#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5p s GLN 2 N 0.00 3.59 -0.16 0.54 0.74 -1.26 -5.09 119.66 118.02 2r5p s GLN 2 Ca 0.00 -0.54 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 2r5p s GLN 2 Cb 0.00 -3.00 -0.00 0.00 1.10 0.00 0.00 33.01 31.11 2r5p s GLN 2 CO 0.00 0.07 -0.14 0.42 -0.55 0.00 0.00 175.29 175.09 2r5p s ILE 3 N 0.83 2.75 0.74 -2.34 1.01 -1.26 -5.11 121.20 117.83 2r5p s ILE 3 Ca -0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 2r5p s ILE 3 Cb -0.14 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.19 2r5p s ILE 3 CO 0.02 0.51 1.12 0.42 0.00 0.00 0.00 174.94 177.01 2r5p s THR 4 N 0.85 3.03 -0.18 2.92 -4.23 -1.26 -5.01 115.64 111.76 2r5p s THR 4 Ca -0.04 0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.97 2r5p s THR 4 Cb -0.15 -3.31 0.45 0.00 1.34 0.00 0.00 72.50 70.83 2r5p s THR 4 CO -0.00 -0.44 1.34 0.18 -0.54 0.00 0.00 174.62 175.16 2r5p n LEU 5 N -3.13 3.41 -0.15 4.79 4.77 -1.26 -4.60 117.00 120.83 2r5p n LEU 5 Ca 0.07 -3.16 -0.03 0.00 -0.03 0.00 0.00 56.01 52.86 2r5p n LEU 5 Cb 0.58 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 41.33 2r5p n LEU 5 CO 0.57 0.77 1.00 -0.50 -1.33 0.00 0.00 177.39 177.91 2r5p h TRP 6 N 1.13 0.91 -2.21 -1.77 4.06 -2.06 -3.43 115.95 112.58 2r5p h TRP 6 Ca 0.03 -0.08 -0.55 0.00 2.06 0.00 0.00 58.89 60.35 2r5p h TRP 6 Cb 1.32 -0.27 -0.13 0.00 -1.00 0.00 0.00 29.16 29.08 2r5p h TRP 6 CO 0.42 0.74 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.85 2r5p s LYS 7 N -5.28 1.82 0.22 0.49 -2.85 -1.26 -5.09 119.74 107.78 2r5p s LYS 7 Ca -0.10 -2.03 -0.32 0.00 -1.00 0.00 0.00 55.97 52.52 2r5p s LYS 7 Cb 0.16 -1.23 -0.13 0.00 -2.06 0.00 0.00 37.83 34.56 2r5p s LYS 7 CO 0.80 -0.14 1.49 0.54 0.10 0.00 0.00 175.35 178.15 2r5p n ARG 8 N -0.84 2.16 -1.71 1.78 1.74 -1.26 -4.84 116.66 113.69 2r5p n ARG 8 Ca -0.04 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2r5p n ARG 8 Cb 0.67 -2.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.60 2r5p n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r5p n PRO 9 N 2.57 2.52 -3.21 5.56 -0.04 -1.26 -4.94 135.00 136.20 2r5p n PRO 9 Ca 0.13 -2.50 -0.35 0.00 -0.04 0.00 0.00 63.50 60.75 2r5p n PRO 9 Cb 0.31 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 2r5p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r5p s LEU 10 N 2.61 4.26 0.11 1.53 1.43 -1.26 -1.30 118.68 126.06 2r5p s LEU 10 Ca 0.51 1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 2r5p s LEU 10 Cb 0.12 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2r5p s LEU 10 CO -0.01 -0.02 0.17 0.68 0.23 0.00 0.00 176.35 177.40 2r5p s VAL 11 N -1.65 0.12 0.06 -1.59 -7.23 0.33 -4.96 120.40 105.50 2r5p s VAL 11 Ca 0.45 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 2r5p s VAL 11 Cb -0.14 -1.65 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 2r5p s VAL 11 CO 0.20 -0.55 0.67 -0.44 -0.31 0.00 0.00 175.10 174.67 2r5p s SER 12 N -2.94 7.15 0.10 4.85 0.01 -1.26 -1.20 113.70 120.42 2r5p s SER 12 Ca 0.13 1.37 0.05 0.00 1.31 0.00 0.00 55.95 58.80 2r5p s SER 12 Cb 0.05 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2r5p s SER 12 CO -0.05 0.14 -0.12 0.27 0.41 0.00 0.00 173.24 173.89 2r5p s ILE 13 N -0.59 1.10 -0.18 1.44 -4.36 0.15 -4.42 121.20 114.34 2r5p s ILE 13 Ca 0.34 -1.59 -0.03 0.00 -0.26 0.00 0.00 