#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbr s GLN 2 N 0.00 2.02 -0.20 -0.52 0.74 -1.26 -5.09 119.66 115.36 1qbr s GLN 2 Ca 0.00 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 54.87 1qbr s GLN 2 Cb 0.00 -1.72 -0.02 0.00 1.10 0.00 0.00 33.01 32.37 1qbr s GLN 2 CO 0.00 -0.04 -0.02 0.08 -0.55 0.00 0.00 175.29 174.75 1qbr s VAL 3 N 0.93 3.73 0.49 1.34 1.01 -1.26 -5.09 120.40 121.55 1qbr s VAL 3 Ca -0.09 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1qbr s VAL 3 Cb -0.15 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 1qbr s VAL 3 CO -0.00 0.44 1.00 0.42 0.00 0.00 0.00 175.10 176.96 1qbr s THR 4 N 1.01 4.21 -0.39 3.92 -4.23 -1.26 -4.98 115.64 113.92 1qbr s THR 4 Ca 0.01 1.23 0.05 0.00 -1.18 0.00 0.00 61.69 61.80 1qbr s THR 4 Cb -0.14 -3.57 0.62 0.00 1.34 0.00 0.00 72.50 70.74 1qbr s THR 4 CO 0.01 -0.44 1.78 0.18 -0.54 0.00 0.00 174.62 175.61 1qbr n LEU 5 N -1.20 6.14 0.14 4.79 4.77 -1.26 -4.07 117.00 126.32 1qbr n LEU 5 Ca 0.08 -3.25 0.13 0.00 -0.03 0.00 0.00 56.01 52.93 1qbr n LEU 5 Cb 0.53 -0.78 0.36 0.00 -2.33 0.00 0.00 43.42 41.20 1qbr n LEU 5 CO 0.42 0.92 0.87 -0.50 -1.33 0.00 0.00 177.39 177.77 1qbr h TRP 6 N 1.31 0.00 -3.26 -1.77 4.06 -2.05 -3.45 115.95 110.79 1qbr h TRP 6 Ca 0.48 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 61.04 1qbr h TRP 6 Cb 2.53 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 30.55 1qbr h TRP 6 CO 1.35 0.00 -0.66 1.14 -3.56 0.00 0.00 178.44 176.71 1qbr s GLN 7 N -3.16 1.34 0.23 0.49 -2.07 -1.26 -5.11 119.66 110.13 1qbr s GLN 7 Ca 0.09 -1.67 -0.30 0.00 -1.82 0.00 0.00 55.36 51.66 1qbr s GLN 7 Cb 0.10 -0.66 -0.09 0.00 -1.09 0.00 0.00 33.01 31.27 1qbr s GLN 7 CO 0.60 -0.08 1.21 1.03 -1.32 0.00 0.00 175.29 176.73 1qbr s ARG 8 N -3.85 4.49 -1.08 9.60 0.52 -1.26 -4.89 118.95 122.47 1qbr s ARG 8 Ca 0.28 1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 57.20 1qbr s ARG 8 Cb 0.05 -3.20 0.05 0.00 0.52 0.00 0.00 34.95 32.37 1qbr s ARG 8 CO 0.09 -0.06 1.56 -1.25 0.02 0.00 0.00 175.30 175.65 1qbr s PRO 9 N -0.69 3.61 0.12 3.54 0.04 -1.26 -4.93 135.00 135.42 1qbr s PRO 9 Ca 0.51 -1.29 -0.05 0.00 0.04 0.00 0.00 61.00 60.21 1qbr s PRO 9 Cb -0.34 -5.38 -0.05 0.00 0.04 0.00 0.00 34.50 28.76 1qbr s PRO 9 CO 0.40 -2.32 0.35 -0.51 0.04 0.00 0.00 177.00 174.96 1qbr s LEU 10 N 5.20 4.29 0.11 -3.56 1.43 -1.26 -0.91 118.68 123.99 1qbr s LEU 10 Ca 0.50 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 1qbr s LEU 10 Cb 0.01 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 1qbr s LEU 10 CO -0.05 0.09 0.22 0.54 0.23 0.00 0.00 176.35 177.38 1qbr s VAL 11 N -1.58 0.12 -0.12 -1.59 0.11 0.50 -4.91 120.40 112.93 1qbr s VAL 11 Ca 0.38 -1.26 -0.21 0.00 -2.93 0.00 0.00 61.98 57.97 1qbr s VAL 11 Cb -0.12 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1qbr s VAL 11 CO 0.23 -0.53 0.60 -0.89 -3.33 0.00 0.00 175.10 171.18 1qbr s THR 12 N -3.90 5.09 0.20 5.04 2.01 -1.26 -0.35 115.64 122.47 1qbr s THR 12 Ca 0.09 1.19 0.11 0.00 0.31 0.00 0.00 61.69 63.39 1qbr s THR 12 Cb 0.04 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1qbr s THR 12 CO -0.07 0.24 -0.22 0.27 -0.69 0.00 0.00 174.62 174.15 1qbr s ILE 13 N 1.01 2.26 -0.12 1.82 -4.36 0.95 -0.82 121.20 121.94 1qbr s ILE 13 Ca 0.31 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1qbr s ILE 