#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8n s GLN 2 N 0.00 3.06 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.41 2r8n s GLN 2 Ca 0.00 -0.85 -0.04 0.00 0.05 0.00 0.00 55.36 54.53 2r8n s GLN 2 Cb 0.00 -3.13 -0.00 0.00 1.10 0.00 0.00 33.01 30.98 2r8n s GLN 2 CO 0.00 -0.37 -0.04 0.42 -0.55 0.00 0.00 175.29 174.75 2r8n s ILE 3 N 1.42 3.29 0.80 -2.34 1.01 -1.26 -5.10 121.20 119.02 2r8n s ILE 3 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2r8n s ILE 3 Cb -0.16 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.87 2r8n s ILE 3 CO -0.02 0.38 1.15 0.42 0.00 0.00 0.00 174.94 176.87 2r8n s THR 4 N 1.45 2.08 -0.13 2.92 -4.23 -1.26 -5.01 115.64 111.45 2r8n s THR 4 Ca 0.05 -0.08 0.19 0.00 -1.18 0.00 0.00 61.69 60.66 2r8n s THR 4 Cb -0.15 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.00 2r8n s THR 4 CO -0.04 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.38 2r8n n LEU 5 N -3.25 2.38 0.23 4.79 4.77 -1.26 -4.63 117.00 120.02 2r8n n LEU 5 Ca 0.09 -3.11 0.09 0.00 -0.03 0.00 0.00 56.01 53.05 2r8n n LEU 5 Cb 0.61 -0.43 0.56 0.00 -2.33 0.00 0.00 43.42 41.83 2r8n n LEU 5 CO 0.54 0.73 0.87 -0.50 -1.33 0.00 0.00 177.39 177.70 2r8n h TRP 6 N 0.05 0.00 -2.09 -1.77 4.06 -2.06 -3.43 115.95 110.71 2r8n h TRP 6 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2r8n h TRP 6 Cb 1.01 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.03 2r8n h TRP 6 CO 0.02 0.21 -0.63 -1.59 -3.56 0.00 0.00 178.44 172.90 2r8n s LYS 7 N -4.13 1.81 0.25 0.49 -2.85 -1.26 -5.10 119.74 108.95 2r8n s LYS 7 Ca -0.02 -1.99 -0.31 0.00 -1.00 0.00 0.00 55.97 52.65 2r8n s LYS 7 Cb 0.13 -1.43 -0.13 0.00 -2.06 0.00 0.00 37.83 34.34 2r8n s LYS 7 CO 0.64 -0.02 1.45 0.54 0.10 0.00 0.00 175.35 178.05 2r8n n ARG 8 N -0.82 2.19 -1.94 1.78 1.74 -1.26 -4.84 116.66 113.50 2r8n n ARG 8 Ca -0.05 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2r8n n ARG 8 Cb 0.66 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 2r8n n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r8n n PRO 9 N 2.04 2.98 -3.03 5.56 -0.04 -1.26 -4.92 135.00 136.33 2r8n n PRO 9 Ca 0.11 -2.81 -0.40 0.00 -0.04 0.00 0.00 63.50 60.36 2r8n n PRO 9 Cb 0.33 -3.29 -0.05 0.00 -0.04 0.00 0.00 33.50 30.44 2r8n n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r8n s LEU 10 N 2.35 4.46 0.11 1.53 1.43 -1.26 -1.23 118.68 126.07 2r8n s LEU 10 Ca 0.48 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2r8n s LEU 10 Cb 0.12 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2r8n s LEU 10 CO -0.05 0.06 -0.09 0.68 0.23 0.00 0.00 176.35 177.17 2r8n s VAL 11 N -0.22 0.97 0.04 -1.59 -7.23 0.27 -4.96 120.40 107.68 2r8n s VAL 11 Ca 0.37 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 2r8n s VAL 11 Cb -0.20 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2r8n s VAL 11 CO 0.22 -0.67 0.82 -0.55 -0.31 0.00 0.00 175.10 174.61 2r8n s SER 12 N -2.76 7.25 0.08 4.85 0.15 -1.26 -0.96 113.70 121.05 2r8n s SER 12 Ca 0.10 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.32 2r8n s SER 12 Cb 0.00 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2r8n s SER 12 CO -0.01 -0.05 -0.18 0.27 1.20 0.00 0.00 173.24 174.47 2r8n s ILE 13 N 0.19 1.48 -0.18 6.45 -4.36 0.11 -4.41 121.20 120.47 2r8n s ILE 13 Ca 0.41 -1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 59.30 2r8n s ILE 13 Cb -0.21 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 2r8n s ILE 13 CO 0.24 -0.06 0.25 -0.54 0.24 0.00 0.00 174.94 175.08 2r8n s LYS 14 N -1.68 4.21 -0.24 0.37 1.02 -0.41 -1.12 119.74 121.90 2r8n s LYS 14 Ca 0.04 -0.