60.65 59.11 2r5p s ILE 13 Cb -0.20 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 2r5p s ILE 13 CO 0.21 -0.44 -0.07 -0.75 0.24 0.00 0.00 174.94 174.13 2r5p s LYS 14 N -2.51 3.44 -0.25 0.37 2.20 -0.27 -0.29 119.74 122.43 2r5p s LYS 14 Ca 0.05 -0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 54.78 2r5p s LYS 14 Cb -0.05 -2.88 0.07 0.00 -1.51 0.00 0.00 37.83 33.46 2r5p s LYS 14 CO 0.02 0.01 0.71 0.54 -0.36 0.00 0.00 175.35 176.26 2r5p s VAL 15 N 0.93 0.00 -1.48 4.02 0.11 0.38 -0.76 120.40 123.60 2r5p s VAL 15 Ca -0.01 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 2r5p s VAL 15 Cb -0.15 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2r5p s VAL 15 CO 0.00 -0.00 0.65 0.61 -3.33 0.00 0.00 175.10 173.03 2r5p n GLY 16 N 2.57 -0.52 3.81 6.54 0.00 -1.26 -0.70 105.19 115.63 2r5p n GLY 16 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2r5p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5p n GLY 17 N -1.50 0.80 3.78 -0.02 0.00 -1.26 -4.95 105.19 102.04 2r5p n GLY 17 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2r5p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r5p s GLN 18 N -0.33 2.77 -0.12 1.61 -0.21 0.12 -5.12 119.66 118.39 2r5p s GLN 18 Ca 0.00 -1.09 -0.05 0.00 0.02 0.00 0.00 55.36 54.24 2r5p s GLN 18 Cb 0.00 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2r5p s GLN 18 CO 0.00 0.41 0.06 0.42 -2.12 0.00 0.00 175.29 174.06 2r5p s ILE 19 N -2.08 4.76 0.16 1.08 1.01 -1.26 -0.47 121.20 124.40 2r5p s ILE 19 Ca 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 2r5p s ILE 19 Cb -0.08 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 2r5p s ILE 19 CO 0.23 0.57 0.24 -0.54 0.00 0.00 0.00 174.94 175.44 2r5p s LYS 20 N -0.53 1.12 -0.17 2.79 1.02 0.60 -4.96 119.74 119.61 2r5p s LYS 20 Ca 0.10 -1.23 -0.09 0.00 0.02 0.00 0.00 55.97 54.78 2r5p s LYS 20 Cb -0.12 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.50 2r5p s LYS 20 CO 0.02 -0.40 0.13 -2.00 -0.92 0.00 0.00 175.35 172.18 2r5p s GLU 21 N -3.99 3.95 0.09 1.68 2.12 -1.26 0.33 118.70 121.62 2r5p s GLU 21 Ca 0.19 -0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.27 2r5p s GLU 21 Cb 0.04 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 2r5p s GLU 21 CO 0.01 0.44 0.08 0.00 -0.54 0.00 0.00 175.26 175.25 2r5p s ALA 22 N -0.05 0.33 -0.18 6.30 0.00 -0.34 -4.40 121.76 123.42 2r5p s ALA 22 Ca 0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 2r5p s ALA 22 Cb -0.11 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2r5p s ALA 22 CO -0.00 -0.46 0.02 -1.17 0.00 0.00 0.00 175.76 174.15 2r5p s LEU 23 N -2.94 3.55 -0.49 0.00 2.96 0.40 -0.51 118.68 121.65 2r5p s LEU 23 Ca 0.11 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 2r5p s LEU 23 Cb 0.07 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2r5p s LEU 23 CO -0.07 0.15 1.29 -0.76 -1.32 0.00 0.00 176.35 175.64 2r5p s LEU 24 N 0.52 3.54 -0.36 -0.68 1.43 -0.42 -0.66 118.68 122.06 2r5p s LEU 24 Ca 0.01 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2r5p s LEU 24 Cb -0.13 -3.39 0.10 0.00 0.03 0.00 0.00 46.19 42.80 2r5p s LEU 24 CO 0.02 -1.44 0.08 -0.62 0.23 0.00 0.00 176.35 174.61 2r5p s ASP 25 N 3.40 4.65 0.46 2.29 -1.08 -0.40 -4.79 116.67 121.20 2r5p s ASP 25 Ca 0.52 -2.20 0.21 0.00 -0.52 0.00 0.00 52.55 50.56 2r5p s ASP 25 Cb -0.10 -1.56 1.14 0.00 -1.46 0.00 0.00 42.92 40.94 2r5p s ASP 25 CO 0.30 -0.37 1.97 0.71 0.52 0.00 0.00 175.17 178.30 2r5p h THR 26 N 6.48 0.84 -0.00 1.71 1.35 -1.93 -2.15 112.91 119.20 2r5p h THR 26 Ca -0.05 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2r5p h THR 26 Cb 1.01 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2r5p h THR 26 CO 0.53 0.20 -0.02 0.61 -0.25 0.00 0.00 175.52 176.59 2r5p n GLY 27 N -0.60 -1.03 3.62 5.82 0.00 -1.26 -4.77 105.19 106.98 2r5p n GLY 27 Ca -0.02 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2r5p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5p s ALA 28 N -2.30 3.57 0.15 4.61 0.00 -0.81 -4.97 121.76 122.01 2r5p s ALA 28 Ca 0.36 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 2r5p s ALA 28 Cb 0.21 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 2r5p s ALA 28 CO 0.42 -0.41 1.47 -0.44 0.00 0.00 0.00 175.76 176.80 2r5p h ASP 29 N 7.95 0.90 -1.54 0.00 3.32 -1.86 -0.16 116.42 125.02 2r5p h ASP 29 Ca -0.36 -0.44 -0.53 0.00 0.02 0.00 0.00 57.03 55.72 2r5p h ASP 29 Cb 1.18 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2r5p h ASP 29 CO 0.61 1.22 -0.44 -1.81 -1.72 0.00 0.00 179.24 177.10 2r5p s ASP 30 N -6.89 4.71 -0.22 6.45 1.01 -1.26 -3.12 116.67 117.35 2r5p s ASP 30 Ca -0.10 -0.93 -0.06 0.00 0.71 0.00 0.00 52.55 52.17 2r5p s ASP 30 Cb 0.11 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.51 2r5p s ASP 30 CO 0.87 -0.61 0.01 -0.89 0.21 0.00 0.00 175.17 174.77 2r5p s THR 31 N -2.55 3.96 -0.05 -1.27 2.01 -1.26 -3.04 115.64 113.45 2r5p s THR 31 Ca 0.44 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2r5p s THR 31 Cb 0.01 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.72 2r5p s THR 31 CO 0.25 0.40 -0.09 0.54 -0.69 0.00 0.00 174.62 175.03 2r5p s VAL 32 N 1.28 0.84 0.10 3.82 0.11 -0.47 -0.32 120.40 125.75 2r5p s VAL 32 Ca 0.04 -0.32 0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2r5p s VAL 32 Cb -0.15 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2r5p s VAL 32 CO 0.01 0.28 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.20 2r5p s ILE 33 N 0.64 1.96 1.14 7.04 1.01 0.09 -0.53 121.20 132.55 2r5p s ILE 33 Ca -0.11 -1.59 -0.12 0.00 0.00 0.00 0.00 60.65 58.83 2r5p s ILE 33 Cb -0.14 -1.75 0.27 0.00 0.01 0.00 0.00 42.46 40.86 2r5p s ILE 33 CO 0.02 0.06 1.04 -1.83 0.00 0.00 0.00 174.94 174.23 2r5p s GLU 34 N -1.85 -0.71 -0.34 2.79 -1.05 -1.26 -2.08 118.70 114.21 2r5p s GLU 34 Ca 0.10 0.94 -0.44 0.00 -0.15 0.00 0.00 54.97 55.42 2r5p s GLU 34 Cb -0.10 -1.57 -0.20 0.00 -0.44 0.00 0.00 34.13 31.82 2r5p s GLU 34 CO 0.05 -3.61 1.46 0.39 0.95 0.00 0.00 175.26 174.50 2r5p n GLU 35 N -4.85 0.10 -3.67 -4.83 -0.58 -1.25 -4.63 120.64 100.93 2r5p n GLU 35 Ca 0.04 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 2r5p n GLU 35 Cb 0.54 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 2r5p n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2r5p s ILE 36 N 2.18 0.03 -0.33 -3.67 2.07 -1.26 -5.07 121.20 115.16 2r5p s ILE 36 Ca 1.00 -0.24 -0.25 0.00 -1.41 0.00 0.00 60.65 59.75 2r5p s ILE 36 Cb -1.40 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 40.44 2r5p s ILE 36 CO 0.74 -0.13 0.90 0.00 -1.91 0.00 0.00 174.94 174.53 2r5p s ALA 37 N -1.06 3.49 -0.03 1.50 0.00 -1.26 -5.03 121.76 119.38 2r5p s ALA 37 Ca -0.11 