#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5q s GLN 2 N 0.00 1.73 -0.16 0.54 0.74 -1.26 -5.11 119.66 116.14 2r5q s GLN 2 Ca 0.00 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 54.99 2r5q s GLN 2 Cb 0.00 -1.46 -0.01 0.00 1.10 0.00 0.00 33.01 32.65 2r5q s GLN 2 CO 0.00 0.00 -0.12 0.42 -0.55 0.00 0.00 175.29 175.04 2r5q s ILE 3 N 0.76 2.95 0.57 -2.34 1.01 -1.26 -5.12 121.20 117.77 2r5q s ILE 3 Ca -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 2r5q s ILE 3 Cb -0.16 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2r5q s ILE 3 CO 0.03 0.50 0.89 0.42 0.00 0.00 0.00 174.94 176.77 2r5q s THR 4 N 0.84 4.12 -0.53 2.92 -4.23 -1.26 -5.02 115.64 112.48 2r5q s THR 4 Ca -0.04 0.16 0.15 0.00 -1.18 0.00 0.00 61.69 60.78 2r5q s THR 4 Cb -0.15 -3.62 0.51 0.00 1.34 0.00 0.00 72.50 70.59 2r5q s THR 4 CO 0.00 -0.65 1.43 0.18 -0.54 0.00 0.00 174.62 175.04 2r5q n LEU 5 N -2.52 3.87 0.31 4.79 4.77 -1.26 -4.59 117.00 122.37 2r5q n LEU 5 Ca 0.04 -2.64 0.17 0.00 -0.03 0.00 0.00 56.01 53.55 2r5q n LEU 5 Cb 0.56 -0.47 0.99 0.00 -2.33 0.00 0.00 43.42 42.17 2r5q n LEU 5 CO 0.54 0.71 1.13 -0.50 -1.33 0.00 0.00 177.39 177.93 2r5q h TRP 6 N 2.34 0.00 -3.95 -1.77 4.06 -2.06 -3.42 115.95 111.15 2r5q h TRP 6 Ca 0.00 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.69 2r5q h TRP 6 Cb 1.28 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.29 2r5q h TRP 6 CO 0.50 0.01 -0.66 -1.59 -3.56 0.00 0.00 178.44 173.14 2r5q s LYS 7 N -4.45 1.07 0.19 0.49 -2.85 -1.26 -5.11 119.74 107.82 2r5q s LYS 7 Ca -0.05 -1.52 -0.33 0.00 -1.00 0.00 0.00 55.97 53.08 2r5q s LYS 7 Cb 0.14 -0.13 -0.14 0.00 -2.06 0.00 0.00 37.83 35.65 2r5q s LYS 7 CO 0.51 -0.17 1.46 0.54 0.10 0.00 0.00 175.35 177.79 2r5q n ARG 8 N -0.21 1.98 -2.56 1.78 1.74 -1.26 -4.85 116.66 113.29 2r5q n ARG 8 Ca -0.06 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 2r5q n ARG 8 Cb 0.63 -2.41 -0.01 0.00 -1.02 0.00 0.00 32.46 29.66 2r5q n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2r5q s PRO 9 N 0.19 3.83 0.01 5.56 0.04 -1.26 -4.95 135.00 138.41 2r5q s PRO 9 Ca 0.74 -1.72 -0.16 0.00 0.04 0.00 0.00 61.00 59.90 2r5q s PRO 9 Cb -0.69 -5.48 -0.06 0.00 0.04 0.00 0.00 34.50 28.31 2r5q s PRO 9 CO 0.45 -2.30 0.44 -0.51 0.04 0.00 0.00 177.00 175.12 2r5q s LEU 10 N 4.65 4.47 0.10 -3.56 1.43 -1.26 -1.96 118.68 122.56 2r5q s LEU 10 Ca 0.52 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2r5q s LEU 10 Cb 0.03 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2r5q s LEU 10 CO 0.03 0.30 -0.03 0.68 0.23 0.00 0.00 176.35 177.56 2r5q s VAL 11 N -0.98 0.48 0.05 -1.59 -7.23 -0.51 -4.97 120.40 105.65 2r5q s VAL 11 Ca 0.25 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 2r5q s VAL 11 Cb -0.17 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 2r5q s VAL 11 CO 0.14 -0.78 0.54 -0.44 -0.31 0.00 0.00 175.10 174.25 2r5q s SER 12 N -3.03 7.00 0.09 4.85 0.01 -1.26 -1.23 113.70 120.12 2r5q s SER 12 Ca 0.14 1.18 0.02 0.00 1.31 0.00 0.00 55.95 58.61 2r5q s SER 12 Cb 0.06 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2r5q s SER 12 CO -0.04 0.27 -0.07 0.27 0.41 0.00 0.00 173.24 174.08 2r5q s ILE 13 N -1.00 0.73 -0.15 1.44 -4.36 0.63 -4.28 121.20 114.22 2r5q s ILE 13 Ca 0.28 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2r5q s ILE 13 Cb -0.19 