13 Cb -0.16 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1qbr s ILE 13 CO 0.13 -0.18 -0.20 -0.75 0.24 0.00 0.00 174.94 174.18 1qbr s LYS 14 N -2.77 2.71 -0.11 0.37 2.20 0.36 -0.57 119.74 121.92 1qbr s LYS 14 Ca 0.21 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 1qbr s LYS 14 Cb -0.07 -2.20 0.05 0.00 -1.51 0.00 0.00 37.83 34.10 1qbr s LYS 14 CO 0.10 -0.01 0.25 0.96 -0.36 0.00 0.00 175.35 176.28 1qbr s ILE 15 N 0.82 -0.24 -1.35 5.43 -5.25 0.53 -1.69 121.20 119.45 1qbr s ILE 15 Ca -0.08 0.23 0.00 0.00 -0.99 0.00 0.00 60.65 59.81 1qbr s ILE 15 Cb -0.16 -0.40 0.00 0.00 2.95 0.00 0.00 42.46 44.85 1qbr s ILE 15 CO -0.01 0.10 0.00 0.61 -1.79 0.00 0.00 174.94 173.85 1qbr n GLY 16 N 4.86 0.30 2.02 6.27 0.00 -1.26 -0.53 105.19 116.84 1qbr n GLY 16 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1qbr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbr n GLY 17 N -1.07 2.47 3.87 -0.02 0.00 -1.26 -5.02 105.19 104.16 1qbr n GLY 17 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1qbr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qbr s GLN 18 N -0.42 3.01 -0.27 1.61 -0.21 0.31 -5.07 119.66 118.62 1qbr s GLN 18 Ca 0.00 -1.03 -0.04 0.00 0.02 0.00 0.00 55.36 54.31 1qbr s GLN 18 Cb 0.00 -2.63 0.01 0.00 1.00 0.00 0.00 33.01 31.40 1qbr s GLN 18 CO 0.00 0.35 0.01 -0.51 -2.12 0.00 0.00 175.29 173.02 1qbr s LEU 19 N -3.91 3.51 0.23 2.90 1.02 -1.26 -0.35 118.68 120.82 1qbr s LEU 19 Ca 0.35 -0.75 0.05 0.00 0.02 0.00 0.00 54.13 53.79 1qbr s LEU 19 Cb -0.08 -1.78 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 1qbr s LEU 19 CO 0.26 -0.15 -0.04 -0.54 0.02 0.00 0.00 176.35 175.90 1qbr s LYS 20 N 1.42 1.37 0.13 1.70 3.01 0.26 -4.98 119.74 122.65 1qbr s LYS 20 Ca 0.02 -1.68 0.04 0.00 -1.01 0.00 0.00 55.97 53.34 1qbr s LYS 20 Cb -0.17 -0.80 -0.04 0.00 -1.01 0.00 0.00 37.83 35.81 1qbr s LYS 20 CO -0.01 -0.02 0.15 -1.21 0.51 0.00 0.00 175.35 174.77 1qbr s GLU 21 N -3.80 3.03 0.03 1.68 2.02 -1.26 -0.03 118.70 120.37 1qbr s GLU 21 Ca 0.27 -0.73 -0.19 0.00 0.02 0.00 0.00 54.97 54.34 1qbr s GLU 21 Cb 0.04 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.55 1qbr s GLU 21 CO 0.09 0.53 0.43 0.00 0.02 0.00 0.00 175.26 176.32 1qbr s ALA 22 N -1.62 -1.08 -0.13 5.21 0.00 0.53 -4.56 121.76 120.11 1qbr s ALA 22 Ca 0.31 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1qbr s ALA 22 Cb -0.11 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1qbr s ALA 22 CO 0.24 -0.42 0.46 -1.17 0.00 0.00 0.00 175.76 174.87 1qbr s LEU 23 N -1.82 4.27 -0.15 0.00 2.96 0.59 -0.37 118.68 124.15 1qbr s LEU 23 Ca -0.07 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 1qbr s LEU 23 Cb -0.01 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 1qbr s LEU 23 CO -0.00 0.00 0.98 -0.76 -1.32 0.00 0.00 176.35 175.25 1qbr s LEU 24 N 0.65 4.19 -0.29 -0.68 1.43 -0.09 -0.14 118.68 123.75 1qbr s LEU 24 Ca 0.25 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.75 1qbr s LEU 24 Cb -0.15 -3.49 0.10 0.00 0.03 0.00 0.00 46.19 42.68 1qbr s LEU 24 CO 0.10 -0.50 0.10 -0.62 0.23 0.00 0.00 176.35 175.66 1qbr s ASP 25 N 1.14 3.79 0.42 2.29 -1.08 0.44 -4.82 116.67 118.86 1qbr s ASP 25 Ca 0.45 -1.47 0.17 0.00 -0.52 0.00 0.00 52.55 51.18 1qbr s ASP 25 Cb -0.17 -0.70 0.94 0.00 -1.46 0.00 0.00 42.92 41.53 1qbr s ASP 25 CO 0.13 -0.41 