#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 -5.10 119.66 118.01 2r5p s GLN 2 Ca 0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.87 2r5p s GLN 2 Cb 0.00 -2.99 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 2r5p s GLN 2 CO 0.00 0.07 -0.15 0.42 -0.55 0.00 0.00 175.29 175.08 2r5p s ILE 3 N 0.82 2.67 0.74 -2.34 1.01 -1.26 -5.11 121.20 117.72 2r5p s ILE 3 Ca -0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 2r5p s ILE 3 Cb -0.14 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.23 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 0.86 3.04 -0.18 2.92 -4.23 -1.26 -5.01 115.64 111.78 2r5p s THR 4 Ca -0.04 0.34 0.16 0.00 -1.18 0.00 0.00 61.69 60.97 2r5p s THR 4 Cb -0.15 -3.33 0.44 0.00 1.34 0.00 0.00 72.50 70.80 2r5p s THR 4 CO -0.01 -0.44 1.33 0.18 -0.54 0.00 0.00 174.62 175.14 2r5p n LEU 5 N -3.10 3.36 -0.17 4.79 4.77 -1.26 -4.59 117.00 120.79 2r5p n LEU 5 Ca 0.07 -3.18 -0.03 0.00 -0.03 0.00 0.00 56.01 52.85 2r5p n LEU 5 Cb 0.58 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 41.34 2r5p n LEU 5 CO 0.57 0.79 1.04 -0.50 -1.33 0.00 0.00 177.39 177.97 2r5p h TRP 6 N 1.07 0.93 -2.18 -1.77 4.06 -2.06 -3.43 115.95 112.57 2r5p h TRP 6 Ca 0.03 -0.06 -0.56 0.00 2.06 0.00 0.00 58.89 60.36 2r5p h TRP 6 Cb 1.31 -0.28 -0.13 0.00 -1.00 0.00 0.00 29.16 29.05 2r5p h TRP 6 CO 0.41 0.73 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.83 2r5p s LYS 7 N -5.39 1.83 0.21 0.49 -2.85 -1.26 -5.10 119.74 107.67 2r5p s LYS 7 Ca -0.10 -2.04 -0.32 0.00 -1.00 0.00 0.00 55.97 52.50 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 -0.15 1.50 0.54 0.10 0.00 0.00 175.35 178.15 2r5p n ARG 8 N -0.85 2.16 -1.68 1.78 1.74 -1.26 -4.84 116.66 113.71 2r5p n ARG 8 Ca -0.05 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 2.66 2.45 -3.19 5.56 -0.04 -1.26 -4.94 135.00 136.24 2r5p n PRO 9 Ca 0.14 -2.46 -0.35 0.00 -0.04 0.00 0.00 63.50 60.79 2r5p n PRO 9 Cb 0.31 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 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 2.59 4.29 0.11 1.53 1.43 -1.26 -1.39 118.68 125.99 2r5p s LEU 10 Ca 0.52 1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 54.85 2r5p s LEU 10 Cb 0.12 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2r5p s LEU 10 CO -0.00 0.01 0.15 0.68 0.23 0.00 0.00 176.35 177.42 2r5p s VAL 11 N -1.59 0.12 0.06 -1.59 -7.23 0.34 -4.96 120.40 105.56 2r5p s VAL 11 Ca 0.43 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.87 2r5p s VAL 11 Cb -0.15 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.05 2r5p s VAL 11 CO 0.20 -0.56 0.68 -0.44 -0.31 0.00 0.00 175.10 174.66 2r5p s SER 12 N -2.94 7.15 0.11 4.85 0.01 -1.26 -1.22 113.70 120.39 2r5p s SER 12 Ca 0.13 1.36 0.05 0.00 1.31 0.00 0.00 55.95 58.80 2r5p s SER 12 Cb 0.05 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2r5p s SER 12 CO -0.05 0.13 -0.12 0.27 0.41 0.00 0.00 173.24 173.88 2r5p s ILE 13 N -0.53 1.14 -0.18 1.44 -4.36 0.13 -4.42 121.20 114.43 2r5p s ILE 13 Ca 0.34 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2r5p s ILE 13 Cb -0.20 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 