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.06 2r5q s ILE 13 CO 0.18 -0.75 -0.17 -0.75 0.24 0.00 0.00 174.94 173.69 2r5q s LYS 14 N -3.34 2.55 -0.02 0.37 2.20 -0.83 -0.38 119.74 120.29 2r5q s LYS 14 Ca 0.08 -0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2r5q s LYS 14 Cb 0.02 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2r5q s LYS 14 CO -0.03 -0.18 0.09 0.54 -0.36 0.00 0.00 175.35 175.41 2r5q s VAL 15 N 1.28 0.04 -1.32 4.02 0.11 -0.26 -1.62 120.40 122.64 2r5q s VAL 15 Ca 0.02 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 2r5q s VAL 15 Cb -0.14 -0.23 0.06 0.00 -1.53 0.00 0.00 36.38 34.54 2r5q s VAL 15 CO -0.09 -0.16 0.50 0.61 -3.33 0.00 0.00 175.10 172.63 2r5q n GLY 16 N 2.46 -0.49 2.70 6.54 0.00 -1.26 -0.74 105.19 114.40 2r5q n GLY 16 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2r5q n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5q n GLY 17 N -1.23 0.49 3.43 -0.02 0.00 -1.26 -4.89 105.19 101.71 2r5q n GLY 17 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2r5q n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r5q s GLN 18 N -0.49 1.53 -0.09 1.61 -0.21 0.09 -5.12 119.66 116.97 2r5q s GLN 18 Ca 0.00 -1.44 -0.15 0.00 0.02 0.00 0.00 55.36 53.79 2r5q s GLN 18 Cb 0.00 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 2r5q s GLN 18 CO 0.00 0.42 0.39 0.42 -2.12 0.00 0.00 175.29 174.40 2r5q s ILE 19 N -1.46 5.18 0.16 1.08 -1.09 -1.26 -1.10 121.20 122.71 2r5q s ILE 19 Ca 0.19 0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 59.33 2r5q s ILE 19 Cb -0.09 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2r5q s ILE 19 CO 0.09 0.43 0.18 -0.54 -1.23 0.00 0.00 174.94 173.87 2r5q s LYS 20 N -0.01 1.08 -0.16 2.79 1.02 0.49 -4.97 119.74 119.98 2r5q s LYS 20 Ca 0.22 -1.35 -0.07 0.00 0.02 0.00 0.00 55.97 54.79 2r5q s LYS 20 Cb -0.15 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2r5q s LYS 20 CO 0.09 -0.36 0.09 -2.00 -0.92 0.00 0.00 175.35 172.25 2r5q s GLU 21 N -4.03 3.81 0.13 1.68 2.12 -1.26 -0.27 118.70 120.88 2r5q s GLU 21 Ca 0.23 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2r5q s GLU 21 Cb 0.05 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2r5q s GLU 21 CO 0.03 0.44 -0.03 0.00 -0.54 0.00 0.00 175.26 175.16 2r5q s ALA 22 N -0.09 1.08 -0.20 6.30 0.00 -0.37 -4.25 121.76 124.23 2r5q s ALA 22 Ca 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 2r5q s ALA 22 Cb -0.12 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2r5q s ALA 22 CO 0.01 -0.30 0.01 -1.17 0.00 0.00 0.00 175.76 174.31 2r5q s LEU 23 N -3.08 3.33 -0.35 0.00 2.96 0.21 -1.43 118.68 120.32 2r5q s LEU 23 Ca 0.17 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 2r5q s LEU 23 Cb 0.06 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 2r5q s LEU 23 CO -0.01 0.07 1.50 -0.76 -1.32 0.00 0.00 176.35 175.83 2r5q s LEU 24 N 0.98 3.66 -0.40 -0.68 1.43 -0.83 -1.09 118.68 121.75 2r5q s LEU 24 Ca 0.02 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 2r5q s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2r5q s LEU 24 CO 0.02 -1.41 0.13 -0.62 0.23 0.00 0.00 176.35 174.70 2r5q s ASP 25 N 4.22 4.53 0.15 2.29 -1.08 -0.27 -4.79 116.67 121.72 2r5q s ASP 25 Ca 0.66 -2.41 0.20 0.00 -0.52 0.00 0.00 52.55 50.48 2r5q s ASP 25 Cb -0.18 -1.55 0.84 0.00 -1.46 