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2r5p s ALA 37 Cb -0.03 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2r5p s ALA 37 CO 0.06 -1.38 -0.23 -0.51 0.00 0.00 0.00 175.76 173.70 2r5p s LEU 38 N 3.26 2.04 0.61 0.00 1.43 -1.26 -4.83 118.68 119.93 2r5p s LEU 38 Ca 0.37 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2r5p s LEU 38 Cb -0.13 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2r5p s LEU 38 CO 0.15 0.27 1.03 -2.16 0.23 0.00 0.00 176.35 175.86 2r5p s PRO 39 N -0.43 3.55 0.00 1.29 0.04 -1.26 -4.95 135.00 133.23 2r5p s PRO 39 Ca 0.06 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2r5p s PRO 39 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2r5p s PRO 39 CO 0.00 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2r5p n GLY 40 N -2.26 0.21 3.90 0.56 0.00 -1.26 -4.95 105.19 101.38 2r5p n GLY 40 Ca 0.07 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 2r5p n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r5p s ARG 41 N -1.33 3.56 0.13 1.61 3.52 -1.26 -5.10 118.95 120.09 2r5p s ARG 41 Ca 0.00 0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 2r5p s ARG 41 Cb 0.00 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 2r5p s ARG 41 CO 0.00 -0.26 -0.04 1.67 -0.81 0.00 0.00 175.30 175.86 2r5p s TRP 42 N -2.80 1.06 0.04 5.12 1.48 -1.26 -4.63 118.94 117.96 2r5p s TRP 42 Ca 0.49 -0.94 0.09 0.00 -1.06 0.00 0.00 56.10 54.67 2r5p s TRP 42 Cb -0.10 -0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 31.58 2r5p s TRP 42 CO 0.46 -0.15 -0.25 0.15 -4.06 0.00 0.00 176.95 173.10 2r5p s LYS 43 N -3.86 1.68 0.42 3.25 1.02 -0.69 -4.89 119.74 116.69 2r5p s LYS 43 Ca 0.17 -1.05 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 2r5p s LYS 43 Cb 0.05 -1.84 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 2r5p s LYS 43 CO -0.01 0.47 0.99 -1.25 -0.92 0.00 0.00 175.35 174.64 2r5p s PRO 44 N -1.20 4.15 0.01 -1.68 0.04 -1.26 0.71 135.00 135.77 2r5p s PRO 44 Ca 0.10 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2r5p s PRO 44 Cb -0.10 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 32.17 2r5p s PRO 44 CO 0.02 -0.11 0.44 0.21 0.04 0.00 0.00 177.00 177.59 2r5p s LYS 45 N -2.91 0.88 -0.15 4.56 2.20 -0.17 -4.85 119.74 119.30 2r5p s LYS 45 Ca 0.61 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 2r5p s LYS 45 Cb -0.15 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2r5p s LYS 45 CO 0.19 -0.28 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.17 2r5p s MET 46 N -1.94 3.48 -0.01 4.03 -1.94 -1.26 -0.25 119.30 121.42 2r5p s MET 46 Ca -0.09 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.34 2r5p s MET 46 Cb -0.02 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 2r5p s MET 46 CO 0.02 0.16 -0.20 0.96 -0.01 0.00 0.00 175.02 175.94 2r5p s ILE 47 N 0.54 1.61 -0.17 2.53 -4.36 -0.85 -4.96 121.20 115.54 2r5p s ILE 47 Ca -0.06 -0.