42.06 2r5p s ILE 13 CO 0.21 -0.48 -0.09 -0.75 0.24 0.00 0.00 174.94 174.07 2r5p s LYS 14 N -2.70 3.37 -0.25 0.37 2.20 -0.24 -0.37 119.74 122.12 2r5p s LYS 14 Ca 0.07 -0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 54.77 2r5p s LYS 14 Cb -0.04 -2.82 0.07 0.00 -1.51 0.00 0.00 37.83 33.53 2r5p s LYS 14 CO 0.02 -0.01 0.70 0.54 -0.36 0.00 0.00 175.35 176.24 2r5p s VAL 15 N 0.94 0.00 -1.47 4.02 0.11 0.30 -0.74 120.40 123.57 2r5p s VAL 15 Ca -0.01 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2r5p s VAL 15 Cb -0.15 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2r5p s VAL 15 CO -0.00 -0.00 0.72 0.61 -3.33 0.00 0.00 175.10 173.10 2r5p n GLY 16 N 2.60 -0.52 3.86 6.54 0.00 -1.26 -0.78 105.19 115.63 2r5p n GLY 16 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.56 0.70 3.78 -0.02 0.00 -1.26 -4.95 105.19 101.88 2r5p n GLY 17 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.36 2.78 -0.12 1.61 -0.21 0.04 -5.12 119.66 118.27 2r5p s GLN 18 Ca 0.00 -1.11 -0.04 0.00 0.02 0.00 0.00 55.36 54.23 2r5p s GLN 18 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 2r5p s GLN 18 CO 0.00 0.40 0.04 0.42 -2.12 0.00 0.00 175.29 174.04 2r5p s ILE 19 N -2.11 4.67 0.16 1.08 1.01 -1.26 -0.53 121.20 124.21 2r5p s ILE 19 Ca 0.32 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 2r5p s ILE 19 Cb -0.08 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2r5p s ILE 19 CO 0.23 0.57 0.23 -0.54 0.00 0.00 0.00 174.94 175.43 2r5p s LYS 20 N -0.52 1.12 -0.17 2.79 1.02 0.50 -4.96 119.74 119.52 2r5p s LYS 20 Ca 0.10 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 54.74 2r5p s LYS 20 Cb -0.12 0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 2r5p s LYS 20 CO 0.02 -0.39 0.13 -2.00 -0.92 0.00 0.00 175.35 172.19 2r5p s GLU 21 N -4.00 3.86 0.10 1.68 2.12 -1.26 0.23 118.70 121.43 2r5p s GLU 21 Ca 0.20 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 2r5p s GLU 21 Cb 0.04 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2r5p s GLU 21 CO 0.01 0.49 0.11 0.00 -0.54 0.00 0.00 175.26 175.33 2r5p s ALA 22 N -0.19 0.29 -0.18 6.30 0.00 -0.36 -4.40 121.76 123.22 2r5p s ALA 22 Ca 0.10 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2r5p s ALA 22 Cb -0.11 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 2r5p s ALA 22 CO 0.00 -0.48 0.02 -1.17 0.00 0.00 0.00 175.76 174.13 2r5p s LEU 23 N -2.94 3.52 -0.48 0.00 2.96 0.32 -0.50 118.68 121.56 2r5p s LEU 23 Ca 0.12 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 2r5p s LEU 23 Cb 0.06 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2r5p s LEU 23 CO -0.06 0.15 1.28 -0.76 -1.32 0.00 0.00 176.35 175.64 2r5p s LEU 24 N 0.50 3.57 -0.35 -0.68 1.43 -0.49 -0.72 118.68 121.95 2r5p s LEU 24 Ca 0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2r5p s LEU 24 Cb -0.13 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.74 2r5p s LEU 24 CO 0.02 -1.40 0.07 -0.62 0.23 0.00 0.00 176.35 174.65 2r5p s ASP 25 N 3.28 4.62 0.46 2.29 -1.08 -0.42 -4.79 116.67 121.04 2r5p s ASP 25 Ca 0.53 -2.15 0.22 0.00 -0.52 0.00 0.00 52.55 50.63 2r5p s