0.00 0.00 42.92 40.57 2r5q s ASP 25 CO 0.31 -0.33 1.62 0.35 0.52 0.00 0.00 175.17 177.63 2r5q n THR 26 N 3.91 0.88 0.77 1.71 -2.24 -1.26 -2.18 114.28 115.87 2r5q n THR 26 Ca 0.04 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 2r5q n THR 26 Cb 0.39 -1.07 0.23 0.00 -2.10 0.00 0.00 70.33 67.77 2r5q n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r5q n GLY 27 N 0.05 0.85 3.24 3.38 0.00 -1.26 -4.82 105.19 106.63 2r5q n GLY 27 Ca 0.03 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2r5q n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5q s ALA 28 N -1.52 2.10 0.08 4.61 0.00 -0.93 -5.00 121.76 121.10 2r5q s ALA 28 Ca 0.29 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.37 2r5q s ALA 28 Cb 0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2r5q s ALA 28 CO 0.21 0.37 1.39 -0.44 0.00 0.00 0.00 175.76 177.28 2r5q h ASP 29 N 6.28 0.00 -1.82 0.00 3.32 -1.87 0.41 116.42 122.72 2r5q h ASP 29 Ca -0.28 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.16 2r5q h ASP 29 Cb 1.19 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 2r5q h ASP 29 CO 0.47 0.80 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.36 2r5q s ASP 30 N -6.65 3.98 -0.24 6.45 1.01 -1.26 -2.87 116.67 117.09 2r5q s ASP 30 Ca 0.01 -1.17 -0.07 0.00 0.71 0.00 0.00 52.55 52.04 2r5q s ASP 30 Cb 0.10 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 2r5q s ASP 30 CO 0.79 -0.31 0.06 -0.89 0.21 0.00 0.00 175.17 175.02 2r5q s THR 31 N -2.61 4.25 -0.02 -1.27 2.01 -1.26 -2.38 115.64 114.36 2r5q s THR 31 Ca 0.35 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2r5q s THR 31 Cb 0.04 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 2r5q s THR 31 CO 0.18 0.35 -0.12 0.54 -0.69 0.00 0.00 174.62 174.89 2r5q s VAL 32 N 1.52 0.96 0.05 3.82 0.11 -0.28 0.12 120.40 126.70 2r5q s VAL 32 Ca 0.06 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2r5q s VAL 32 Cb -0.15 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2r5q s VAL 32 CO 0.03 0.28 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.34 2r5q s ILE 33 N -0.03 0.87 0.97 7.04 1.01 0.98 0.16 121.20 132.20 2r5q s ILE 33 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 2r5q s ILE 33 Cb -0.07 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.61 2r5q s ILE 33 CO 0.00 -0.20 0.49 -1.84 0.00 0.00 0.00 174.94 173.39 2r5q n GLU 34 N 1.60 -0.50 -1.63 2.79 0.28 -1.25 -1.10 120.64 120.83 2r5q n GLU 34 Ca -0.20 -0.10 -0.55 0.00 -0.16 0.00 0.00 57.16 56.14 2r5q n GLU 34 Cb 0.55 -1.92 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 2r5q n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2r5q n GLU 35 N -2.19 0.98 -3.49 3.44 4.07 -1.25 -4.62 120.64 117.59 2r5q n GLU 35 Ca 0.07 0.36 -0.12 0.00 -0.06 0.00 0.00 57.16 57.40 2r5q n GLU 35 Cb 0.54 -1.99 -0.03 0.00 -0.06 0.00 0.00 31.44 29.90 2r5q n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2r5q s ILE 36 N 1.61 0.02 -0.35 6.31 2.07 -1.26 -5.07 121.20 124.52 2r5q s ILE 36 Ca 0.91 -0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.79 2r5q s ILE 36 Cb -1.05 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 40.51 2r5q s ILE 36 CO 0.56 -0.08 0.66 0.00 -1.91 0.00 0.00 174.94 174.16 2r5q s ALA 37 N -3.36 3.47 0.07 1.50 0.00 -1.26 -5.05 121.76 117.13 2r5q s ALA 37 Ca -0.01 