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.33 2r5p s ILE 47 Cb -0.15 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.17 2r5p s ILE 47 CO 0.03 0.41 0.12 -0.83 0.24 0.00 0.00 174.94 174.91 2r5p s GLY 48 N -0.60 2.05 0.10 6.27 0.00 -1.26 -1.54 107.32 112.35 2r5p s GLY 48 Ca 0.08 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2r5p s GLY 48 CO -0.00 -0.05 0.05 0.61 0.00 0.00 0.00 173.10 173.71 2r5p n GLY 49 N 3.01 3.30 0.25 0.20 0.00 0.14 -4.95 105.19 107.13 2r5p n GLY 49 Ca -0.17 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.76 2r5p n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2r5p h ILE 50 N 0.67 0.58 -0.01 -0.61 3.07 -2.04 -2.80 117.51 116.37 2r5p h ILE 50 Ca -0.07 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.58 2r5p h ILE 50 Cb 0.23 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 2r5p h ILE 50 CO 0.11 0.16 -0.34 0.61 -1.05 0.00 0.00 178.15 177.64 2r5p n GLY 51 N -0.39 -0.17 0.00 0.16 0.00 -1.26 -5.07 105.19 98.47 2r5p n GLY 51 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2r5p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5p n GLY 52 N 1.37 0.71 3.91 -0.02 0.00 -1.06 -5.10 105.19 105.00 2r5p n GLY 52 Ca 0.11 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2r5p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r5p s PHE 53 N -1.29 3.51 0.15 1.61 0.40 -1.26 0.25 117.98 121.35 2r5p s PHE 53 Ca 0.00 0.42 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 2r5p s PHE 53 Cb 0.00 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 2r5p s PHE 53 CO 0.00 0.53 -0.17 0.96 0.70 0.00 0.00 175.22 177.24 2r5p s ILE 54 N -1.54 1.65 -0.04 0.64 -4.36 -0.59 -4.96 121.20 112.00 2r5p s ILE 54 Ca 0.36 -1.88 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 2r5p s ILE 54 Cb -0.13 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.77 2r5p s ILE 54 CO 0.25 -0.37 0.37 -0.75 0.24 0.00 0.00 174.94 174.68 2r5p s LYS 55 N -2.83 3.95 0.10 0.37 2.20 -1.26 -2.00 119.74 120.27 2r5p s LYS 55 Ca 0.14 0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 56.06 2r5p s LYS 55 Cb -0.05 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2r5p s LYS 55 CO 0.05 0.59 0.02 0.14 -0.36 0.00 0.00 175.35 175.80 2r5p s VAL 56 N -0.71 0.15 -0.22 4.02 -7.23 0.66 -4.51 120.40 112.56 2r5p s VAL 56 Ca 0.22 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 2r5p s VAL 56 Cb -0.16 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2r5p s VAL 56 CO 0.11 -0.68 0.14 -0.13 -0.31 0.00 0.00 175.10 174.23 2r5p s ARG 57 N -4.00 4.10 -0.32 4.82 0.52 0.93 -1.00 118.95 124.00 2r5p s ARG 57 Ca 0.17 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 2r5p s ARG 57 Cb 0.08 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 2r5p s ARG 57 CO -0.03 0.17 0.37 -1.14 0.02 0.00 0.00 175.30 174.69 2r5p s GLN 58 N 0.73 3.68 -0.04 3.54 0.74 0.22 -0.20 119.66 128.34 2r5p s GLN 58 Ca 0.07 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.19 2r5p s GLN 58 Cb -0.12 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2r5p s GLN 58 CO 0.02 -0.46 -0.01 0.71 -0.55 0.00 0.00 175.29 174.99 2r5p s TYR 59 N 2.05 3.08 0.32 1.67 1.51 -0.31 -1.70 117.35 123.97 2r5p s TYR 59 Ca 0.13 0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.38 2r5p s TYR 59 Cb -0.16 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2r5p s TYR 59 CO 0.11 0.44 0.06 -0.51 -1.11 0.00 0.00 175.55 174.54 2r5p s ASP 60 N -1.20 4.46 -1.35 2.29 1.01 -1.26 -0.75 116.67 119.87 2r5p s ASP 60 Ca 0.16 -0.82 -0.04 0.00 0.71 0.00 0.00 52.55 52.56 2r5p s ASP 60 Cb -0.11 -0.68 0.02 0.00 1.01 0.00 0.00 42.92 43.16 2r5p s ASP 60 CO 0.06 -0.20 0.88 0.00 0.21 0.00 0.00 175.17 176.12 2r5p n GLN 61 N -1.01 -5.77 -3.97 8.23 1.13 -1.20 -4.92 117.38 109.86 2r5p n