ASP 25 Cb -0.10 -1.51 1.13 0.00 -1.46 0.00 0.00 42.92 40.98 2r5p s ASP 25 CO 0.31 -0.37 1.96 0.71 0.52 0.00 0.00 175.17 178.29 2r5p h THR 26 N 6.50 0.80 -0.00 1.71 1.35 -1.93 -2.25 112.91 119.09 2r5p h THR 26 Ca -0.06 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2r5p h THR 26 Cb 1.01 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2r5p h THR 26 CO 0.52 0.21 -0.03 0.61 -0.25 0.00 0.00 175.52 176.58 2r5p n GLY 27 N -0.52 -1.00 3.63 5.82 0.00 -1.26 -4.77 105.19 107.09 2r5p n GLY 27 Ca -0.02 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.32 3.57 0.17 4.61 0.00 -0.84 -4.97 121.76 121.98 2r5p s ALA 28 Ca 0.36 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2r5p s ALA 28 Cb 0.21 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 20.89 2r5p s ALA 28 CO 0.43 -0.41 1.49 -0.44 0.00 0.00 0.00 175.76 176.82 2r5p h ASP 29 N 7.93 0.79 -1.60 0.00 3.32 -1.86 -0.42 116.42 124.59 2r5p h ASP 29 Ca -0.36 -0.40 -0.55 0.00 0.02 0.00 0.00 57.03 55.75 2r5p h ASP 29 Cb 1.18 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 2r5p h ASP 29 CO 0.62 1.15 -0.47 -1.81 -1.72 0.00 0.00 179.24 177.00 2r5p s ASP 30 N -6.90 4.57 -0.22 6.45 1.01 -1.26 -3.14 116.67 117.18 2r5p s ASP 30 Ca -0.09 -0.99 -0.06 0.00 0.71 0.00 0.00 52.55 52.12 2r5p s ASP 30 Cb 0.11 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.51 2r5p s ASP 30 CO 0.86 -0.55 0.01 -0.89 0.21 0.00 0.00 175.17 174.81 2r5p s THR 31 N -2.56 3.96 -0.05 -1.27 2.01 -1.26 -3.08 115.64 113.38 2r5p s THR 31 Ca 0.42 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2r5p s THR 31 Cb 0.02 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.73 2r5p s THR 31 CO 0.24 0.40 -0.08 0.54 -0.69 0.00 0.00 174.62 175.02 2r5p s VAL 32 N 1.28 0.81 0.11 3.82 0.11 -0.46 -0.35 120.40 125.72 2r5p s VAL 32 Ca 0.04 -0.30 0.10 0.00 -2.93 0.00 0.00 61.98 58.89 2r5p s VAL 32 Cb -0.15 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2r5p s VAL 32 CO 0.01 0.28 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.19 2r5p s ILE 33 N 0.70 2.04 1.15 7.04 1.01 0.03 -0.51 121.20 132.66 2r5p s ILE 33 Ca -0.12 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 2r5p s ILE 33 Cb -0.14 -1.82 0.27 0.00 0.01 0.00 0.00 42.46 40.78 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 -1.92 -0.79 -0.35 2.79 -1.05 -1.26 -2.02 118.70 114.11 2r5p s GLU 34 Ca 0.11 0.97 -0.45 0.00 -0.15 0.00 0.00 54.97 55.45 2r5p s GLU 34 Cb -0.10 -1.56 -0.20 0.00 -0.44 0.00 0.00 34.13 31.83 2r5p s GLU 34 CO 0.05 -3.67 1.46 0.39 0.95 0.00 0.00 175.26 174.44 2r5p n GLU 35 N -4.90 0.08 -3.67 -4.83 -0.58 -1.25 -4.61 120.64 100.87 2r5p n GLU 35 Ca 0.04 0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.66 2r5p n GLU 35 Cb 0.54 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 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 -0.32 -3.67 2.07 -1.26 -5.07 121.20 115.16 2r5p s ILE 36 Ca 1.01 -0.23 -0.26 0.00 -1.41 0.00 0.00 60.65 59.75 2r5p s ILE 36 Cb -1.41 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 40.44 2r5p s ILE 36 CO 0.74 -0.13 0.93 0.00 -1.91 0.00 0.00 174.94 174.57 2r5p s ALA 