1.91 0.71 0.52 0.00 0.00 175.17 178.03 1qbr h THR 26 N 6.47 1.04 -0.05 1.71 1.35 -1.95 -2.65 112.91 118.84 1qbr h THR 26 Ca -0.16 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1qbr h THR 26 Cb 1.02 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1qbr h THR 26 CO 0.45 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1qbr n GLY 27 N -0.56 -0.39 3.50 5.82 0.00 -1.26 -4.73 105.19 107.58 1qbr n GLY 27 Ca -0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1qbr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbr s ALA 28 N -1.94 3.16 0.26 4.61 0.00 -1.00 -4.97 121.76 121.87 1qbr s ALA 28 Ca 0.37 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.49 1qbr s ALA 28 Cb 0.18 -1.87 0.37 0.00 0.00 0.00 0.00 23.12 21.80 1qbr s ALA 28 CO 0.30 -0.12 1.61 -0.44 0.00 0.00 0.00 175.76 177.11 1qbr h ASP 29 N 7.42 0.00 -2.71 0.00 3.32 -1.86 0.26 116.42 122.85 1qbr h ASP 29 Ca -0.36 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.16 1qbr h ASP 29 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1qbr h ASP 29 CO 0.62 0.61 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.34 1qbr s ASP 30 N -6.80 2.87 -0.17 6.45 1.01 -1.26 -2.62 116.67 116.15 1qbr s ASP 30 Ca -0.01 -1.39 -0.09 0.00 0.71 0.00 0.00 52.55 51.76 1qbr s ASP 30 Cb 0.12 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 1qbr s ASP 30 CO 0.76 -0.58 0.15 -0.89 0.21 0.00 0.00 175.17 174.81 1qbr s THR 31 N -3.11 5.43 -0.04 -1.27 2.01 -1.26 -3.36 115.64 114.04 1qbr s THR 31 Ca 0.35 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1qbr s THR 31 Cb 0.09 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 69.16 1qbr s THR 31 CO 0.16 0.50 -0.01 0.54 -0.69 0.00 0.00 174.62 175.12 1qbr s VAL 32 N -0.09 0.29 0.25 3.82 0.11 -0.87 -1.20 120.40 122.72 1qbr s VAL 32 Ca 0.11 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1qbr s VAL 32 Cb -0.11 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1qbr s VAL 32 CO 0.00 0.19 0.04 -0.76 -3.33 0.00 0.00 175.10 171.24 1qbr s LEU 33 N 1.17 3.36 1.23 2.54 1.43 0.67 -1.54 118.68 127.55 1qbr s LEU 33 Ca -0.07 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 1qbr s LEU 33 Cb -0.14 -1.90 0.30 0.00 0.03 0.00 0.00 46.19 44.48 1qbr s LEU 33 CO -0.02 0.01 1.01 -1.61 0.23 0.00 0.00 176.35 175.97 1qbr s GLU 34 N -3.59 -1.44 0.31 1.70 2.02 -1.25 -0.56 118.70 115.89 1qbr s GLU 34 Ca 0.31 0.54 -0.29 0.00 0.02 0.00 0.00 54.97 55.54 1qbr s GLU 34 Cb -0.07 -1.52 -0.11 0.00 0.10 0.00 0.00 34.13 32.53 1qbr s GLU 34 CO 0.21 -3.99 1.54 -1.21 0.02 0.00 0.00 175.26 171.83 1qbr s GLU 35 N -4.72 4.14 0.26 1.61 0.41 -1.23 -4.29 118.70 114.88 1qbr s GLU 35 Ca 0.68 2.53 -0.21 0.00 -0.41 0.00 0.00 54.97 57.56 1qbr s GLU 35 Cb -0.20 -3.02 0.04 0.00 -1.78 0.00 0.00 34.13 29.16 1qbr s GLU 35 CO 0.62 -0.57 0.80 0.00 -0.49 0.00 0.00 175.26 175.62 1qbr s MET 36 N -0.95 1.68 -0.23 1.61 0.23 -1.26 -5.04 119.30 115.33 1qbr s MET 36 Ca 0.60 -0.95 -0.17 0.00 -1.03 0.00 0.00 55.69 54.13 1qbr s MET 36 Cb -0.47 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1qbr s MET 36 CO 0.52 -0.77 0.47 -1.54 -2.03 0.00 0.00 175.02 171.66 1qbr s SER 37 N -2.96 6.44 0.06 -1.18 1.04 -1.26 -5.04 113.70 110.81 1qbr s SER 37 Ca 0.12 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.16 1qbr s SER 37 Cb -0.05 