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.26 2r5q s ALA 37 Cb -0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2r5q s ALA 37 CO -0.09 -1.31 -0.24 -0.51 0.00 0.00 0.00 175.76 173.60 2r5q s LEU 38 N 2.75 2.21 0.67 0.00 1.43 -1.26 -4.77 118.68 119.71 2r5q s LEU 38 Ca 0.26 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2r5q s LEU 38 Cb -0.14 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2r5q s LEU 38 CO 0.14 0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 2r5q s PRO 39 N -1.47 3.13 0.05 1.29 0.04 -1.26 -4.97 135.00 131.79 2r5q s PRO 39 Ca 0.10 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2r5q s PRO 39 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2r5q s PRO 39 CO 0.03 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2r5q n GLY 40 N -2.65 -3.43 3.88 0.56 0.00 -1.26 -4.94 105.19 97.35 2r5q n GLY 40 Ca 0.07 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 2r5q n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r5q s ARG 41 N -0.87 3.69 0.35 1.61 0.52 -1.26 -5.10 118.95 117.89 2r5q s ARG 41 Ca 0.00 0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.35 2r5q s ARG 41 Cb 0.00 -2.89 -0.06 0.00 0.52 0.00 0.00 34.95 32.52 2r5q s ARG 41 CO 0.00 0.49 -0.03 1.67 0.02 0.00 0.00 175.30 177.45 2r5q s TRP 42 N -1.57 2.47 0.10 -0.53 1.48 -1.26 -4.68 118.94 114.96 2r5q s TRP 42 Ca 0.38 -0.50 0.09 0.00 -1.06 0.00 0.00 56.10 55.01 2r5q s TRP 42 Cb -0.13 -1.49 -0.03 0.00 -1.16 0.00 0.00 33.47 30.66 2r5q s TRP 42 CO 0.21 0.52 -0.23 0.15 -4.06 0.00 0.00 176.95 173.54 2r5q s LYS 43 N -3.67 1.27 0.60 3.25 1.02 -0.84 -4.89 119.74 116.47 2r5q s LYS 43 Ca 0.34 -1.19 -0.17 0.00 0.02 0.00 0.00 55.97 54.97 2r5q s LYS 43 Cb 0.03 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2r5q s LYS 43 CO 0.18 0.38 1.10 -1.25 -0.92 0.00 0.00 175.35 174.84 2r5q s PRO 44 N -1.84 3.13 -0.16 -1.68 0.04 -1.26 -0.65 135.00 132.58 2r5q s PRO 44 Ca 0.09 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2r5q s PRO 44 Cb -0.10 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2r5q s PRO 44 CO 0.04 -0.99 0.71 0.21 0.04 0.00 0.00 177.00 177.01 2r5q s LYS 45 N -3.76 0.94 -0.12 4.56 2.20 -0.80 -4.80 119.74 117.96 2r5q s LYS 45 Ca 0.68 0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.90 2r5q s LYS 45 Cb -0.21 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2r5q s LYS 45 CO 0.34 -0.22 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.39 2r5q s MET 46 N -0.43 3.25 -0.07 4.03 -1.94 -1.26 -0.49 119.30 122.39 2r5q s MET 46 Ca -0.05 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 2r5q s MET 46 Cb -0.02 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.14 2r5q s MET 46 CO 0.05 0.37 -0.11 0.96 -0.01 0.00 0.00 175.02 176.28 2r5q s ILE 47 N -0.02 1.07 -0.40 2.53 -4.36 -1.08 -4.97 121.20 113.98 2r5q s ILE 47 Ca -0.01 -0.42 -0.18 0.00 -0.26 0.00 0.00 60.65 59.78 2r5q s ILE 47 Cb -0.14 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.59 2r5q s ILE 47 CO 0.03 0.34 0.48 -0.83 0.24 0.00 0.00 174.94 175.20 2r5q s GLY 48 N 0.81 1.85 0.00 6.27 0.00 -1.26 -2.54 107.32 112.45 2r5q s GLY 48 Ca -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2r5q s GLY 48 CO 0.02 1.22 0.00 0.61 0.00 0.00 0.00 173.10 174.95 2r5q n GLY 49 N 5.01 1.02 0.15 0.20 0.00 0.14 -4.93 105.19 106.78 2r5q n GLY 49 