37 N -0.98 3.50 -0.02 1.50 0.00 -1.26 -5.03 121.76 119.46 2r5p s ALA 37 Ca -0.10 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.65 2r5p s ALA 37 Cb -0.03 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2r5p s ALA 37 CO 0.05 -1.38 -0.22 -0.51 0.00 0.00 0.00 175.76 173.70 2r5p s LEU 38 N 3.32 2.04 0.60 0.00 1.43 -1.26 -4.83 118.68 119.98 2r5p s LEU 38 Ca 0.39 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2r5p s LEU 38 Cb -0.13 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2r5p s LEU 38 CO 0.14 0.27 1.02 -2.16 0.23 0.00 0.00 176.35 175.85 2r5p s PRO 39 N -0.45 3.60 0.00 1.29 0.04 -1.26 -4.95 135.00 133.26 2r5p s PRO 39 Ca 0.07 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2r5p s PRO 39 Cb -0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2r5p s PRO 39 CO -0.00 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2r5p n GLY 40 N -2.30 0.21 3.90 0.56 0.00 -1.26 -4.95 105.19 101.35 2r5p n GLY 40 Ca 0.06 -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 -1.36 3.57 0.14 1.61 3.52 -1.26 -5.10 118.95 120.07 2r5p s ARG 41 Ca 0.00 0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 2r5p s ARG 41 Cb 0.00 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 2r5p s ARG 41 CO 0.00 -0.27 -0.04 1.67 -0.81 0.00 0.00 175.30 175.85 2r5p s TRP 42 N -2.81 1.07 0.04 5.12 1.48 -1.26 -4.63 118.94 117.96 2r5p s TRP 42 Ca 0.49 -0.94 0.08 0.00 -1.06 0.00 0.00 56.10 54.67 2r5p s TRP 42 Cb -0.10 -0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 31.57 2r5p s TRP 42 CO 0.46 -0.15 -0.24 0.15 -4.06 0.00 0.00 176.95 173.10 2r5p s LYS 43 N -3.86 1.65 0.42 3.25 1.02 -0.68 -4.88 119.74 116.65 2r5p s LYS 43 Ca 0.18 -1.03 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 2r5p s LYS 43 Cb 0.05 -1.79 -0.10 0.00 -0.52 0.00 0.00 37.83 35.48 2r5p s LYS 43 CO -0.00 0.46 0.99 -1.25 -0.92 0.00 0.00 175.35 174.63 2r5p s PRO 44 N -1.17 4.17 0.01 -1.68 0.04 -1.26 0.66 135.00 135.77 2r5p s PRO 44 Ca 0.10 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 2r5p s PRO 44 Cb -0.09 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.16 2r5p s PRO 44 CO 0.02 -0.10 0.44 0.21 0.04 0.00 0.00 177.00 177.61 2r5p s LYS 45 N -2.89 0.88 -0.15 4.56 2.20 -0.29 -4.85 119.74 119.19 2r5p s LYS 45 Ca 0.61 -0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 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 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.17 2r5p s MET 46 N -1.90 3.50 -0.00 4.03 -1.94 -1.26 -0.26 119.30 121.47 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 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 2r5p s MET 46 CO 0.02 0.20 -0.19 0.96 -0.01 0.00 0.00 175.02 175.99 2r5p s ILE 47 N 0.43 1.53 -0.17 2.53 -4.36 -0.86 -4.96 121.20 115.34 2r5p s ILE 47 Ca -0.07 -0.89 -0.09 0.00 -0.26 0.00 0.00 60.65 59.34 2r5p s ILE 47 Cb -0.15 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2r5p s ILE 47 CO 0.04 0.38 0.13 -0.83 0.24 0.00 0.00 174.94 174.90 2r5p s GLY 48 N -0.59 2.07 0.11 6.27 0.00 -1.26 -1.50 107.32 112.42 2r5p s GLY 48 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2r5p