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1qbr s SER 37 CO 0.06 -0.19 -0.21 -0.76 0.98 0.00 0.00 173.24 173.12 1qbr s LEU 38 N 1.87 2.48 0.41 2.42 1.43 -1.26 -4.98 118.68 121.05 1qbr s LEU 38 Ca 0.20 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 1qbr s LEU 38 Cb -0.15 -1.43 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 1qbr s LEU 38 CO 0.09 0.24 0.82 -2.16 0.23 0.00 0.00 176.35 175.57 1qbr s PRO 39 N -1.57 3.92 0.00 1.29 0.04 -1.26 -4.95 135.00 132.46 1qbr s PRO 39 Ca 0.14 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1qbr s PRO 39 Cb -0.10 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1qbr s PRO 39 CO 0.05 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1qbr n GLY 40 N -1.02 0.19 3.43 0.56 0.00 -1.26 -5.01 105.19 102.08 1qbr n GLY 40 Ca 0.04 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1qbr n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qbr s ARG 41 N 0.00 1.53 0.34 1.61 1.70 -1.26 -5.13 118.95 117.74 1qbr s ARG 41 Ca 0.00 -1.51 -0.09 0.00 -0.47 0.00 0.00 55.73 53.66 1qbr s ARG 41 Cb 0.00 -1.86 0.02 0.00 -0.57 0.00 0.00 34.95 32.54 1qbr s ARG 41 CO 0.00 0.40 0.57 1.67 -1.08 0.00 0.00 175.30 176.87 1qbr s TRP 42 N -1.65 0.64 0.07 5.89 1.48 -1.26 -4.57 118.94 119.53 1qbr s TRP 42 Ca 0.21 -1.03 -0.11 0.00 -1.06 0.00 0.00 56.10 54.11 1qbr s TRP 42 Cb -0.08 0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.49 1qbr s TRP 42 CO 0.10 -1.24 0.23 -1.59 -4.06 0.00 0.00 176.95 170.39 1qbr s LYS 43 N -3.02 0.80 0.24 3.25 -2.85 -0.81 -4.91 119.74 112.44 1qbr s LYS 43 Ca 0.24 -0.73 -0.26 0.00 -1.00 0.00 0.00 55.97 54.23 1qbr s LYS 43 Cb -0.02 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 1qbr s LYS 43 CO 0.15 -0.26 0.85 -1.25 0.10 0.00 0.00 175.35 174.95 1qbr s PRO 44 N -3.14 4.58 0.22 1.78 0.04 -1.26 0.17 135.00 137.39 1qbr s PRO 44 Ca -0.01 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1qbr s PRO 44 Cb 0.01 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1qbr s PRO 44 CO -0.07 0.44 0.15 0.21 0.04 0.00 0.00 177.00 177.77 1qbr s LYS 45 N -1.57 1.28 0.02 4.56 2.20 0.10 -4.89 119.74 121.43 1qbr s LYS 45 Ca 0.42 -1.69 0.03 0.00 -0.36 0.00 0.00 55.97 54.38 1qbr s LYS 45 Cb -0.21 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1qbr s LYS 45 CO 0.26 -0.42 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.10 1qbr s MET 46 N -4.07 0.67 0.15 4.03 -1.94 -1.26 -0.22 119.30 116.66 1qbr s MET 46 Ca 0.39 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.93 1qbr s MET 46 Cb 0.06 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 1qbr s MET 46 CO 0.14 0.15 -0.12 0.96 -0.01 0.00 0.00 175.02 176.15 1qbr s ILE 47 N -0.60 1.27 0.50 2.53 -4.36 0.22 -4.95 121.20 115.81 1qbr s ILE 47 Ca -0.00 -1.97 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1qbr s ILE 47 Cb -0.06 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.93 1qbr s ILE 47 CO 0.00 -0.63 0.56 -0.83 0.24 0.00 0.00 174.94 174.28 1qbr s GLY 48 N -2.96 2.03 -0.00 6.27 0.00 -1.26 -1.18 107.32 110.21 1qbr s GLY 48 Ca 0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 1qbr s GLY 48 CO 0.02 -1.72 0.05 0.61 0.00 0.00 0.00 173.10 172.06 1qbr n GLY 49 N -1.89 0.50 3.70 0.20 0.00 -0.69 -4.91 105.19 102.09 1qbr n GLY 49 Ca 0.07 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1qbr