GLN 61 Ca -0.04 0.68 -0.35 0.00 -1.94 0.00 0.00 57.00 55.35 2r5p n GLN 61 Cb 0.61 -5.47 -0.09 0.00 0.11 0.00 0.00 30.24 25.41 2r5p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2r5p s ILE 62 N -3.48 5.00 -0.04 5.09 -1.09 -0.08 -4.80 121.20 121.79 2r5p s ILE 62 Ca 0.23 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.56 2r5p s ILE 62 Cb -0.11 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 2r5p s ILE 62 CO 0.79 0.51 0.31 -0.63 -1.23 0.00 0.00 174.94 174.69 2r5p s ILE 63 N -0.08 5.20 0.05 2.92 1.01 -1.26 -1.16 121.20 127.87 2r5p s ILE 63 Ca 0.08 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.37 2r5p s ILE 63 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2r5p s ILE 63 CO 0.01 0.59 -0.09 0.27 0.00 0.00 0.00 174.94 175.73 2r5p s ILE 64 N -1.06 0.61 -0.04 2.92 -4.36 -0.00 -4.43 121.20 114.84 2r5p s ILE 64 Ca 0.21 -1.10 0.06 0.00 -0.26 0.00 0.00 60.65 59.55 2r5p s ILE 64 Cb -0.15 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 42.89 2r5p s ILE 64 CO 0.10 -0.36 -0.21 -0.70 0.24 0.00 0.00 174.94 174.01 2r5p s GLU 65 N -1.59 2.00 -0.14 0.37 2.12 0.06 -1.50 118.70 120.02 2r5p s GLU 65 Ca -0.09 -0.75 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 2r5p s GLU 65 Cb -0.10 -1.78 0.07 0.00 0.26 0.00 0.00 34.13 32.57 2r5p s GLU 65 CO 0.01 0.36 0.20 0.42 -0.54 0.00 0.00 175.26 175.71 2r5p s ILE 66 N -0.21 -0.31 -1.35 -3.70 1.01 0.44 -1.11 121.20 115.96 2r5p s ILE 66 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2r5p s ILE 66 Cb -0.11 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.91 2r5p s ILE 66 CO 0.02 0.00 0.87 0.00 0.00 0.00 0.00 174.94 175.83 2r5p n GLY 68 N -1.58 2.72 3.79 0.00 0.00 -1.26 -5.00 105.19 103.86 2r5p n GLY 68 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2r5p n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r5p s LYS 69 N -0.00 3.16 0.17 1.61 1.02 -0.66 -5.11 119.74 119.92 2r5p s LYS 69 Ca 0.00 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.69 2r5p s LYS 69 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2r5p s LYS 69 CO 0.00 0.69 -0.08 0.15 -0.92 0.00 0.00 175.35 175.19 2r5p s LYS 70 N -1.43 2.13 -0.02 1.68 1.02 -1.26 -0.42 119.74 121.44 2r5p s LYS 70 Ca 0.20 -1.21 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 2r5p s LYS 70 Cb -0.12 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2r5p s LYS 70 CO 0.10 0.45 0.35 0.00 -0.92 0.00 0.00 175.35 175.32 2r5p s ALA 71 N -1.66 -0.89 0.03 5.17 0.00 -0.56 -4.77 121.76 119.08 2r5p s ALA 71 Ca 0.25 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.72 2r5p s ALA 71 Cb -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2r5p s ALA 71 CO 0.16 -0.27 -0.19 -1.50 0.00 0.00 0.00 175.76 173.95 2r5p s ILE 72 N -1.29 1.53 -2.41 0.00 2.07 -1.26 -0.82 121.20 119.01 2r5p s ILE 72 Ca -0.13 -1.10 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 2r5p s ILE 72 Cb -0.05 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.21 2r5p s ILE 72 CO 0.05 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.89 2r5p n GLY 73 N 1.98 -1.30 3.74 1.50 0.00 -0.31 -4.90 105.19 105.90 2r5p n GLY 73 Ca -0.17 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2r5p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r5p s THR 74 N -3.00 3.77 -0.08 2.61 2.01 -1.26 -0.90 115.64 118.79 2r5p s