s GLY 48 CO -0.00 -0.06 0.06 0.61 0.00 0.00 0.00 173.10 173.70 2r5p n GLY 49 N 2.95 3.33 0.25 0.20 0.00 0.14 -4.95 105.19 107.10 2r5p n GLY 49 Ca -0.17 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.75 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 0.70 0.54 -0.01 -0.61 3.07 -2.04 -2.77 117.51 116.39 2r5p h ILE 50 Ca -0.08 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.53 2r5p h ILE 50 Cb 0.27 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2r5p h ILE 50 CO 0.12 0.16 -0.30 0.61 -1.05 0.00 0.00 178.15 177.70 2r5p n GLY 51 N -0.30 -0.09 0.00 0.16 0.00 -1.26 -5.07 105.19 98.63 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 1.36 0.69 3.90 -0.02 0.00 -1.05 -5.09 105.19 104.98 2r5p n GLY 52 Ca 0.12 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.21 3.51 0.16 1.61 0.40 -1.26 0.24 117.98 121.44 2r5p s PHE 53 Ca 0.00 0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.86 2r5p s PHE 53 Cb 0.00 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 2r5p s PHE 53 CO 0.00 0.53 -0.18 0.96 0.70 0.00 0.00 175.22 177.23 2r5p s ILE 54 N -1.53 1.75 -0.04 0.64 -4.36 -0.56 -4.95 121.20 112.14 2r5p s ILE 54 Ca 0.36 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.71 2r5p s ILE 54 Cb -0.13 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 2r5p s ILE 54 CO 0.24 -0.34 0.39 -0.75 0.24 0.00 0.00 174.94 174.72 2r5p s LYS 55 N -2.80 3.98 0.12 0.37 2.20 -1.26 -2.02 119.74 120.32 2r5p s LYS 55 Ca 0.15 0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2r5p s LYS 55 Cb -0.05 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2r5p s LYS 55 CO 0.06 0.58 0.03 0.14 -0.36 0.00 0.00 175.35 175.79 2r5p s VAL 56 N -0.68 0.23 -0.21 4.02 -7.23 0.64 -4.51 120.40 112.66 2r5p s VAL 56 Ca 0.23 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 2r5p s VAL 56 Cb -0.16 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2r5p s VAL 56 CO 0.11 -0.59 0.11 -0.13 -0.31 0.00 0.00 175.10 174.30 2r5p s ARG 57 N -3.99 4.05 -0.33 4.82 0.52 0.10 -1.14 118.95 122.97 2r5p s ARG 57 Ca 0.20 -0.29 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 2r5p s ARG 57 Cb 0.07 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 2r5p s ARG 57 CO -0.01 0.18 0.35 -1.14 0.02 0.00 0.00 175.30 174.71 2r5p s GLN 58 N 0.68 3.63 -0.05 3.54 0.74 0.21 -0.18 119.66 128.24 2r5p s GLN 58 Ca 0.06 -0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 2r5p s GLN 58 Cb -0.13 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2r5p s GLN 58 CO 0.01 -0.48 -0.00 0.71 -0.55 0.00 0.00 175.29 174.98 2r5p s TYR 59 N 2.01 3.11 0.33 1.67 1.51 -0.33 -1.69 117.35 123.96 2r5p s TYR 59 Ca 0.12 0.14 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 2r5p s TYR 59 Cb -0.16 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2r5p s TYR 59 CO 0.11 0.46 0.07 -0.51 -1.11 0.00 0.00 175.55 174.57 2r5p s ASP 60 N -1.19 4.46 -1.36 2.29 1.01 -1.26 -0.78 116.67 119.85 2r5p s ASP 60 Ca 0.16 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.54 2r5p s ASP 60 Cb -0.11 -0.67 0.02 0.00 1.01 0.00 0.00 42.92 43.17 2r5p s ASP 60 CO 0.06 -0.22 0.88 0.00 0.21 0.00 0.00 175.17 176.10 2r5p n GLN 61 N -1.03 -5.74 -3.94 8.23 1.13 -1.20 -4.92 117.38 109.91 2r5p n GLN 61 Ca -0.04 0.68 -0.35 0.00 -1.94 0.00 0.00 57.00 55.34 2r5p n GLN 61 Cb 0.61 -5.46 -0.08 0.00 0.11 0.00 0.00 30.24 25.42 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 5.09 -0.04 5.09 -1.09 -0.05 -4.80 121.20 121.91 2r5p s ILE 62 Ca 0.25 0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.62 2r5p s ILE 62 Cb -0.12 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 2r5p s ILE 62 CO 0.79 0.51 0.30 -0.63 -1.23 0.00 0.00 174.94 174.69 2r5p s ILE 63 N -0.12 5.22 0.04 2.92 1.01 -1.26 -1.12 121.20 127.89 2r5p s ILE 63 Ca 0.09 0.58 0.02 0.00 0.00 0.00 0.00 60.65 61.34 2r5p s ILE 63 Cb -0.12 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2r5p s ILE 63 CO 0.01 0.58 -0.08 0.27 0.00 0.00 0.00 174.94 175.72 2r5p s ILE 64 N -1.07 0.59 -0.04 2.92 -4.36 -0.06 -4.42 121.20 114.75 2r5p s ILE 64 Ca 0.21 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.59 2r5p s ILE 64 Cb -0.15 -0.64 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 2r5p s ILE 64 CO 0.10 -0.34 -0.21 -0.70 0.24 0.00 0.00 174.94 174.03 2r5p s GLU 65 N -1.52 1.98 -0.13 0.37 2.12 0.09 -1.56 118.70 120.04 2r5p s GLU 65 Ca -0.09 -0.73 -0.04 0.00 0.36 0.00 0.00 54.97 54.47 2r5p s GLU 65 Cb -0.10 -1.76 0.06 0.00 0.26 0.00 0.00 34.13 32.60 2r5p s GLU 65 CO 0.01 0.34 0.19 0.42 -0.54 0.00 0.00 175.26 175.68 2r5p s ILE 66 N -0.17 -0.29 -1.34 -3.70 1.01 0.51 -1.07 121.20 116.14 2r5p s ILE 66 Ca -0.00 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2r5p s ILE 66 Cb -0.11 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 41.93 2r5p s ILE 66 CO 0.02 0.01 0.82 0.00 0.00 0.00 0.00 174.94 175.79 2r5p n GLY 68 N -1.58 2.66 3.79 0.00 0.00 -1.26 -5.00 105.19 103.80 2r5p n GLY 68 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 3.13 0.17 1.61 1.02 -0.62 -5.12 119.74 119.93 2r5p s LYS 69 Ca 0.00 -0.40 0.08 0.00 0.02 0.00 0.00 55.97 55.67 2r5p s LYS 69 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2r5p s LYS 69 CO 0.00 0.68 -0.08 0.15 -0.92 0.00 0.00 175.35 175.18 2r5p s LYS 70 N -1.46 2.12 -0.02 1.68 1.02 -1.26 -0.36 119.74 121.45 2r5p s LYS 70 Ca 0.20 -1.21 -0.16 0.00 0.02 0.00 0.00 55.97 54.82 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 0.00 175.35 175.33 2r5p s ALA 71 N -1.63 -0.88 0.03 5.17 0.00 -0.60 -4.77 121.76 119.08 2r5p s ALA 71 Ca 0.25 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2r5p s ALA 71 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2r5p s ALA 71 CO 0.15 -0.27 -0.19 -1.50 0.00 0.00 0.00 175.76 173.96 2r5p s ILE 72 N -1.27 1.49 -2.23 0.00 2.07 -1.26 -0.89 121.20 119.11 2r5p s ILE 72 Ca -0.13 -1.05 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 2r5p s ILE 72 Cb -0.05 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.26 2r5p s ILE 72 CO 0.05 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 2r5p n GLY 73 N 2.06 -1.22 3.75 1.50 0.00 -0.27 -4.90 105.19 106.10 2r5p n GLY 73 Ca -0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 3.86 -0.08 2.61 2.01 -1.26 -0.87 115.64 118.91 2r5p s THR 74 Ca 0.00 1.72 0.02 0.00 0.31 0.00 0.00 61.69 63.74 2r5p s THR 74 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.43 2r5p s THR 74 CO 0.00 0.35 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 2r5p s VAL 75 N -0.68 1.28 -0.16 3.82 1.01 0.04 -4.51 120.40 121.20 2r5p s VAL 75 Ca 0.46 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2r5p s VAL 75 Cb -0.29 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2r5p s VAL 75 CO 0.36 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 175.21 2r5p s LEU 76 N 0.71 4.23 -0.15 3.92 1.43 0.52 -1.18 118.68 128.15 2r5p s LEU 76 Ca -0.13 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2r5p s LEU 76 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2r5p s LEU 76 CO 0.03 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.05 2r5p s VAL 77 N -0.29 2.56 -0.02 -1.59 1.01 0.75 -0.79 120.40 122.02 2r5p s VAL 77 Ca 0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2r5p s VAL 77 Cb -0.12 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.23 2r5p s VAL 77 CO 0.01 0.52 0.51 0.61 0.00 0.00 0.00 175.10 176.75 2r5p n GLY 78 N 4.06 0.40 3.08 4.51 0.00 -0.86 0.00 105.19 116.38 2r5p n GLY 78 Ca -0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.37 2.13 -3.90 1.61 -0.04 -1.26 -3.83 135.00 129.34 2r5p n PRO 79 Ca 0.02 -2.31 -0.35 0.00 -0.04 0.00 0.00 63.50 60.82 2r5p n PRO 79 Cb 0.23 -3.19 -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 5.01 5.20 0.58 0.52 -1.32 -1.26 -4.99 115.64 119.38 2r5p s THR 80 Ca 0.55 0.11 0.28 0.00 -1.21 0.00 0.00 61.69 61.42 2r5p s THR 80 Cb 0.12 -3.32 0.35 0.00 -1.51 0.00 0.00 72.50 68.14 2r5p s THR 80 CO 0.05 0.52 2.22 1.55 -2.21 0.00 0.00 174.62 176.74 2r5p h PRO 81 N 6.02 0.00 -3.77 7.08 0.13 -1.99 -3.43 132.00 136.05 2r5p h PRO 81 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.67 0.00 -0.57 0.08 -0.23 0.00 0.00 178.00 177.95 2r5p s VAL 82 N -4.68 0.11 0.09 1.56 1.01 -1.26 -5.11 120.40 112.12 2r5p s VAL 82 Ca -0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2r5p s VAL 82 Cb 0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2r5p s VAL 82 CO 0.56 -0.50 0.96 0.20 0.00 0.00 0.00 175.10 176.32 2r5p s ASN 83 N -1.66 7.47 -0.13 3.32 0.01 -1.26 -4.77 114.94 117.92 2r5p s ASN 83 Ca -0.12 1.76 0.01 0.00 -0.71 0.00 0.00 52.86 53.81 2r5p s ASN 83 Cb -0.06 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2r5p s ASN 83 CO -0.01 -0.10 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.69 2r5p s ILE 84 N 0.18 1.58 -0.41 0.60 1.01 0.33 -0.53 121.20 123.96 2r5p s ILE 84 Ca 0.48 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2r5p s ILE 84 Cb -0.23 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2r5p s ILE 84 CO 0.29 0.46 0.40 -0.63 0.00 0.00 0.00 174.94 175.47 2r5p s ILE 85 N 1.16 5.13 0.57 2.92 -1.09 0.10 -1.36 121.20 128.63 2r5p s ILE 85 Ca -0.02 -0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2r5p s ILE 85 Cb -0.14 -4.00 0.11 0.00 -1.58 0.00 0.00 42.46 36.85 2r5p s ILE 85 CO -0.05 -0.38 0.78 0.61 -1.23 0.00 0.00 174.94 174.67 2r5p n GLY 86 N 5.11 