Ca -0.06 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2r5q n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2r5q h ILE 50 N 0.00 1.44 -0.60 -0.61 6.09 -2.02 -3.23 117.51 118.58 2r5q h ILE 50 Ca 0.00 -2.34 0.00 0.00 -1.37 0.00 0.00 64.86 61.15 2r5q h ILE 50 Cb 0.00 2.27 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2r5q h ILE 50 CO 0.00 0.69 0.00 0.61 -3.07 0.00 0.00 178.15 176.38 2r5q n GLY 51 N 0.65 2.61 0.00 8.18 0.00 -1.26 -5.05 105.19 110.32 2r5q n GLY 51 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2r5q n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5q n GLY 52 N 1.00 0.12 3.96 -0.02 0.00 -1.22 -5.08 105.19 103.94 2r5q n GLY 52 Ca 0.25 -2.29 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 2r5q n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r5q s PHE 53 N -0.19 3.27 0.22 1.61 0.40 -1.26 -0.68 117.98 121.34 2r5q s PHE 53 Ca 0.00 0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 2r5q s PHE 53 Cb 0.00 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 2r5q s PHE 53 CO 0.00 -0.15 0.29 0.96 0.70 0.00 0.00 175.22 177.02 2r5q s ILE 54 N -2.40 0.00 -0.06 0.64 -4.36 -1.05 -4.95 121.20 109.01 2r5q s ILE 54 Ca 0.45 -1.72 -0.01 0.00 -0.26 0.00 0.00 60.65 59.11 2r5q s ILE 54 Cb -0.10 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 2r5q s ILE 54 CO 0.36 -0.01 -0.01 -1.59 0.24 0.00 0.00 174.94 173.93 2r5q s LYS 55 N -4.09 2.90 0.05 0.37 0.00 -1.26 -2.64 119.74 115.06 2r5q s LYS 55 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 55.97 55.80 2r5q s LYS 55 Cb 0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 37.83 35.09 2r5q s LYS 55 CO 0.10 0.68 -0.03 0.14 0.00 0.00 0.00 175.35 176.24 2r5q s VAL 56 N -0.93 0.25 -0.11 1.79 -7.23 0.35 -4.75 120.40 109.79 2r5q s VAL 56 Ca 0.15 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 2r5q s VAL 56 Cb -0.11 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2r5q s VAL 56 CO 0.04 -0.93 0.50 -0.13 -0.31 0.00 0.00 175.10 174.27 2r5q s ARG 57 N -3.65 4.34 -0.31 4.82 0.52 -0.28 -1.91 118.95 122.48 2r5q s ARG 57 Ca 0.05 0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.64 2r5q s ARG 57 Cb 0.06 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2r5q s ARG 57 CO -0.09 0.17 0.20 -1.14 0.02 0.00 0.00 175.30 174.47 2r5q s GLN 58 N 0.56 3.63 -0.07 3.54 0.74 0.17 -0.83 119.66 127.40 2r5q s GLN 58 Ca 0.27 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.15 2r5q s GLN 58 Cb -0.15 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 2r5q s GLN 58 CO 0.11 -0.34 -0.06 0.71 -0.55 0.00 0.00 175.29 175.17 2r5q s TYR 59 N 1.71 2.98 0.21 1.67 1.51 -0.66 -1.99 117.35 122.78 2r5q s TYR 59 Ca 0.06 0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.25 2r5q s TYR 59 Cb -0.17 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2r5q s TYR 59 CO 0.10 0.36 0.06 -0.51 -1.11 0.00 0.00 175.55 174.45 2r5q s ASP 60 N -0.86 4.98 -1.37 2.29 1.01 -1.26 -1.05 116.67 120.42 2r5q s ASP 60 Ca 0.13 -0.39 -0.06 0.00 0.71 0.00 0.00 52.55 52.94 2r5q s ASP 60 Cb -0.11 -1.11 0.03 0.00 1.01 0.00 0.00 42.92 42.73 2r5q s ASP 60 CO 0.02 0.04 0.93 1.67 0.21 0.00 0.00 175.17 178.03 2r5q n GLN 61 N -0.58 -5.97 -3.58 8.23 7.27 -1.11 -4.91 117.38 116.72 2r5q n GLN 61 Ca -0.08 0.69 -0.38 0.00 0.07 0.00 0.00 57.00 57.30 2r5q n