THR 74 Ca 0.00 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.64 2r5p s THR 74 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.49 2r5p s THR 74 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.41 2r5p s VAL 75 N -0.58 1.35 -0.16 3.82 1.01 0.07 -4.52 120.40 121.40 2r5p s VAL 75 Ca 0.47 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2r5p s VAL 75 Cb -0.30 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2r5p s VAL 75 CO 0.36 0.41 0.15 -0.76 0.00 0.00 0.00 175.10 175.26 2r5p s LEU 76 N 0.72 4.30 -0.16 3.92 1.43 0.56 -1.16 118.68 128.28 2r5p s LEU 76 Ca -0.13 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2r5p s LEU 76 Cb -0.16 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2r5p s LEU 76 CO 0.03 0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 176.04 2r5p s VAL 77 N -0.27 2.60 -0.01 -1.59 1.01 0.72 -0.73 120.40 122.13 2r5p s VAL 77 Ca 0.12 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2r5p s VAL 77 Cb -0.12 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.20 2r5p s VAL 77 CO 0.01 0.51 0.57 0.61 0.00 0.00 0.00 175.10 176.81 2r5p n GLY 78 N 4.18 0.45 3.15 4.51 0.00 -0.88 -0.05 105.19 116.54 2r5p n GLY 78 Ca -0.19 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 2r5p n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r5p n PRO 79 N -0.41 2.06 -3.98 1.61 -0.04 -1.26 -3.85 135.00 129.13 2r5p n PRO 79 Ca 0.02 -2.32 -0.35 0.00 -0.04 0.00 0.00 63.50 60.81 2r5p n PRO 79 Cb 0.26 -3.22 -0.08 0.00 -0.04 0.00 0.00 33.50 30.41 2r5p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r5p s THR 80 N 5.51 5.00 0.58 0.52 -1.32 -1.26 -4.99 115.64 119.69 2r5p s THR 80 Ca 0.56 0.03 0.27 0.00 -1.21 0.00 0.00 61.69 61.35 2r5p s THR 80 Cb 0.10 -3.22 0.34 0.00 -1.51 0.00 0.00 72.50 68.22 2r5p s THR 80 CO 0.06 0.52 2.20 1.55 -2.21 0.00 0.00 174.62 176.74 2r5p h PRO 81 N 6.04 0.00 -3.81 7.08 0.13 -1.99 -3.43 132.00 136.02 2r5p h PRO 81 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2r5p h PRO 81 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2r5p h PRO 81 CO 0.66 0.00 -0.60 0.08 -0.23 0.00 0.00 178.00 177.91 2r5p s VAL 82 N -4.71 0.11 0.09 1.56 1.01 -1.26 -5.11 120.40 112.09 2r5p s VAL 82 Ca -0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2r5p s VAL 82 Cb 0.16 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2r5p s VAL 82 CO 0.57 -0.50 0.97 0.20 0.00 0.00 0.00 175.10 176.34 2r5p s ASN 83 N -1.60 7.47 -0.12 3.32 0.01 -1.26 -4.78 114.94 117.98 2r5p s ASN 83 Ca -0.13 1.77 0.01 0.00 -0.71 0.00 0.00 52.86 53.81 2r5p s ASN 83 Cb -0.07 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2r5p s ASN 83 CO -0.01 -0.10 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.69 2r5p s ILE 84 N 0.19 1.59 -0.41 0.60 1.01 0.31 -0.46 121.20 124.03 2r5p s ILE 84 Ca 0.48 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2r5p s ILE 84 Cb -0.23 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2r5p s ILE 84 CO 0.30 0.46 0.38 -0.63 0.00 0.00 0.00 174.94 175.45 2r5p s ILE 85 N 1.10 5.15 0.51 2.92 -1.09 0.17 -1.37 121.20 128.60 2r5p s ILE 85 Ca -0.03 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 57.96 2r5p s ILE 85 Cb -0.14 -3.98 0.10 0.00 -1.58 0.00 0.00 42.46 36.85 2r5p s ILE 85 CO -0.04 -0.36 0.70 0.61 -1.23 0.00 0.00 174.94 174.62 2r5p n GLY 86 N 