixo s THR 4 Cb -0.14 -3.84 0.65 0.00 -1.51 0.00 0.00 72.50 67.66 3ixo s THR 4 CO 0.02 -0.68 1.57 0.18 -2.21 0.00 0.00 174.62 173.49 3ixo n LEU 5 N -1.91 4.60 0.28 9.08 4.77 -1.26 -4.40 117.00 128.16 3ixo n LEU 5 Ca -0.01 -2.72 0.16 0.00 -0.03 0.00 0.00 56.01 53.41 3ixo n LEU 5 Cb 0.55 -0.56 0.84 0.00 -2.33 0.00 0.00 43.42 41.92 3ixo n LEU 5 CO 0.51 0.71 1.04 -0.50 -1.33 0.00 0.00 177.39 177.82 3ixo h TRP 6 N 3.15 0.00 -3.01 -1.77 4.06 -2.06 -3.42 115.95 112.90 3ixo h TRP 6 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 3ixo h TRP 6 Cb 1.53 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.54 3ixo h TRP 6 CO 0.73 0.07 -0.75 -0.65 -3.56 0.00 0.00 178.44 174.27 3ixo s GLN 7 N -4.16 1.32 0.27 0.49 -0.21 -1.26 -5.11 119.66 111.00 3ixo s GLN 7 Ca -0.03 -1.52 -0.30 0.00 0.02 0.00 0.00 55.36 53.53 3ixo s GLN 7 Cb 0.13 -1.22 -0.13 0.00 1.00 0.00 0.00 33.01 32.79 3ixo s GLN 7 CO 0.54 0.22 1.43 0.54 -2.12 0.00 0.00 175.29 175.90 3ixo n ARG 8 N -0.12 2.19 -2.34 2.91 1.74 -1.26 -4.84 116.66 114.93 3ixo n ARG 8 Ca -0.10 0.78 -0.38 0.00 -0.77 0.00 0.00 57.85 57.38 3ixo n ARG 8 Cb 0.59 -2.45 -0.02 0.00 -1.02 0.00 0.00 32.46 29.56 3ixo n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ixo n PRO 9 N 1.83 2.58 -3.26 5.56 -0.04 -1.26 -4.96 135.00 135.46 3ixo n PRO 9 Ca 0.10 -2.94 -0.33 0.00 -0.04 0.00 0.00 63.50 60.29 3ixo n PRO 9 Cb 0.33 -3.57 -0.06 0.00 -0.04 0.00 0.00 33.50 30.17 3ixo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ixo s LEU 10 N 6.57 4.16 0.00 1.53 1.43 -1.26 -0.50 118.68 130.62 3ixo s LEU 10 Ca 0.59 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 3ixo s LEU 10 Cb 0.03 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3ixo s LEU 10 CO 0.10 -0.10 0.23 0.54 0.23 0.00 0.00 176.35 177.34 3ixo s VAL 11 N -1.82 0.08 -0.17 -1.59 0.11 -0.21 -4.91 120.40 111.89 3ixo s VAL 11 Ca 0.49 -0.62 -0.23 0.00 -2.93 0.00 0.00 61.98 58.68 3ixo s VAL 11 Cb -0.12 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3ixo s VAL 11 CO 0.19 -0.34 0.72 -0.89 -3.33 0.00 0.00 175.10 171.45 3ixo s THR 12 N -1.58 4.97 0.02 5.04 2.01 -1.26 -0.60 115.64 124.24 3ixo s THR 12 Ca -0.13 1.41 0.08 0.00 0.31 0.00 0.00 61.69 63.36 3ixo s THR 12 Cb -0.05 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 3ixo s THR 12 CO 0.02 0.10 -0.23 0.68 -0.69 0.00 0.00 174.62 174.49 3ixo s VAL 13 N 1.85 1.88 -0.19 3.82 -7.23 0.37 -2.01 120.40 118.89 3ixo s VAL 13 Ca 0.34 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 3ixo s VAL 13 Cb -0.16 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3ixo s VAL 13 CO 0.12 0.39 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.52 3ixo s LYS 14 N -0.93 3.55 -0.13 4.82 2.20 0.98 -1.35 119.74 128.88 3ixo s LYS 14 Ca 0.09 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 3ixo s LYS 14 Cb -0.09 -2.98 0.05 0.00 -1.51 0.00 0.00 37.83 33.30 3ixo s LYS 14 CO 0.01 0.04 0.30 0.96 -0.36 0.00 0.00 175.35 176.30 3ixo s ILE 15 N 0.88 -0.13 -1.60 5.43 -0.00 -0.50 -1.31 121.20 123.97 3ixo s ILE 15 Ca -0.00 0.16 -0.00 0.00 -0.00 0.00 0.00 60.65 60.80 3ixo s ILE 15 Cb -0.14 -0.47 0.00 0.00 -0.00 0.00 0.00 42.46 41.85 3ixo s ILE 15 CO 0.01 0.06 0.06 0.61 -0.00 0.00 0.00 174.94 175.69 3ixo n GLY 16 N 4.48 -0.42 2.52 6.27 0.00 -1.26 -1.93 105.19 114.86 3ixo n GLY 16 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ixo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixo n GLY 17 N -1.07 1.79 3.70 -0.02 0.00 -1.26 -5.00 105.19 103.34 3ixo n GLY 17 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3ixo n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ixo s GLN 18 N -0.16 2.51 -0.10 1.61 -0.21 -0.81 -5.13 119.66 117.36 3ixo s GLN 18 Ca 0.00 -1.23 -0.00 0.00 0.02 0.00 0.00 55.36 54.15 3ixo s GLN 18 Cb 0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 3ixo s GLN 18 CO 0.00 0.40 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.99 3ixo s LEU 19 N -3.52 3.12 0.18 2.90 1.43 -1.26 -1.42 118.68 120.11 3ixo s LEU 19 Ca 0.31 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3ixo s LEU 19 Cb -0.08 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3ixo s LEU 19 CO 0.21 0.29 0.21 -0.13 0.23 0.00 0.00 176.35 177.15 3ixo s ARG 20 N -0.36 1.16 -0.06 1.70 1.81 -0.46 -5.01 118.95 117.73 3ixo s ARG 20 Ca 0.05 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 3ixo s ARG 20 Cb -0.12 0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 3ixo s ARG 20 CO 0.02 -0.40 -0.04 -1.21 -0.68 0.00 0.00 175.30 172.99 3ixo s GLU 21 N -4.05 2.79 0.01 3.54 2.02 -1.26 -0.48 118.70 121.28 3ixo s GLU 21 Ca 0.26 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 3ixo s GLU 21 Cb 0.05 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 3ixo s GLU 21 CO 0.05 0.66 -0.01 0.00 0.02 0.00 0.00 175.26 175.98 3ixo s ALA 22 N -0.88 0.06 -0.31 5.21 0.00 0.24 -4.53 121.76 121.55 3ixo s ALA 22 Ca 0.14 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 3ixo s ALA 22 Cb -0.11 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3ixo s ALA 22 CO 0.03 -0.10 0.80 -1.17 0.00 0.00 0.00 175.76 175.32 3ixo s LEU 23 N -0.85 4.08 -0.07 0.00 2.96 0.14 -1.04 118.68 123.90 3ixo s LEU 23 Ca -0.09 0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 3ixo s LEU 23 Cb -0.06 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.48 3ixo s LEU 23 CO -0.01 -0.62 1.77 -0.76 -1.32 0.00 0.00 176.35 175.42 3ixo s LEU 24 N 2.98 4.21 -0.35 -0.68 1.43 0.35 -1.45 118.68 125.17 3ixo s LEU 24 Ca 0.33 2.22 0.02 0.00 -1.03 0.00 0.00 54.13 55.67 3ixo s LEU 24 Cb -0.14 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.65 3ixo s LEU 24 CO 0.13 -1.10 0.10 -0.62 0.23 0.00 0.00 176.35 175.09 3ixo s ASP 25 N 4.16 4.36 0.55 2.29 -1.08 -0.51 -4.75 116.67 121.71 3ixo s ASP 25 Ca 0.79 -2.04 0.36 0.00 -0.52 0.00 0.00 52.55 51.14 3ixo s ASP 25 Cb -0.34 -1.28 1.67 0.00 -1.46 0.00 0.00 42.92 41.50 3ixo s ASP 25 CO 0.33 -0.38 2.07 0.71 0.52 0.00 0.00 175.17 178.42 3ixo h THR 26 N 6.39 0.00 -0.21 1.71 1.35 -1.92 -2.03 112.91 118.20 3ixo h THR 26 Ca -0.08 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3ixo h THR 26 Cb 1.00 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3ixo h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3ixo n GLY 27 N -0.39 0.03 3.25 5.82 0.00 -1.26 -4.78 105.19 107.86 3ixo n GLY 27 Ca -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3ixo