GLN 61 Cb 0.57 -5.52 -0.06 0.00 2.41 0.00 0.00 30.24 27.63 2r5q n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2r5q s ILE 62 N -3.44 5.17 0.05 1.69 -1.09 -0.05 -4.74 121.20 118.78 2r5q s ILE 62 Ca 0.31 0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 59.20 2r5q s ILE 62 Cb -0.15 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 2r5q s ILE 62 CO 0.79 0.56 0.59 -0.63 -1.23 0.00 0.00 174.94 175.01 2r5q s ILE 63 N -0.84 4.78 -0.09 2.92 1.01 -1.26 -1.41 121.20 126.31 2r5q s ILE 63 Ca 0.21 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 62.06 2r5q s ILE 63 Cb -0.15 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.43 2r5q s ILE 63 CO 0.10 0.50 0.21 -0.63 0.00 0.00 0.00 174.94 175.12 2r5q s ILE 64 N -0.77 -0.03 -0.18 2.92 1.01 0.20 -4.43 121.20 119.92 2r5q s ILE 64 Ca 0.30 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 2r5q s ILE 64 Cb -0.19 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2r5q s ILE 64 CO 0.19 0.05 0.34 -1.61 0.00 0.00 0.00 174.94 173.90 2r5q s GLU 65 N 0.93 4.22 -0.06 2.79 2.02 -0.64 -0.42 118.70 127.54 2r5q s GLU 65 Ca -0.07 0.14 -0.02 0.00 0.02 0.00 0.00 54.97 55.04 2r5q s GLU 65 Cb -0.08 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.71 2r5q s GLU 65 CO -0.06 0.11 0.12 0.42 0.02 0.00 0.00 175.26 175.88 2r5q s ILE 66 N 0.85 -0.10 -1.25 -1.63 1.01 0.18 -1.95 121.20 118.30 2r5q s ILE 66 Ca 0.18 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 2r5q s ILE 66 Cb -0.14 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 2r5q s ILE 66 CO 0.06 0.10 0.66 0.00 0.00 0.00 0.00 174.94 175.76 2r5q n GLY 68 N -1.76 0.47 3.39 0.00 0.00 -1.26 -4.92 105.19 101.11 2r5q n GLY 68 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2r5q n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r5q s LYS 69 N -4.01 1.49 -0.03 1.61 1.02 0.73 -5.16 119.74 115.39 2r5q s LYS 69 Ca 0.00 -1.79 0.07 0.00 0.02 0.00 0.00 55.97 54.27 2r5q s LYS 69 Cb 0.00 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.54 2r5q s LYS 69 CO 0.00 -0.13 -0.24 0.15 -0.92 0.00 0.00 175.35 174.21 2r5q s LYS 70 N -3.87 2.17 -0.02 1.68 1.02 -1.26 0.48 119.74 119.94 2r5q s LYS 70 Ca 0.33 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.50 2r5q s LYS 70 Cb 0.07 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2r5q s LYS 70 CO 0.12 0.45 -0.17 0.00 -0.92 0.00 0.00 175.35 174.84 2r5q s ALA 71 N -0.37 1.42 -0.26 5.17 0.00 0.44 -4.93 121.76 123.23 2r5q s ALA 71 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2r5q s ALA 71 Cb -0.11 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 22.69 2r5q s ALA 71 CO 0.01 0.32 0.03 0.42 0.00 0.00 0.00 175.76 176.54 2r5q s ILE 72 N -0.24 1.07 0.00 0.00 1.01 -1.26 -0.63 121.20 121.15 2r5q s ILE 72 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2r5q s ILE 72 Cb -0.08 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.80 2r5q s ILE 72 CO 0.00 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.19 2r5q n GLY 73 N 4.81 2.47 3.73 6.18 0.00 -0.50 -4.77 105.19 117.10 2r5q n GLY 73 Ca -0.07 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2r5q n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r5q s THR 74 N -2.43 3.53 -0.08 2.61 2.01 -1.26 -0.87 115.64 119.15 2r5q s THR 74 Ca 0.00 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2r5q