5.12 0.69 0.33 6.18 0.00 -1.17 -1.28 105.19 115.06 2r5p n GLY 86 Ca -0.09 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.00 2r5p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r5p h ARG 87 N 0.00 0.55 -0.04 1.61 3.08 -1.10 0.84 114.38 119.32 2r5p h ARG 87 Ca -0.23 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2r5p h ARG 87 Cb 0.86 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2r5p h ARG 87 CO 0.25 0.36 0.06 -2.95 -1.07 0.00 0.00 179.97 176.63 2r5p h ASN 88 N 0.56 0.00 0.00 7.04 -1.07 -1.81 -1.54 115.58 118.77 2r5p h ASN 88 Ca 0.23 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.31 2r5p h ASN 88 Cb 0.22 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.41 2r5p h ASN 88 CO -0.06 0.00 -2.12 0.23 0.07 0.00 0.00 177.43 175.54 2r5p n MET 89 N -3.59 0.82 -0.35 4.14 2.81 -0.71 -4.45 117.12 115.79 2r5p n MET 89 Ca -0.02 0.07 0.02 0.00 -1.81 0.00 0.00 57.70 55.96 2r5p n MET 89 Cb 0.15 -1.40 0.18 0.00 -0.71 0.00 0.00 33.22 31.44 2r5p n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2r5p h LEU 90 N 0.00 1.02 -0.64 4.03 3.38 -0.46 -1.72 115.31 120.92 2r5p h LEU 90 Ca -0.44 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2r5p h LEU 90 Cb 1.79 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2r5p h LEU 90 CO -0.04 0.68 0.42 0.71 0.09 0.00 0.00 178.44 180.30 2r5p h THR 91 N 1.17 1.15 0.00 0.22 1.35 -1.53 -1.70 112.91 113.57 2r5p h THR 91 Ca 0.40 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.95 2r5p h THR 91 Cb 0.09 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 66.73 2r5p h THR 91 CO -0.14 0.16 -0.09 1.56 -0.25 0.00 0.00 175.52 176.76 2r5p h GLN 92 N 0.86 0.00 -0.01 4.72 1.08 -1.54 -0.08 115.11 120.14 2r5p h GLN 92 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2r5p h GLN 92 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2r5p h GLN 92 CO -0.06 0.09 -0.15 1.28 -0.95 0.00 0.00 178.83 179.04 2r5p n LEU 93 N -3.71 1.11 -0.93 1.46 4.77 -0.89 -4.88 117.00 113.93 2r5p n LEU 93 Ca -0.02 -0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 2r5p n LEU 93 Cb 0.19 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2r5p n LEU 93 CO 0.29 0.20 -0.11 0.61 -1.33 0.00 0.00 177.39 177.05 2r5p n GLY 94 N 1.27 0.16 3.70 -0.72 0.00 -0.04 -4.99 105.19 104.57 2r5p n GLY 94 Ca 0.15 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2r5p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5p s THR 96 N 1.50 1.33 -0.20 0.00 -4.23 -1.26 -4.64 115.64 108.14 2r5p s THR 96 Ca 0.46 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2r5p s THR 96 Cb -0.19 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2r5p s THR 96 CO 0.21 -0.12 0.05 -0.22 -0.54 0.00 0.00 174.62 174.00 2r5p s LEU 97 N -3.46 3.65 -0.01 4.79 2.96 -1.26 -5.09 118.68 120.25 2r5p s LEU 97 Ca 0.34 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2r5p s LEU 97 Cb 0.07 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2r5p s LEU 97 CO 0.14 0.11 -0.10 0.20 -1.32 0.00 0.00 176.35 175.38 2r5p s ASN 98 N 0.73 1.16 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.09 2r5p s ASN 98 Ca 0.03 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 2r5p s ASN 98 Cb -0.13 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 2r5p s ASN 98 CO 0.02 0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.89