n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixo s ALA 28 N -1.72 2.38 0.17 4.61 0.00 -0.76 -4.99 121.76 121.44 3ixo s ALA 28 Ca 0.18 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3ixo s ALA 28 Cb 0.09 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3ixo s ALA 28 CO 0.13 0.09 1.40 -0.44 0.00 0.00 0.00 175.76 176.94 3ixo h ASP 29 N 7.07 0.12 -1.44 0.00 3.32 -1.86 0.50 116.42 124.13 3ixo h ASP 29 Ca -0.28 -0.10 -0.59 0.00 0.02 0.00 0.00 57.03 56.08 3ixo h ASP 29 Cb 1.21 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 3ixo h ASP 29 CO 0.54 0.92 -0.50 -1.81 -1.72 0.00 0.00 179.24 176.67 3ixo s ASP 30 N -6.85 4.33 -0.20 6.45 1.01 -1.26 -2.02 116.67 118.13 3ixo s ASP 30 Ca -0.01 -1.18 -0.06 0.00 0.71 0.00 0.00 52.55 52.01 3ixo s ASP 30 Cb 0.11 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 3ixo s ASP 30 CO 0.81 -0.59 0.03 -0.89 0.21 0.00 0.00 175.17 174.74 3ixo s THR 31 N -2.65 4.28 -0.14 -1.27 2.01 -1.26 -2.24 115.64 114.37 3ixo s THR 31 Ca 0.37 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 3ixo s THR 31 Cb 0.04 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.65 3ixo s THR 31 CO 0.20 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 3ixo s VAL 32 N 0.89 0.88 0.05 3.82 1.01 -0.42 -0.60 120.40 126.03 3ixo s VAL 32 Ca 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3ixo s VAL 32 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3ixo s VAL 32 CO 0.02 0.15 0.08 -0.76 0.00 0.00 0.00 175.10 174.59 3ixo s LEU 33 N 1.74 3.82 0.00 3.92 1.43 0.38 -0.83 118.68 129.14 3ixo s LEU 33 Ca 0.02 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3ixo s LEU 33 Cb -0.14 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.74 3ixo s LEU 33 CO -0.07 0.21 0.29 -1.84 0.23 0.00 0.00 176.35 175.17 3ixo n GLU 34 N 0.73 -0.91 -1.63 1.70 0.28 -1.26 -0.26 120.64 119.30 3ixo n GLU 34 Ca -0.10 -0.46 -0.58 0.00 -0.16 0.00 0.00 57.16 55.86 3ixo n GLU 34 Cb 0.52 -0.36 -0.08 0.00 1.43 0.00 0.00 31.44 32.95 3ixo n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3ixo n GLU 35 N -1.98 0.92 -3.68 3.44 4.07 -1.25 -4.52 120.64 117.64 3ixo n GLU 35 Ca 0.04 0.32 -0.13 0.00 -0.06 0.00 0.00 57.16 57.33 3ixo n GLU 35 Cb 0.14 -2.05 -0.08 0.00 -0.06 0.00 0.00 31.44 29.39 3ixo n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3ixo s ILE 36 N 4.35 -0.00 -0.32 6.31 2.07 -1.26 -5.12 121.20 127.23 3ixo s ILE 36 Ca 1.03 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.99 3ixo s ILE 36 Cb -1.12 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 40.67 3ixo s ILE 36 CO 0.65 0.00 1.13 0.21 -1.91 0.00 0.00 174.94 175.02 3ixo s ASN 37 N 0.47 6.87 -0.10 4.50 3.04 -1.26 -5.02 114.94 123.44 3ixo s ASN 37 Ca -0.01 1.08 0.01 0.00 0.04 0.00 0.00 52.86 53.98 3ixo s ASN 37 Cb -0.04 -2.54 0.02 0.00 -1.54 0.00 0.00 41.25 37.14 3ixo s ASN 37 CO -0.02 -0.93 -0.13 -0.22 -3.04 0.00 0.00 177.10 172.76 3ixo s LEU 38 N 3.82 1.62 0.63 3.21 2.96 -1.26 -4.94 118.68 124.73 3ixo s LEU 38 Ca 0.48 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.83 3ixo s LEU 38 Cb -0.13 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 3ixo s LEU 38 CO 0.18 -0.00 1.25 -2.16 -1.32 0.00 0.00 