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.87 2r8n s LYS 14 Cb -0.10 -3.45 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 2r8n s LYS 14 CO 0.03 0.20 0.60 0.54 -0.92 0.00 0.00 175.35 175.80 2r8n s VAL 15 N 0.61 -0.01 -1.75 3.17 0.11 -0.56 -1.53 120.40 120.45 2r8n s VAL 15 Ca 0.14 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2r8n s VAL 15 Cb -0.13 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2r8n s VAL 15 CO 0.03 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 2r8n n GLY 16 N 3.88 -0.33 2.38 6.54 0.00 -1.26 -0.84 105.19 115.55 2r8n n GLY 16 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2r8n n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8n n GLY 17 N -0.99 0.34 3.65 -0.02 0.00 -1.26 -4.92 105.19 101.99 2r8n n GLY 17 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2r8n n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r8n s GLN 18 N -0.68 2.02 -0.10 1.61 -1.52 -0.02 -5.15 119.66 115.82 2r8n s GLN 18 Ca 0.00 -2.12 0.02 0.00 -1.95 0.00 0.00 55.36 51.32 2r8n s GLN 18 Cb 0.00 -1.67 -0.01 0.00 -0.22 0.00 0.00 33.01 31.11 2r8n s GLN 18 CO 0.00 -0.10 -0.18 0.42 -0.25 0.00 0.00 175.29 175.18 2r8n s ILE 19 N -2.72 2.61 0.13 1.08 -1.09 -1.26 -1.49 121.20 118.45 2r8n s ILE 19 Ca 0.32 -0.84 0.05 0.00 -2.23 0.00 0.00 60.65 57.95 2r8n s ILE 19 Cb 0.08 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 2r8n s ILE 19 CO 0.17 0.55 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.78 2r8n s LYS 20 N 0.13 0.99 -0.10 2.79 -0.14 -0.28 -4.97 119.74 118.16 2r8n s LYS 20 Ca -0.09 -1.31 -0.08 0.00 -1.36 0.00 0.00 55.97 53.13 2r8n s LYS 20 Cb -0.16 -0.67 -0.04 0.00 -1.68 0.00 0.00 37.83 35.28 2r8n s LYS 20 CO 0.06 0.10 0.18 -2.00 -0.76 0.00 0.00 175.35 172.93 2r8n s GLU 21 N -3.17 3.51 0.11 1.68 2.12 -1.26 0.04 118.70 121.73 2r8n s GLU 21 Ca 0.11 -0.05 -0.13 0.00 0.36 0.00 0.00 54.97 55.26 2r8n s GLU 21 Cb -0.01 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.20 2r8n s GLU 21 CO 0.01 0.76 0.32 0.00 -0.54 0.00 0.00 175.26 175.82 2r8n s ALA 22 N -1.03 -0.67 -0.23 6.30 0.00 -0.13 -4.40 121.76 121.60 2r8n s ALA 22 Ca 0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 2r8n s ALA 22 Cb -0.13 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 2r8n s ALA 22 CO 0.05 -0.59 0.14 -1.17 0.00 0.00 0.00 175.76 174.20 2r8n s LEU 23 N -2.79 4.09 -0.42 0.00 2.96 0.29 -0.56 118.68 122.25 2r8n s LEU 23 Ca 0.03 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 2r8n s LEU 23 Cb 0.03 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.65 2r8n s LEU 23 CO -0.11 0.10 1.34 -0.76 -1.32 0.00 0.00 176.35 175.59 2r8n s LEU 24 N 0.87 3.62 -0.36 -0.68 1.43 -0.37 -0.65 118.68 122.55 2r8n s LEU 24 Ca 0.07 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2r8n s LEU 24 Cb -0.13 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.66 2r8n s LEU 24 CO 0.03 -1.36 0.12 -0.62 0.23 0.00 0.00 176.35 174.74 2r8n s ASP 25 N 3.51 4.27 