n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qbr s ILE 50 N -2.08 3.68 -1.28 -0.61 1.01 -1.26 -3.02 121.20 117.65 1qbr s ILE 50 Ca 0.01 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1qbr s ILE 50 Cb -0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1qbr s ILE 50 CO -0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1qbr n GLY 51 N 3.52 0.98 0.00 6.18 0.00 -1.26 -4.92 105.19 109.68 1qbr n GLY 51 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1qbr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbr n GLY 52 N -1.32 0.07 3.02 -0.02 0.00 -1.17 -5.06 105.19 100.72 1qbr n GLY 52 Ca -0.13 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 1qbr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qbr s PHE 53 N -2.40 1.90 0.22 1.61 0.40 -1.26 -1.70 117.98 116.75 1qbr s PHE 53 Ca 0.00 -0.93 0.06 0.00 -0.60 0.00 0.00 56.93 55.46 1qbr s PHE 53 Cb 0.00 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1qbr s PHE 53 CO 0.00 -0.51 0.23 0.96 0.70 0.00 0.00 175.22 176.60 1qbr s ILE 54 N 1.18 4.71 -0.15 0.64 -4.36 -0.32 -4.92 121.20 117.99 1qbr s ILE 54 Ca -0.03 -1.19 -0.07 0.00 -0.26 0.00 0.00 60.65 59.10 1qbr s ILE 54 Cb -0.14 -3.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 1qbr s ILE 54 CO -0.04 -0.28 0.11 -0.75 0.24 0.00 0.00 174.94 174.21 1qbr s LYS 55 N -3.68 3.68 0.09 0.37 2.20 -1.26 -0.61 119.74 120.52 1qbr s LYS 55 Ca 0.33 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1qbr s LYS 55 Cb -0.09 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1qbr s LYS 55 CO 0.26 0.55 -0.05 0.54 -0.36 0.00 0.00 175.35 176.29 1qbr s VAL 56 N -0.38 0.56 -0.04 4.02 0.11 0.70 -4.59 120.40 120.76 1qbr s VAL 56 Ca 0.11 -1.90 0.05 0.00 -2.93 0.00 0.00 61.98 57.30 1qbr s VAL 56 Cb -0.12 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1qbr s VAL 56 CO 0.01 -0.89 -0.17 0.00 -3.33 0.00 0.00 175.10 170.72 1qbr s ARG 57 N -3.86 2.43 -0.26 1.54 1.70 0.00 -0.72 118.95 119.78 1qbr s ARG 57 Ca 0.11 -0.76 -0.09 0.00 -0.47 0.00 0.00 55.73 54.52 1qbr s ARG 57 Cb 0.06 -2.30 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 1qbr s ARG 57 CO -0.06 0.59 0.13 -1.14 -1.08 0.00 0.00 175.30 173.74 1qbr s GLN 58 N -0.66 3.85 -0.10 3.89 0.74 0.13 -0.50 119.66 127.00 1qbr s GLN 58 Ca 0.10 -0.38 -0.00 0.00 0.05 0.00 0.00 55.36 55.13 1qbr s GLN 58 Cb -0.11 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1qbr s GLN 58 CO 0.00 -0.13 -0.08 0.71 -0.55 0.00 0.00 175.29 175.24 1qbr s TYR 59 N 1.54 2.91 0.29 1.67 1.51 0.04 -1.93 117.35 123.38 1qbr s TYR 59 Ca 0.06 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 1qbr s TYR 59 Cb -0.15 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1qbr s TYR 59 CO 0.07 0.12 0.29 -0.51 -1.11 0.00 0.00 175.55 174.41 1qbr s ASP 60 N -0.29 5.60 -1.46 2.29 1.11 -1.26 -0.94 116.67 121.73 1qbr s ASP 60 Ca 0.04 -0.29 -0.05 0.00 0.18 0.00 0.00 52.55 52.43 1qbr s ASP 60 Cb -0.13 -1.28 0.02 0.00 1.07 0.00 0.00 42.92 42.60 1qbr s ASP 60 CO 0.03 -0.21 0.44 0.00 1.18 0.00 0.00 175.17 176.61 1qbr n GLN 61 N -1.34 -3.86 -3.15 8.23 3.00 -1.17 -4.86 117.38 114.24 1qbr n GLN 61 Ca -0.05 0.77 -0.39 0.00 -0.01 0.00 0.00 57.00 57.32 1qbr n GLN 61 Cb 0.58 -5.55 -0.05 0.00 0.00 0.00 0.00 30.24 25.23 1qbr n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1qbr s ILE 