s THR 74 Cb 0.00 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2r5q s THR 74 CO 0.00 0.16 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 2r5q s VAL 75 N 0.38 0.83 -0.12 3.82 1.01 -0.21 -4.49 120.40 121.63 2r5q s VAL 75 Ca 0.57 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 2r5q s VAL 75 Cb -0.34 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2r5q s VAL 75 CO 0.35 0.31 0.20 -0.76 0.00 0.00 0.00 175.10 175.19 2r5q s LEU 76 N 1.28 4.36 -0.12 3.92 1.43 0.12 -1.65 118.68 128.03 2r5q s LEU 76 Ca -0.04 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2r5q s LEU 76 Cb -0.14 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2r5q s LEU 76 CO -0.03 0.33 -0.17 -0.69 0.23 0.00 0.00 176.35 176.03 2r5q s VAL 77 N -0.69 2.73 0.01 -1.59 1.01 -0.01 -0.01 120.40 121.85 2r5q s VAL 77 Ca 0.15 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2r5q s VAL 77 Cb -0.13 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.23 2r5q s VAL 77 CO 0.05 0.54 1.25 -0.83 0.00 0.00 0.00 175.10 176.10 2r5q s GLY 78 N 0.31 -0.13 -0.77 4.51 0.00 -0.26 -1.13 107.32 109.85 2r5q s GLY 78 Ca -0.13 0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 2r5q s GLY 78 CO 0.07 4.28 1.94 -1.55 0.00 0.00 0.00 173.10 177.84 2r5q n PRO 79 N -0.81 1.56 -3.91 2.90 -0.04 -1.26 -3.84 135.00 129.60 2r5q n PRO 79 Ca 0.01 -1.72 -0.36 0.00 -0.04 0.00 0.00 63.50 61.39 2r5q n PRO 79 Cb 0.59 -2.80 -0.08 0.00 -0.04 0.00 0.00 33.50 31.18 2r5q n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r5q s THR 80 N 4.72 5.21 0.47 0.52 -1.32 -1.26 -5.00 115.64 118.97 2r5q s THR 80 Ca 0.53 0.11 0.17 0.00 -1.21 0.00 0.00 61.69 61.28 2r5q s THR 80 Cb 0.13 -3.31 0.34 0.00 -1.51 0.00 0.00 72.50 68.15 2r5q s THR 80 CO 0.09 0.53 2.01 -0.65 -2.21 0.00 0.00 174.62 174.38 2r5q h PRO 81 N 5.89 0.26 -4.09 7.08 0.11 -1.99 -3.42 132.00 135.84 2r5q h PRO 81 Ca -0.46 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2r5q h PRO 81 Cb 1.19 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 2r5q h PRO 81 CO 0.66 0.17 -0.70 0.08 -0.21 0.00 0.00 178.00 178.00 2r5q s VAL 82 N -5.26 0.17 0.07 3.15 1.01 -1.26 -5.09 120.40 113.18 2r5q s VAL 82 Ca -0.07 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.46 2r5q s VAL 82 Cb 0.19 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 2r5q s VAL 82 CO 0.73 -0.65 0.79 0.20 0.00 0.00 0.00 175.10 176.18 2r5q s ASN 83 N -1.92 7.28 -0.08 3.32 0.01 -1.26 -4.75 114.94 117.55 2r5q s ASN 83 Ca -0.09 1.52 0.04 0.00 -0.71 0.00 0.00 52.86 53.63 2r5q s ASN 83 Cb -0.04 -2.49 -0.00 0.00 0.41 0.00 0.00 41.25 39.13 2r5q s ASN 83 CO -0.04 0.03 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.75 2r5q s ILE 84 N -0.21 1.78 -0.53 0.60 1.01 0.12 -0.62 121.20 123.36 2r5q s ILE 84 Ca 0.39 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 2r5q s ILE 84 Cb -0.21 -1.54 0.13 0.00 0.01 0.00 0.00 42.46 40.84 2r5q s ILE 84 CO 0.24 0.50 0.47 -0.63 0.00 0.00 0.00 174.94 175.52 2r5q s ILE 85 N 0.25 5.03 0.87 2.92 -1.09 -0.25 -1.13 121.20 127.80 2r5q s ILE 85 Ca -0.13 -1.55 -0.09 0.00 -2.23 0.00 0.00 60.65 56.66 2r5q s ILE 85 Cb -0.16 -4.24 0.18 0.00 -1.58 0.00 0.00 42.46 36.67 2r5q s ILE 85 CO 0.06 -0.85 1.19 -0.83 -1.23 0.00 0.00 174.94 173.28 2r5q s GLY 86 N 3.42 1.78 0.47 6.18 0.00 -1.00 -1.11 107.32 