0.50 2.29 -1.08 -0.20 -4.77 116.67 121.19 2r8n s ASP 25 Ca 0.58 -2.09 0.33 0.00 -0.52 0.00 0.00 52.55 50.84 2r8n s ASP 25 Cb -0.12 -1.23 1.48 0.00 -1.46 0.00 0.00 42.92 41.58 2r8n s ASP 25 CO 0.32 -0.36 1.98 0.71 0.52 0.00 0.00 175.17 178.33 2r8n h THR 26 N 6.26 0.00 0.00 1.71 1.35 -1.93 -2.14 112.91 118.16 2r8n h THR 26 Ca -0.08 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2r8n h THR 26 Cb 0.99 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2r8n h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2r8n n GLY 27 N -0.27 -1.23 3.48 5.82 0.00 -1.26 -4.84 105.19 106.90 2r8n n GLY 27 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2r8n n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8n s ALA 28 N -2.51 2.94 0.16 4.61 0.00 -0.80 -5.01 121.76 121.15 2r8n s ALA 28 Ca 0.30 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 2r8n s ALA 28 Cb 0.20 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.86 2r8n s ALA 28 CO 0.44 0.24 1.53 -0.44 0.00 0.00 0.00 175.76 177.53 2r8n h ASP 29 N 6.61 0.95 -1.95 0.00 3.32 -1.88 0.98 116.42 124.45 2r8n h ASP 29 Ca -0.31 -0.40 -0.62 0.00 0.02 0.00 0.00 57.03 55.72 2r8n h ASP 29 Cb 1.19 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 2r8n h ASP 29 CO 0.61 1.18 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.82 2r8n s ASP 30 N -6.80 3.75 -0.22 6.45 1.01 -1.26 -2.23 116.67 117.37 2r8n s ASP 30 Ca -0.11 -1.18 -0.08 0.00 0.71 0.00 0.00 52.55 51.90 2r8n s ASP 30 Cb 0.12 -0.36 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 2r8n s ASP 30 CO 0.87 -0.19 0.07 -0.89 0.21 0.00 0.00 175.17 175.24 2r8n s THR 31 N -2.60 4.58 -0.09 -1.27 2.01 -1.26 -3.06 115.64 113.95 2r8n s THR 31 Ca 0.32 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2r8n s THR 31 Cb 0.02 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2r8n s THR 31 CO 0.17 0.39 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 2r8n s VAL 32 N 1.07 0.98 -0.03 3.82 1.01 -0.50 -0.80 120.40 125.94 2r8n s VAL 32 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2r8n s VAL 32 Cb -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2r8n s VAL 32 CO 0.03 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 174.73 2r8n s ILE 33 N 1.25 0.95 0.11 2.22 1.01 -0.17 -0.77 121.20 125.79 2r8n s ILE 33 Ca -0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2r8n s ILE 33 Cb -0.14 -0.84 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 2r8n s ILE 33 CO -0.03 0.29 0.54 -0.70 0.00 0.00 0.00 174.94 175.04 2r8n s GLU 34 N 0.22 4.03 -1.02 2.79 2.12 -1.24 -2.24 118.70 123.36 2r8n s GLU 34 Ca -0.04 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 2r8n s GLU 34 Cb -0.10 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 2r8n s GLU 34 CO 0.01 0.55 0.89 0.39 -0.54 0.00 0.00 175.26 176.56 2r8n n GLU 35 N 1.18 -3.04 -3.88 4.30 1.02 -1.26 -4.96 120.64 114.00 2r8n n GLU 35 Ca -0.08 0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 57.74 2r8n n GLU 35 Cb 0.52 -5.62 -0.15 0.00 -0.02 0.00 0.00 31.44 26.17 2r8n n GLU 35 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2r8n s ILE 36 N -3.36 0.05 -0.18 -3.67 1.10 -1.26 -5.13 121.20 108.74 2r8n s ILE 36 Ca 0.34 0.05 -0.22 0.00 -0.51 0.00 0.00 60.65 60.31 2r8n s ILE 36 Cb -0.04 -0.10 -0.02 0.00 0.15 0.00 0.00 42.46 42.44 2r8n s ILE 36 CO 0.70 0.06 0.69 0.00 -2.11 0.00 0.00 174.94 174.28 2r8n s ALA 37 N 0.45 3.53 0.10 1.50 0.00 -1.26 -5.02 121.76 121.05 2r8n s ALA 37 Ca -0.04 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.84 2r8n s ALA 37 Cb -0.06 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2r8n s ALA 37 CO -0.01 -0.56 -0.20 -0.51 0.00 0.00 0.00 175.76 174.47 2r8n s LEU 38 N 1.93 2.30 0.60 0.00 1.43 -1.26 -4.79 118.68 118.89 2r8n s LEU 38 Ca 0.32 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2r8n s LEU 38 Cb -0.16 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2r8n s LEU 38 CO 0.11 0.04 0.95 -2.16 0.23 0.00 0.00 176.35 175.53 2r8n s PRO 39 N -1.90 3.21 0.02 1.29 0.04 -1.26 -4.99 135.00 131.42 2r8n s PRO 39 Ca 0.05 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2r8n s PRO 39 Cb -0.10 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2r8n s PRO 39 CO 0.04 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2r8n n GLY 40 N -2.65 -3.71 3.69 0.56 0.00 -1.26 -4.89 105.19 96.93 2r8n n GLY 40 Ca 0.05 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2r8n n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r8n s ARG 41 N -0.83 4.35 0.31 1.61 3.52 -1.26 -5.06 118.95 121.58 2r8n s ARG 41 Ca 0.00 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.53 2r8n s ARG 41 Cb 0.00 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2r8n s ARG 41 CO 0.00 -0.12 0.27 1.67 -0.81 0.00 0.00 175.30 176.31 2r8n s TRP 42 N 1.43 2.97 0.03 5.12 1.48 -1.26 -4.60 118.94 124.11 2r8n s TRP 42 Ca 0.36 -0.24 0.02 0.00 -1.06 0.00 0.00 56.10 55.17 2r8n s TRP 42 Cb -0.17 -1.69 -0.02 0.00 -1.16 0.00 0.00 33.47 30.43 2r8n s TRP 42 CO 0.15 0.28 -0.06 -1.59 -4.06 0.00 0.00 176.95 171.66 2r8n s LYS 43 N -3.96 0.46 0.53 3.25 -2.85 -0.96 -4.92 119.74 111.29 2r8n s LYS 43 Ca 0.39 -0.67 -0.21 0.00 -1.00 0.00 0.00 55.97 54.48 2r8n s LYS 43 Cb -0.06 -0.19 -0.06 0.00 -2.06 0.00 0.00 37.83 35.46 2r8n s LYS 43 CO 0.26 0.03 1.18 -1.25 0.10 0.00 0.00 175.35 175.67 2r8n s PRO 44 N -1.44 3.38 -0.01 1.78 0.04 -1.26 -0.31 135.00 137.19 2r8n s PRO 44 Ca -0.11 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2r8n s PRO 44 Cb -0.09 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2r8n s PRO 44 CO 0.00 -0.86 -0.02 0.21 0.04 0.00 0.00 177.00 176.37 2r8n s LYS 45 N -3.07 0.18 -0.24 4.56 2.20 -0.17 -4.82 119.74 118.38 2r8n s LYS 45 Ca 0.71 -0.04 -0.13 0.00 -0.36 0.00 0.00 55.97 56.15 2r8n s LYS 45 Cb -0.28 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 2r8n s LYS 45 CO 0.32 0.01 0.28 -1.64 -0.36 0.00 0.00 175.35 173.96 2r8n s MET 46 N 0.17 4.08 0.37 4.03 -1.94 -1.26 -0.93 119.30 123.82 2r8n s MET 46 Ca -0.01 -0.06 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2r8n s MET 46 Cb -0.03 -3.57 -0.07 0.00 2.01 0.00 0.00 34.83 33.16 2r8n s MET 46 CO -0.00 -0.06 -0.00 0.96 -0.01 0.00 0.00 175.02 175.91 2r8n s ILE 47 N 1.39 1.87 0.00 2.53 -4.36 -0.07 -4.93 121.20 117.63 2r8n s ILE 47 Ca 0.13 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 2r8n s ILE 47 Cb -0.15 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.70 2r8n s ILE 47 CO 0.07 -0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.80 2r8n n GLY 48 N -0.86 1.18 0.00 