176.35 174.30 3ixo s PRO 39 N 1.04 2.68 0.09 0.98 0.04 -1.26 -4.89 135.00 133.68 3ixo s PRO 39 Ca -0.06 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3ixo s PRO 39 Cb -0.15 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ixo s PRO 39 CO -0.02 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.97 3ixo n GLY 40 N 0.70 -1.81 2.05 0.56 0.00 -1.26 -5.03 105.19 100.40 3ixo n GLY 40 Ca 0.15 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 3ixo n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ixo n LYS 41 N 0.00 1.05 -2.93 1.61 2.85 -1.26 -5.15 118.16 114.32 3ixo n LYS 41 Ca 0.00 -1.85 -0.03 0.00 -1.05 0.00 0.00 58.31 55.39 3ixo n LYS 41 Cb 0.00 0.19 0.01 0.00 -0.65 0.00 0.00 35.03 34.59 3ixo n LYS 41 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 3ixo n TRP 42 N -1.20 -1.23 -4.07 5.58 4.27 -1.26 -4.73 117.44 114.79 3ixo n TRP 42 Ca -0.01 -0.88 -0.27 0.00 -3.89 0.00 0.00 57.50 52.45 3ixo n TRP 42 Cb 0.34 0.43 -0.17 0.00 -1.36 0.00 0.00 31.31 30.55 3ixo n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 3ixo s LYS 43 N -2.04 1.66 0.64 -2.67 1.02 -0.79 -4.92 119.74 112.65 3ixo s LYS 43 Ca 0.14 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 3ixo s LYS 43 Cb -0.02 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 3ixo s LYS 43 CO 0.04 -0.20 0.95 -2.30 -0.92 0.00 0.00 175.35 172.93 3ixo n PRO 44 N 4.67 0.76 -3.54 -1.68 -0.02 -1.26 -2.04 135.00 131.88 3ixo n PRO 44 Ca -0.15 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 3ixo n PRO 44 Cb 0.50 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3ixo n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ixo s LYS 45 N -2.95 0.90 -0.11 -0.52 2.20 -0.91 -4.83 119.74 113.52 3ixo s LYS 45 Ca 0.76 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 3ixo s LYS 45 Cb -0.39 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 3ixo s LYS 45 CO 0.47 -0.28 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.32 3ixo s MET 46 N -1.15 2.99 0.25 4.03 -1.94 -1.26 -0.41 119.30 121.81 3ixo s MET 46 Ca -0.08 -0.85 0.11 0.00 -1.71 0.00 0.00 55.69 53.16 3ixo s MET 46 Cb -0.00 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 3ixo s MET 46 CO 0.07 0.10 -0.19 0.96 -0.01 0.00 0.00 175.02 175.95 3ixo s ILE 47 N 0.54 2.58 0.31 2.53 -4.36 -0.54 -4.92 121.20 117.33 3ixo s ILE 47 Ca -0.14 -2.21 0.09 0.00 -0.26 0.00 0.00 60.65 58.13 3ixo s ILE 47 Cb -0.17 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.18 3ixo s ILE 47 CO 0.05 -0.30 -0.01 -0.83 0.24 0.00 0.00 174.94 174.09 3ixo s GLY 48 N -3.24 1.89 0.00 6.27 0.00 -1.26 -0.35 107.32 110.63 3ixo s GLY 48 Ca 0.27 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3ixo s GLY 48 CO 0.14 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 172.02 3ixo n GLY 49 N -0.91 3.17 3.71 0.20 0.00 -1.02 -4.99 105.19 105.35 3ixo n GLY 49 Ca -0.05 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3ixo n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ixo s ILE 50 N -1.61 5.02 0.00 -0.61 2.07 -1.26 -3.63 121.20 121.18 3ixo s ILE 50 Ca 0.00 1.50 0.00 0.00 -1.41 0.00 0.00 60.65 60.74 3ixo s ILE 50 Cb 0.00 -4.07 0.00 0.00 0.13 0.00 0.00 42.46 38.52 3ixo s