117.06 2r5q s GLY 86 Ca 0.03 -1.54 0.20 0.00 0.00 0.00 0.00 44.72 43.42 2r5q s GLY 86 CO 0.02 -0.82 1.94 3.21 0.00 0.00 0.00 173.10 177.45 2r5q h ARG 87 N -1.18 0.25 -0.62 2.90 3.08 -1.00 -0.63 114.38 117.18 2r5q h ARG 87 Ca -0.40 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.65 2r5q h ARG 87 Cb 1.24 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 2r5q h ARG 87 CO 0.36 0.16 0.41 -2.95 -1.07 0.00 0.00 179.97 176.88 2r5q h ASN 88 N 0.25 0.70 0.24 7.04 -1.07 -1.79 -1.30 115.58 119.65 2r5q h ASN 88 Ca 0.34 -0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.35 2r5q h ASN 88 Cb 0.97 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 37.04 2r5q h ASN 88 CO -0.08 0.50 -1.83 0.24 0.07 0.00 0.00 177.43 176.33 2r5q h MET 89 N 0.82 0.26 -0.71 4.14 2.86 -1.59 -3.34 114.93 117.37 2r5q h MET 89 Ca 0.23 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2r5q h MET 89 Cb -0.07 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2r5q h MET 89 CO -0.05 1.12 0.47 -0.07 1.06 0.00 0.00 176.91 179.44 2r5q h LEU 90 N 0.07 0.79 -0.70 1.22 3.38 -1.00 -2.06 115.31 117.02 2r5q h LEU 90 Ca -0.36 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 2r5q h LEU 90 Cb 2.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2r5q h LEU 90 CO 0.12 0.57 -0.28 0.71 0.09 0.00 0.00 178.44 179.65 2r5q h THR 91 N 0.93 1.28 0.00 0.22 1.35 -1.40 -1.66 112.91 113.63 2r5q h THR 91 Ca 0.26 -1.39 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 2r5q h THR 91 Cb -0.07 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2r5q h THR 91 CO -0.06 0.46 -0.04 1.56 -0.25 0.00 0.00 175.52 177.19 2r5q h GLN 92 N 0.61 0.00 -0.00 4.72 4.20 -1.50 0.13 115.11 123.27 2r5q h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2r5q h GLN 92 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2r5q h GLN 92 CO 0.06 0.04 -0.14 1.28 -0.67 0.00 0.00 178.83 179.40 2r5q n LEU 93 N -4.29 0.28 -1.06 1.46 4.77 -0.80 -4.93 117.00 112.43 2r5q n LEU 93 Ca -0.03 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2r5q n LEU 93 Cb 0.12 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2r5q n LEU 93 CO 0.33 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.04 2r5q n GLY 94 N 1.39 0.28 3.77 -0.72 0.00 0.47 -5.01 105.19 105.37 2r5q n GLY 94 Ca 0.10 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2r5q n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5q s THR 96 N -1.46 0.31 -0.10 0.00 -4.23 -1.26 -4.78 115.64 104.12 2r5q s THR 96 Ca 0.48 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2r5q s THR 96 Cb -0.22 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 2r5q s THR 96 CO 0.28 -0.85 0.19 -0.76 -0.54 0.00 0.00 174.62 172.94 2r5q s LEU 97 N -2.60 4.40 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.33 2r5q s LEU 97 Ca 0.03 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2r5q s LEU 97 Cb 0.03 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2r5q s LEU 97 CO -0.07 0.39 -0.00 0.20 0.23 0.00 0.00 176.35 177.10 2r5q s ASN 98 N -1.03 0.42 0.00 2.29 0.01 -1.26 -5.29 114.94 110.08 2r5q s ASN 98 Ca 0.16 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 2r5q s ASN 98 Cb -0.13 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.31 2r5q s ASN 98 CO 0.06 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.78