6.27 0.00 -1.26 -1.22 105.19 109.30 2r8n n GLY 48 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2r8n n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8n n GLY 49 N 0.00 2.36 3.43 -0.02 0.00 0.83 -4.99 105.19 106.80 2r8n n GLY 49 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2r8n n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8n s ILE 50 N -2.32 4.60 0.00 -0.61 1.01 -1.26 -3.49 121.20 119.13 2r8n s ILE 50 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2r8n s ILE 50 Cb 0.00 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.81 2r8n s ILE 50 CO 0.00 -1.38 0.00 0.61 0.00 0.00 0.00 174.94 174.17 2r8n n GLY 51 N 5.33 0.81 0.00 6.18 0.00 -1.26 -4.95 105.19 111.30 2r8n n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2r8n n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8n n GLY 52 N -1.88 1.67 3.37 -0.02 0.00 -1.23 -5.15 105.19 101.96 2r8n n GLY 52 Ca 0.00 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 2r8n n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r8n s PHE 53 N -1.66 2.08 -0.07 1.61 0.40 -1.26 -0.12 117.98 118.96 2r8n s PHE 53 Ca 0.00 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2r8n s PHE 53 Cb 0.00 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.44 2r8n s PHE 53 CO 0.00 0.38 -0.17 0.42 0.70 0.00 0.00 175.22 176.55 2r8n s ILE 54 N -1.59 2.81 0.00 0.64 -1.09 -0.35 -4.94 121.20 116.67 2r8n s ILE 54 Ca 0.16 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 2r8n s ILE 54 Cb -0.08 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 2r8n s ILE 54 CO 0.07 0.57 0.76 -0.75 -1.23 0.00 0.00 174.94 174.36 2r8n s LYS 55 N -0.28 4.48 0.25 2.79 2.20 -1.26 -0.90 119.74 127.02 2r8n s LYS 55 Ca 0.01 1.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 2r8n s LYS 55 Cb -0.13 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2r8n s LYS 55 CO 0.03 0.18 0.07 0.14 -0.36 0.00 0.00 175.35 175.40 2r8n s VAL 56 N 0.34 0.71 -0.24 4.02 -7.23 -0.11 -4.78 120.40 113.12 2r8n s VAL 56 Ca 0.39 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.47 2r8n s VAL 56 Cb -0.20 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2r8n s VAL 56 CO 0.22 -0.10 0.13 -0.13 -0.31 0.00 0.00 175.10 174.90 2r8n s ARG 57 N -3.98 3.97 -0.26 4.82 0.52 -0.28 -1.00 118.95 122.74 2r8n s ARG 57 Ca 0.35 -0.32 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 2r8n s ARG 57 Cb 0.07 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2r8n s ARG 57 CO 0.12 0.03 0.36 -1.14 0.02 0.00 0.00 175.30 174.68 2r8n s GLN 58 N 1.12 4.05 -0.12 3.54 0.74 0.58 -0.70 119.66 128.86 2r8n s GLN 58 Ca 0.06 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.52 2r8n s GLN 58 Cb -0.14 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.33 2r8n s GLN 58 CO 0.05 -0.21 -0.15 0.71 -0.55 0.00 0.00 175.29 175.13 2r8n s TYR 59 N 1.86 2.76 0.24 1.67 1.51 -0.48 -2.27 117.35 122.64 2r8n s TYR 59 Ca 0.15 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 2r8n s TYR 59 Cb -0.15 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2r8n s TYR 59 CO 0.09 -0.25 0.39 -0.51 -1.11 0.00 0.00 175.55 174.16 2r8n s ASP 60 N 0.35 6.33 -1.29 2.29 1.01 -1.26 -0.83 116.67 123.27 2r8n s ASP 60 Ca -0.13 0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 