ILE 50 CO 0.00 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 3ixo n GLY 51 N 3.15 0.43 0.00 1.50 0.00 -1.26 -4.99 105.19 104.01 3ixo n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ixo n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixo n GLY 52 N -1.54 0.61 3.90 -0.02 0.00 -1.24 -5.10 105.19 101.80 3ixo n GLY 52 Ca 0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 3ixo n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixo s PHE 53 N -0.97 3.38 0.05 1.61 0.40 -1.26 -2.43 117.98 118.76 3ixo s PHE 53 Ca 0.00 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 3ixo s PHE 53 Cb 0.00 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 3ixo s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 3ixo s ILE 54 N -1.78 1.25 0.02 0.64 -4.36 0.52 -4.96 121.20 112.54 3ixo s ILE 54 Ca 0.33 -1.10 -0.21 0.00 -0.26 0.00 0.00 60.65 59.41 3ixo s ILE 54 Cb -0.10 -1.13 -0.06 0.00 1.25 0.00 0.00 42.46 42.42 3ixo s ILE 54 CO 0.27 0.01 0.61 -0.54 0.24 0.00 0.00 174.94 175.53 3ixo s LYS 55 N -1.26 4.31 0.16 0.37 1.02 -1.26 -1.47 119.74 121.61 3ixo s LYS 55 Ca 0.03 0.77 -0.02 0.00 0.02 0.00 0.00 55.97 56.77 3ixo s LYS 55 Cb -0.08 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3ixo s LYS 55 CO 0.02 0.42 0.10 0.14 -0.92 0.00 0.00 175.35 175.11 3ixo s VAL 56 N -0.39 0.06 -0.17 3.17 -7.23 0.46 -4.43 120.40 111.86 3ixo s VAL 56 Ca 0.31 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.47 3ixo s VAL 56 Cb -0.19 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3ixo s VAL 56 CO 0.18 -0.28 0.15 -0.54 -0.31 0.00 0.00 175.10 174.31 3ixo s LYS 57 N -4.09 4.00 -0.42 4.82 1.02 -0.57 -2.14 119.74 122.37 3ixo s LYS 57 Ca 0.29 -0.15 -0.10 0.00 0.02 0.00 0.00 55.97 56.03 3ixo s LYS 57 Cb 0.07 -3.36 0.08 0.00 -0.52 0.00 0.00 37.83 34.10 3ixo s LYS 57 CO 0.06 0.43 0.27 -1.14 -0.92 0.00 0.00 175.35 174.04 3ixo s GLN 58 N -0.02 2.64 -0.13 1.68 0.74 -0.87 -1.74 119.66 121.96 3ixo s GLN 58 Ca 0.11 -1.45 -0.09 0.00 0.05 0.00 0.00 55.36 53.98 3ixo s GLN 58 Cb -0.12 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.13 3ixo s GLN 58 CO 0.00 -0.96 0.18 0.71 -0.55 0.00 0.00 175.29 174.67 3ixo s TYR 59 N 1.44 3.56 0.26 1.67 1.51 -0.58 -1.89 117.35 123.32 3ixo s TYR 59 Ca 0.03 0.54 0.07 0.00 -1.01 0.00 0.00 57.07 56.70 3ixo s TYR 59 Cb -0.23 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 3ixo s TYR 59 CO 0.02 0.59 0.20 -0.51 -1.11 0.00 0.00 175.55 174.74 3ixo s ASP 60 N -0.60 5.43 -0.97 2.29 -0.00 -1.26 -0.67 116.67 120.89 3ixo s ASP 60 Ca 0.14 -0.31 -0.13 0.00 -0.00 0.00 0.00 52.55 52.26 3ixo s ASP 60 Cb -0.12 -1.32 0.01 0.00 -0.00 0.00 0.00 42.92 41.49 3ixo s ASP 60 CO 0.04 -0.07 0.65 1.67 -0.00 0.00 0.00 175.17 177.45 3ixo n GLN 61 N -1.19 -1.08 -4.43 8.23 7.27 -1.14 -4.87 117.38 120.18 3ixo n GLN 61 Ca -0.07 0.56 -0.34 0.00 0.07 0.00 0.00 57.00 57.22 3ixo n GLN 61 Cb 0.58 -2.74 -0.13 0.00 2.41 0.00 0.00 30.24 30.36 3ixo n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ixo s ILE 62 N -3.20 3.71 0.23 1.69 1.09 0.35 -4.76 121.20 120.30 3ixo s ILE 62 Ca 0.20 -0.42 -0.30 0.00 -1.10 0.00 0.00 60.65 59.04 3ixo s ILE 62 Cb -0.10 -2.62 -0.09 0.00 -1.06 0.00 0.00 42.46 