62 N -3.04 5.04 0.14 5.09 1.09 0.39 -4.70 121.20 125.22 1qbr s ILE 62 Ca 0.26 1.28 -0.30 0.00 -1.10 0.00 0.00 60.65 60.79 1qbr s ILE 62 Cb -0.13 -3.96 -0.07 0.00 -1.06 0.00 0.00 42.46 37.24 1qbr s ILE 62 CO 0.32 0.31 1.23 -0.22 -0.10 0.00 0.00 174.94 176.49 1qbr s LEU 63 N 0.50 4.41 -0.01 2.97 2.96 -1.26 -1.68 118.68 126.57 1qbr s LEU 63 Ca 0.33 2.20 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 1qbr s LEU 63 Cb -0.17 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1qbr s LEU 63 CO 0.16 -0.45 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.18 1qbr s ILE 64 N 0.41 0.42 -0.18 6.68 2.07 0.73 -4.49 121.20 126.84 1qbr s ILE 64 Ca 0.56 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1qbr s ILE 64 Cb -0.33 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 1qbr s ILE 64 CO 0.34 0.14 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.87 1qbr s GLU 65 N 0.20 3.61 -0.15 3.50 2.02 -0.68 -0.84 118.70 126.36 1qbr s GLU 65 Ca -0.02 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1qbr s GLU 65 Cb -0.06 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.24 1qbr s GLU 65 CO -0.00 0.11 -0.03 0.42 0.02 0.00 0.00 175.26 175.78 1qbr s ILE 66 N 0.70 0.89 0.00 -1.63 1.01 0.01 -0.49 121.20 121.69 1qbr s ILE 66 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1qbr s ILE 66 Cb -0.14 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1qbr s ILE 66 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1qbr n GLY 68 N 0.00 0.41 3.91 0.00 0.00 -1.26 -4.95 105.19 103.30 1qbr n GLY 68 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qbr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qbr s HIS 69 N -0.08 3.50 -0.09 1.61 4.02 -0.25 -5.03 115.29 118.97 1qbr s HIS 69 Ca 0.00 0.38 -0.09 0.00 1.02 0.00 0.00 55.06 56.37 1qbr s HIS 69 Cb 0.00 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.58 29.65 1qbr s HIS 69 CO 0.00 0.53 0.21 0.15 1.02 0.00 0.00 174.74 176.65 1qbr s LYS 70 N -2.55 3.57 0.04 1.40 1.02 -1.26 -0.81 119.74 121.15 1qbr s LYS 70 Ca 0.37 0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.34 1qbr s LYS 70 Cb -0.13 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1qbr s LYS 70 CO 0.26 0.76 0.04 0.00 -0.92 0.00 0.00 175.35 175.49 1qbr s ALA 71 N -1.05 0.13 -0.03 5.17 0.00 -0.02 -4.96 121.76 121.00 1qbr s ALA 71 Ca 0.17 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1qbr s ALA 71 Cb -0.13 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1qbr s ALA 71 CO 0.07 -0.32 -0.17 0.42 0.00 0.00 0.00 175.76 175.75 1qbr s ILE 72 N -2.93 1.36 -0.01 0.00 1.01 -1.26 -0.20 121.20 119.18 1qbr s ILE 72 Ca -0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1qbr s ILE 72 Cb 0.01 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1qbr s ILE 72 CO -0.06 0.39 0.45 0.61 0.00 0.00 0.00 174.94 176.33 1qbr n GLY 73 N 2.87 0.50 3.73 6.18 0.00 -0.67 -4.90 105.19 112.90 1qbr n GLY 73 Ca -0.16 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1qbr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbr s THR 74 N -2.11 3.94 -0.01 2.61 2.01 -1.26 -0.46 115.64 120.36 1qbr s THR 74 Ca 0.11 1.59 0.05 0.00 0.31 0.00 0.00 61.69 63.75 1qbr s THR 74 Cb -0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1qbr s THR 74 CO -0.00 0.24 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 