2r8n s ASP 60 Cb -0.16 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 2r8n s ASP 60 CO 0.06 -0.09 0.70 0.00 0.21 0.00 0.00 175.17 176.06 2r8n n GLN 61 N -1.18 -4.55 -3.71 8.23 6.02 -1.16 -4.90 117.38 116.14 2r8n n GLN 61 Ca -0.07 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.16 2r8n n GLN 61 Cb 0.56 -5.12 -0.06 0.00 1.02 0.00 0.00 30.24 26.63 2r8n n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2r8n s ILE 62 N -3.66 5.31 -0.17 5.09 -1.09 0.01 -4.77 121.20 121.93 2r8n s ILE 62 Ca 0.05 0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 58.78 2r8n s ILE 62 Cb -0.01 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2r8n s ILE 62 CO 0.81 0.58 0.41 -0.63 -1.23 0.00 0.00 174.94 174.89 2r8n s ILE 63 N -0.91 5.21 0.30 2.92 1.01 -1.26 -1.20 121.20 127.28 2r8n s ILE 63 Ca 0.18 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.69 2r8n s ILE 63 Cb -0.14 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 2r8n s ILE 63 CO 0.07 0.30 -0.13 0.27 0.00 0.00 0.00 174.94 175.45 2r8n s ILE 64 N 0.94 2.18 -0.02 2.92 -4.36 -0.03 -4.47 121.20 118.37 2r8n s ILE 64 Ca 0.21 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 2r8n s ILE 64 Cb -0.14 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.13 2r8n s ILE 64 CO 0.08 -0.32 -0.01 -0.70 0.24 0.00 0.00 174.94 174.22 2r8n s GLU 65 N -3.60 0.32 -0.04 0.37 2.12 -0.59 -1.11 118.70 116.18 2r8n s GLU 65 Ca 0.30 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 2r8n s GLU 65 Cb -0.00 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.00 2r8n s GLU 65 CO 0.14 -0.05 0.00 0.42 -0.54 0.00 0.00 175.26 175.23 2r8n s ILE 66 N 0.60 0.23 -1.59 -3.70 1.01 -0.22 -1.28 121.20 116.25 2r8n s ILE 66 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 2r8n s ILE 66 Cb -0.09 -0.35 0.11 0.00 0.01 0.00 0.00 42.46 42.14 2r8n s ILE 66 CO -0.01 0.18 0.83 0.00 0.00 0.00 0.00 174.94 175.95 2r8n n GLY 68 N -1.59 1.18 3.45 0.00 0.00 -1.26 -4.91 105.19 102.06 2r8n n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2r8n n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2r8n s LYS 69 N -0.13 3.53 0.18 1.61 2.20 -0.21 -5.11 119.74 121.81 2r8n s LYS 69 Ca 0.00 -0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2r8n s LYS 69 Cb 0.00 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 2r8n s LYS 69 CO 0.00 0.24 0.45 0.15 -0.36 0.00 0.00 175.35 175.84 2r8n s LYS 70 N 0.32 3.69 -0.06 4.03 1.02 -1.26 -1.05 119.74 126.43 2r8n s LYS 70 Ca -0.07 0.06 -0.09 0.00 0.02 0.00 0.00 55.97 55.89 2r8n s LYS 70 Cb -0.15 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2r8n s LYS 70 CO 0.04 0.40 0.24 0.00 -0.92 0.00 0.00 175.35 175.11 2r8n s ALA 71 N -1.74 -0.59 -0.08 5.17 0.00 -0.26 -4.76 121.76 119.49 2r8n s ALA 71 Ca 0.44 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2r8n s ALA 71 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2r8n s ALA 71 CO 0.23 -0.16 -0.22 0.42 0.00 0.00 0.00 175.76 176.04 2r8n s ILE 72 N -0.36 1.86 -0.21 0.00 1.01 -1.26 -0.85 121.20 121.39 2r8n s ILE 72 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2r8n s ILE 72 Cb -0.03 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2r8n s ILE 72 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2r8n n GLY 73 N 3.43 -1.24 3.74 