38.59 3ixo s ILE 62 CO 0.91 0.49 1.12 -0.22 -0.10 0.00 0.00 174.94 177.14 3ixo s LEU 63 N 0.45 4.51 -0.00 2.97 2.96 -1.26 -2.01 118.68 126.30 3ixo s LEU 63 Ca -0.05 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 3ixo s LEU 63 Cb -0.15 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 3ixo s LEU 63 CO 0.03 -0.22 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.32 3ixo s ILE 64 N -0.63 0.14 -0.21 6.68 2.07 0.19 -4.47 121.20 124.96 3ixo s ILE 64 Ca 0.48 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3ixo s ILE 64 Cb -0.31 -0.13 0.05 0.00 0.13 0.00 0.00 42.46 42.20 3ixo s ILE 64 CO 0.38 0.03 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.75 3ixo s GLU 65 N -0.06 1.88 -0.31 3.50 2.02 -0.43 -0.34 118.70 124.97 3ixo s GLU 65 Ca 0.00 -0.91 -0.06 0.00 0.02 0.00 0.00 54.97 54.02 3ixo s GLU 65 Cb -0.01 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.75 3ixo s GLU 65 CO -0.00 -0.50 0.08 0.42 0.02 0.00 0.00 175.26 175.29 3ixo s ILE 66 N 1.38 3.85 0.00 -1.63 1.01 0.06 -0.01 121.20 125.86 3ixo s ILE 66 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3ixo s ILE 66 Cb -0.17 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3ixo s ILE 66 CO -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.86 3ixo n GLY 68 N 0.00 -0.61 3.83 0.00 0.00 -1.26 -4.93 105.19 102.22 3ixo n GLY 68 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3ixo n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixo s LYS 69 N -2.48 3.57 0.11 1.61 1.02 -0.71 -5.11 119.74 117.75 3ixo s LYS 69 Ca 0.25 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.96 3ixo s LYS 69 Cb 0.19 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.24 3ixo s LYS 69 CO 0.51 0.67 0.44 0.15 -0.92 0.00 0.00 175.35 176.20 3ixo s LYS 70 N -0.71 3.80 -0.05 1.68 1.02 -1.26 -0.76 119.74 123.46 3ixo s LYS 70 Ca 0.13 0.24 -0.14 0.00 0.02 0.00 0.00 55.97 56.22 3ixo s LYS 70 Cb -0.12 -2.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 3ixo s LYS 70 CO 0.03 0.52 0.33 0.00 -0.92 0.00 0.00 175.35 175.31 3ixo s ALA 71 N -1.45 -0.83 -0.02 5.17 0.00 0.54 -4.80 121.76 120.37 3ixo s ALA 71 Ca 0.35 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.94 3ixo s ALA 71 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3ixo s ALA 71 CO 0.19 -0.23 -0.21 0.42 0.00 0.00 0.00 175.76 175.93 3ixo s ILE 72 N -0.81 1.69 -2.28 0.00 1.01 -1.26 0.55 121.20 120.11 3ixo s ILE 72 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3ixo s ILE 72 Cb -0.04 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3ixo s ILE 72 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3ixo n GLY 73 N 2.65 -1.39 3.74 6.18 0.00 -0.85 -4.84 105.19 110.67 3ixo n GLY 73 Ca -0.16 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3ixo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixo s THR 74 N -2.87 3.85 0.02 2.61 2.01 -1.26 -0.50 115.64 119.50 3ixo s THR 74 Ca 0.00 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.66 3ixo s THR 74 Cb 0.00 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3ixo s THR 74 CO 0.00 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.37 3ixo s VAL 75 N -0.31 1.21 -0.12 3.82 1.01 0.15 -4.51 