0.69 0.36 6.18 0.00 -1.18 -1.30 105.19 115.05 2r5p n GLY 86 Ca -0.08 -2.02 0.08 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 0.70 -0.12 1.61 3.08 -1.15 0.11 114.38 118.61 2r5p h ARG 87 Ca -0.26 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.78 2r5p h ARG 87 Cb 0.96 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 2r5p h ARG 87 CO 0.28 0.47 0.16 -2.95 -1.07 0.00 0.00 179.97 176.86 2r5p h ASN 88 N 0.73 0.00 0.00 7.04 -1.07 -1.81 -1.30 115.58 119.17 2r5p h ASN 88 Ca 0.33 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.40 2r5p h ASN 88 Cb 0.34 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.54 2r5p h ASN 88 CO -0.12 0.00 -2.12 0.23 0.07 0.00 0.00 177.43 175.49 2r5p n MET 89 N -3.65 0.85 -0.36 4.14 2.81 -0.67 -4.44 117.12 115.80 2r5p n MET 89 Ca 0.00 0.07 0.01 0.00 -1.81 0.00 0.00 57.70 55.97 2r5p n MET 89 Cb 0.27 -1.40 0.14 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.03 -0.75 4.03 3.38 -0.35 -1.82 115.31 120.83 2r5p h LEU 90 Ca -0.44 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2r5p h LEU 90 Cb 1.80 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 2r5p h LEU 90 CO -0.03 0.69 0.49 0.71 0.09 0.00 0.00 178.44 180.38 2r5p h THR 91 N 1.19 1.15 0.00 0.22 1.35 -1.49 -1.81 112.91 113.52 2r5p h THR 91 Ca 0.40 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.90 2r5p h THR 91 Cb 0.06 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2r5p h THR 91 CO -0.14 0.18 -0.11 1.56 -0.25 0.00 0.00 175.52 176.76 2r5p h GLN 92 N 0.97 0.00 -0.01 4.72 1.08 -1.56 -0.44 115.11 119.88 2r5p h GLN 92 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2r5p h GLN 92 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2r5p h GLN 92 CO -0.09 0.11 -0.16 1.28 -0.95 0.00 0.00 178.83 179.02 2r5p n LEU 93 N -3.68 0.99 -0.92 1.46 4.77 -0.85 -4.88 117.00 113.88 2r5p n LEU 93 Ca -0.02 -0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 55.62 2r5p n LEU 93 Cb 0.23 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2r5p n LEU 93 CO 0.30 0.18 -0.10 0.61 -1.33 0.00 0.00 177.39 177.04 2r5p n GLY 94 N 1.28 0.13 3.70 -0.72 0.00 -0.17 -4.99 105.19 104.41 2r5p n GLY 94 Ca 0.15 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 1.41 1.28 -0.20 0.00 -4.23 -1.26 -4.64 115.64 107.99 2r5p s THR 96 Ca 0.46 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2r5p s THR 96 Cb -0.19 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2r5p s THR 96 CO 0.21 -0.11 0.05 -0.22 -0.54 0.00 0.00 174.62 174.01 2r5p s LEU 97 N -3.46 3.62 -0.01 4.79 2.96 -1.26 -5.09 118.68 120.23 2r5p s LEU 97 Ca 0.34 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2r5p s LEU 97 Cb 0.07 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2r5p s LEU 97 CO 0.14 0.11 -0.10 0.20 -1.32 0.00 0.00 176.35 175.37 2r5p s ASN 98 N 0.77 1.23 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.19 2r5p s ASN 98 Ca 0.03 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 2r5p s ASN 98 Cb -0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 2r5p s ASN 98 CO 0.02 0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.90