1qbr s VAL 75 N 0.09 1.21 -0.14 3.82 1.01 -0.11 -4.56 120.40 121.71 1qbr s VAL 75 Ca 0.51 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1qbr s VAL 75 Cb -0.29 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1qbr s VAL 75 CO 0.33 0.34 -0.01 -0.76 0.00 0.00 0.00 175.10 175.01 1qbr s LEU 76 N -0.33 3.46 -0.11 3.92 1.02 -0.34 -0.78 118.68 125.51 1qbr s LEU 76 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1qbr s LEU 76 Cb -0.06 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 1qbr s LEU 76 CO -0.00 0.23 -0.11 -0.69 0.02 0.00 0.00 176.35 175.79 1qbr s VAL 77 N 0.04 3.27 -0.06 -1.59 1.01 0.34 -0.24 120.40 123.17 1qbr s VAL 77 Ca 0.02 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1qbr s VAL 77 Cb -0.13 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 33.97 1qbr s VAL 77 CO 0.02 0.54 1.18 0.61 0.00 0.00 0.00 175.10 177.45 1qbr n GLY 78 N 3.17 0.17 2.52 4.51 0.00 0.27 -0.82 105.19 115.01 1qbr n GLY 78 Ca -0.18 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1qbr n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qbr n PRO 79 N -0.85 2.66 -2.77 1.61 -0.04 -1.26 -3.53 135.00 130.81 1qbr n PRO 79 Ca 0.05 -1.75 -0.31 0.00 -0.04 0.00 0.00 63.50 61.45 1qbr n PRO 79 Cb 0.51 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 1qbr n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qbr s THR 80 N 3.01 4.67 0.35 0.52 -1.32 -1.26 -4.93 115.64 116.68 1qbr s THR 80 Ca 0.51 0.90 0.27 0.00 -1.21 0.00 0.00 61.69 62.16 1qbr s THR 80 Cb 0.13 -3.70 0.29 0.00 -1.51 0.00 0.00 72.50 67.71 1qbr s THR 80 CO -0.04 -0.50 2.03 -0.65 -2.21 0.00 0.00 174.62 173.25 1qbr h PRO 81 N 1.37 0.00 -2.76 7.08 0.11 -1.99 -3.44 132.00 132.37 1qbr h PRO 81 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1qbr h PRO 81 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1qbr h PRO 81 CO 0.63 0.13 -0.18 0.54 -0.21 0.00 0.00 178.00 178.92 1qbr s VAL 82 N -4.06 0.03 0.20 3.15 0.11 -1.26 -5.06 120.40 113.51 1qbr s VAL 82 Ca -0.02 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 1qbr s VAL 82 Cb 0.12 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.21 1qbr s VAL 82 CO 0.59 -0.14 1.38 0.20 -3.33 0.00 0.00 175.10 173.80 1qbr s ASN 83 N -0.87 6.79 -0.06 3.54 0.01 -1.26 -4.65 114.94 118.44 1qbr s ASN 83 Ca -0.09 2.48 0.01 0.00 -0.71 0.00 0.00 52.86 54.55 1qbr s ASN 83 Cb -0.04 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1qbr s ASN 83 CO 0.04 -0.62 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.33 1qbr s ILE 84 N 0.34 0.61 -0.34 0.60 1.01 -0.59 -0.30 121.20 122.53 1qbr s ILE 84 Ca 0.60 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 1qbr s ILE 84 Cb -0.39 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1qbr s ILE 84 CO 0.38 0.25 0.17 -0.63 0.00 0.00 0.00 174.94 175.11 1qbr s ILE 85 N 1.09 4.46 0.13 2.92 -1.09 0.80 -2.04 121.20 127.48 1qbr s ILE 85 Ca -0.08 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1qbr s ILE 85 Cb -0.14 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1qbr s ILE 85 CO -0.01 -0.11 0.13 0.61 -1.23 0.00 0.00 174.94 174.34 1qbr n GLY 86 N 4.97 2.60 0.33 6.18 0.00 -1.21 -0.42 105.19 117.63 1qbr n GLY 86 Ca -0.13 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.81 1qbr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qbr