120.40 121.66 3ixo s VAL 75 Ca 0.49 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3ixo s VAL 75 Cb -0.29 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3ixo s VAL 75 CO 0.35 0.17 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 3ixo s LEU 76 N -0.81 2.58 -0.21 3.92 1.02 0.23 -1.52 118.68 123.89 3ixo s LEU 76 Ca 0.04 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 53.81 3ixo s LEU 76 Cb -0.07 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.58 3ixo s LEU 76 CO 0.01 0.18 -0.10 -0.69 0.02 0.00 0.00 176.35 175.77 3ixo s VAL 77 N 0.24 2.91 0.00 -1.59 1.01 -0.71 0.14 120.40 122.40 3ixo s VAL 77 Ca -0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3ixo s VAL 77 Cb -0.16 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3ixo s VAL 77 CO 0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3ixo n GLY 78 N 4.72 2.25 0.18 4.51 0.00 0.64 -1.51 105.19 115.99 3ixo n GLY 78 Ca -0.19 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3ixo n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ixo n PRO 79 N -0.00 0.27 -1.34 1.61 -0.04 -1.26 -3.87 135.00 130.38 3ixo n PRO 79 Ca -0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 3ixo n PRO 79 Cb 0.00 -1.05 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 3ixo n PRO 79 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3ixo n THR 80 N -0.19 1.72 0.63 0.52 5.66 -1.26 -4.90 114.28 116.47 3ixo n THR 80 Ca 0.00 -0.46 0.13 0.00 -3.05 0.00 0.00 64.05 60.67 3ixo n THR 80 Cb 0.02 -0.60 0.34 0.00 -1.55 0.00 0.00 70.33 68.54 3ixo n THR 80 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3ixo n SER 81 N 0.52 0.74 -3.55 1.09 3.41 -1.26 -4.73 113.62 109.83 3ixo n SER 81 Ca 0.10 0.42 -0.16 0.00 -0.26 0.00 0.00 58.87 58.96 3ixo n SER 81 Cb 0.49 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3ixo n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ixo s VAL 82 N -3.11 0.00 0.15 -3.33 0.11 -1.26 -5.10 120.40 107.85 3ixo s VAL 82 Ca 0.09 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 3ixo s VAL 82 Cb 0.13 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.90 3ixo s VAL 82 CO 0.63 0.00 1.26 0.20 -3.33 0.00 0.00 175.10 173.87 3ixo s ASN 83 N -0.74 6.98 -0.08 3.54 0.01 -1.26 -4.69 114.94 118.70 3ixo s ASN 83 Ca -0.07 2.25 0.04 0.00 -0.71 0.00 0.00 52.86 54.37 3ixo s ASN 83 Cb -0.01 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3ixo s ASN 83 CO 0.07 -0.49 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.35 3ixo s ILE 84 N 0.42 1.70 -0.44 0.60 1.01 -0.01 -0.68 121.20 123.80 3ixo s ILE 84 Ca 0.57 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 3ixo s ILE 84 Cb -0.34 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 40.73 3ixo s ILE 84 CO 0.34 0.48 0.32 -0.63 0.00 0.00 0.00 174.94 175.45 3ixo s ILE 85 N 0.40 4.52 0.83 2.92 -1.09 -0.53 -1.30 121.20 126.96 3ixo s ILE 85 Ca -0.16 -1.37 -0.07 0.00 -2.23 0.00 0.00 60.65 56.83 3ixo s ILE 85 Cb -0.17 -3.78 0.18 0.00 -1.58 0.00 0.00 42.46 37.11 3ixo s ILE 85 CO 0.06 -0.57 1.14 0.61 -1.23 0.00 0.00 174.94 174.95 3ixo n GLY 86 N 5.00 -0.21 0.37 6.18 0.00 -0.95 -1.42 105.19 114.16 3ixo n GLY 86 Ca -0.11 -1.90 0.19 0.00 0.00 0.00 0.00 46.02 44.20 3ixo n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ixo h ARG 87 N 0.00 0.00 -0.01 1.61 3.08 -0.02 -0.60 114.38 118.45 3ixo h ARG 87 Ca -0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3ixo h ARG 87 Cb 1.22 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ixo h ARG 87 CO 0.34 0.00 0.01 -2.95 -1.07 0.00 0.00 179.97 176.30 3ixo h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.66 -2.44 115.58 117.45 3ixo h ASN 88 Ca 0.22 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.29 3ixo h ASN 88 Cb 0.88 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.08 3ixo h ASN 88 CO -0.00 0.00 -2.13 0.23 0.07 0.00 0.00 177.43 175.60 3ixo n MET 89 N -3.67 0.49 -0.28 4.14 2.81 -0.39 -4.59 117.12 115.62 3ixo n MET 89 Ca -0.03 0.12 0.04 0.00 -1.81 0.00 0.00 57.70 56.02 3ixo n MET 89 Cb 0.09 -1.38 0.18 0.00 -0.71 0.00 0.00 33.22 31.40 3ixo n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ixo h LEU 90 N -0.08 0.57 -1.07 4.03 3.38 -1.02 -0.59 115.31 120.52 3ixo h LEU 90 Ca -0.45 0.07 0.10 0.00 0.09 0.00 0.00 57.88 57.69 3ixo h LEU 90 Cb 1.66 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.30 3ixo h LEU 90 CO -0.10 0.30 0.62 0.71 0.09 0.00 0.00 178.44 180.06 3ixo h THR 91 N 0.68 0.98 0.00 0.22 1.35 -1.70 -1.98 112.91 112.46 3ixo h THR 91 Ca 0.41 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3ixo h THR 91 Cb 0.46 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 3ixo h THR 91 CO -0.29 0.18 0.00 1.56 -0.25 0.00 0.00 175.52 176.72 3ixo h GLN 92 N 1.00 0.00 -0.39 4.72 4.20 -1.35 -1.57 115.11 121.72 3ixo h GLN 92 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3ixo h GLN 92 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3ixo h GLN 92 CO -0.21 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.39 3ixo n ILE 93 N -3.08 2.20 -1.82 2.54 -5.35 -0.81 -4.89 119.36 108.15 3ixo n ILE 93 Ca -0.01 -1.59 -0.20 0.00 -0.27 0.00 0.00 62.75 60.68 3ixo n ILE 93 Cb 0.18 -0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 37.90 3ixo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ixo n GLY 94 N 0.07 1.19 3.73 3.28 0.00 -0.59 -4.93 105.19 107.94 3ixo n GLY 94 Ca 0.22 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ixo n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixo s THR 96 N 0.72 0.65 -0.06 0.00 -1.32 -1.26 -4.69 115.64 109.66 3ixo s THR 96 Ca 0.67 -1.67 -0.05 0.00 -1.21 0.00 0.00 61.69 59.43 3ixo s THR 96 Cb -0.44 -1.35 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 3ixo s THR 96 CO 0.36 -0.72 0.16 -0.76 -2.21 0.00 0.00 174.62 171.45 3ixo s LEU 97 N -2.59 4.35 -0.01 9.08 1.43 -1.26 -5.06 118.68 124.61 3ixo s LEU 97 Ca 0.05 0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3ixo s LEU 97 Cb 0.01 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.90 3ixo s LEU 97 CO -0.03 0.33 0.01 0.20 0.23 0.00 0.00 176.35 177.10 3ixo s ASN 98 N -1.49 0.01 0.00 2.29 -0.87 -1.26 -5.27 114.94 108.34 3ixo s ASN 98 Ca 0.21 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 3ixo s ASN 98 Cb -0.12 -0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 3ixo s ASN 98 CO 0.11 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.83