h ARG 87 N 0.00 0.31 -0.92 1.61 3.08 -0.55 -1.11 114.38 116.79 1qbr h ARG 87 Ca -0.08 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.16 1qbr h ARG 87 Cb 0.30 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1qbr h ARG 87 CO 0.12 0.21 0.60 -2.95 -1.07 0.00 0.00 179.97 176.88 1qbr h ASN 88 N 0.32 0.46 0.15 7.04 -1.07 -1.76 -1.52 115.58 119.21 1qbr h ASN 88 Ca 0.20 0.05 -0.35 0.00 0.07 0.00 0.00 56.30 56.27 1qbr h ASN 88 Cb 0.38 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.54 1qbr h ASN 88 CO -0.04 0.18 -2.16 0.18 0.07 0.00 0.00 177.43 175.66 1qbr n LEU 89 N -4.54 1.38 0.17 6.14 4.77 -0.54 -4.21 117.00 120.17 1qbr n LEU 89 Ca 0.20 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 1qbr n LEU 89 Cb 0.69 -0.20 0.71 0.00 -2.33 0.00 0.00 43.42 42.29 1qbr n LEU 89 CO 0.29 0.63 1.12 -0.07 -1.33 0.00 0.00 177.39 178.04 1qbr h LEU 90 N 0.01 0.00 -1.20 2.23 3.38 -0.85 0.27 115.31 119.15 1qbr h LEU 90 Ca -0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1qbr h LEU 90 Cb 2.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 1qbr h LEU 90 CO 0.03 0.00 -0.39 0.71 0.09 0.00 0.00 178.44 178.87 1qbr h THR 91 N 0.00 1.22 0.00 0.22 1.35 -1.46 -1.44 112.91 112.81 1qbr h THR 91 Ca 0.10 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1qbr h THR 91 Cb 0.41 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1qbr h THR 91 CO -0.00 0.39 -0.02 1.56 -0.25 0.00 0.00 175.52 177.19 1qbr h GLN 92 N 0.00 0.00 -0.02 4.72 4.20 -0.66 -2.91 115.11 120.44 1qbr h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qbr h GLN 92 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1qbr h GLN 92 CO 0.05 0.00 -0.03 0.44 -0.67 0.00 0.00 178.83 178.63 1qbr n ILE 93 N -2.70 0.00 -0.95 2.54 -5.35 -0.93 -4.95 119.36 107.01 1qbr n ILE 93 Ca 0.05 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1qbr n ILE 93 Cb 0.48 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1qbr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qbr n GLY 94 N 1.31 0.41 3.76 3.28 0.00 -1.07 -5.02 105.19 107.86 1qbr n GLY 94 Ca 0.15 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1qbr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbr s ALA 95 N -2.00 3.52 -0.01 4.61 0.00 -0.56 -5.02 121.76 122.29 1qbr s ALA 95 Ca 0.00 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1qbr s ALA 95 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1qbr s ALA 95 CO 0.00 -0.64 -0.17 0.95 0.00 0.00 0.00 175.76 175.90 1qbr s THR 96 N -0.84 1.36 -0.11 0.00 -4.23 -1.26 -4.81 115.64 105.74 1qbr s THR 96 Ca 0.51 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 60.12 1qbr s THR 96 Cb -0.40 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1qbr s THR 96 CO 0.50 0.38 0.44 -0.22 -0.54 0.00 0.00 174.62 175.18 1qbr s LEU 97 N -0.39 4.30 -0.31 4.79 0.20 -1.26 -5.01 118.68 120.99 1qbr s LEU 97 Ca 0.06 0.78 -0.02 0.00 0.69 0.00 0.00 54.13 55.65 1qbr s LEU 97 Cb -0.07 -2.63 0.10 0.00 -0.43 0.00 0.00 46.19 43.17 1qbr s LEU 97 CO -0.01 0.06 0.12 0.21 -0.29 0.00 0.00 176.35 176.45 1qbr s ASN 98 N 0.36 3.80 0.00 3.68 2.47 -1.26 -5.29 114.94 118.69 1qbr s ASN 98 Ca 0.24 -1.61 0.15 0.00 0.42 0.00 0.00 52.86 52.06 1qbr s ASN 98 Cb -0.15 -0.68 0.12 0.00 -1.45 0.00 0.00 41.25 39.09 1qbr s ASN 98 CO 0.10 -0.41 0.98 2.22 -3.72 0.00 0.00 177.10 176.27