6.18 0.00 -0.34 -4.89 105.19 112.06 2r8n n GLY 73 Ca -0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2r8n n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r8n s THR 74 N -2.98 4.08 -0.12 2.61 2.01 -1.26 -0.81 115.64 119.18 2r8n s THR 74 Ca 0.00 1.80 0.03 0.00 0.31 0.00 0.00 61.69 63.83 2r8n s THR 74 Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.37 2r8n s THR 74 CO 0.00 0.31 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.34 2r8n s VAL 75 N -0.25 1.90 -0.14 3.82 1.01 -0.01 -4.47 120.40 122.25 2r8n s VAL 75 Ca 0.48 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2r8n s VAL 75 Cb -0.27 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2r8n s VAL 75 CO 0.33 0.52 0.34 -0.76 0.00 0.00 0.00 175.10 175.53 2r8n s LEU 76 N 0.71 4.26 -0.19 3.92 1.43 0.02 -1.38 118.68 127.45 2r8n s LEU 76 Ca -0.11 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2r8n s LEU 76 Cb -0.16 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2r8n s LEU 76 CO 0.01 0.09 -0.06 -0.69 0.23 0.00 0.00 176.35 175.93 2r8n s VAL 77 N 0.43 3.38 -1.40 -1.59 1.01 0.12 -1.00 120.40 121.35 2r8n s VAL 77 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2r8n s VAL 77 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2r8n s VAL 77 CO 0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2r8n n GLY 78 N 4.33 -1.59 3.74 4.51 0.00 -0.95 -1.13 105.19 114.10 2r8n n GLY 78 Ca -0.18 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2r8n n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2r8n s PRO 79 N -1.91 4.27 -0.20 1.61 0.02 -1.26 -3.61 135.00 133.92 2r8n s PRO 79 Ca 0.00 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.14 2r8n s PRO 79 Cb 0.00 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 31.44 2r8n s PRO 79 CO 0.00 -0.44 0.52 -0.08 -0.33 0.00 0.00 177.00 176.67 2r8n s THR 80 N 0.33 -0.01 0.48 0.99 -1.32 -1.26 -4.98 115.64 109.87 2r8n s THR 80 Ca 0.62 0.03 0.14 0.00 -1.21 0.00 0.00 61.69 61.26 2r8n s THR 80 Cb -0.41 -0.75 0.25 0.00 -1.51 0.00 0.00 72.50 70.08 2r8n s THR 80 CO 0.39 0.01 2.10 -0.65 -2.21 0.00 0.00 174.62 174.27 2r8n h PRO 81 N 6.18 0.10 -3.84 7.08 0.11 -1.99 -3.42 132.00 136.22 2r8n h PRO 81 Ca -0.31 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.53 2r8n h PRO 81 Cb 1.19 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 31.99 2r8n h PRO 81 CO 0.21 0.10 -0.73 0.54 -0.21 0.00 0.00 178.00 177.91 2r8n s VAL 82 N -5.07 0.09 0.24 3.15 0.11 -1.26 -5.13 120.40 112.54 2r8n s VAL 82 Ca -0.05 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 2r8n s VAL 82 Cb 0.17 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.82 2r8n s VAL 82 CO 0.69 0.04 1.25 0.20 -3.33 0.00 0.00 175.10 173.95 2r8n s ASN 83 N 0.10 6.97 -0.12 3.54 0.01 -1.26 -4.94 114.94 119.23 2r8n s ASN 83 Ca -0.01 2.42 0.03 0.00 -0.71 0.00 0.00 52.86 54.60 2r8n s ASN 83 Cb -0.02 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2r8n s ASN 83 CO -0.00 -0.43 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.30 2r8n s ILE 84 N -0.47 2.14 -0.47 0.60 -1.09 0.05 -0.55 121.20 121.40 2r8n s ILE 84 Ca 0.52 -0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 57.81 2r8n s ILE 84 Cb -0.36 -1.84 0.07 0.00 -1.58 0.00 0.00 42.46 38.75 2r8n s ILE 84 CO 0.42 0.55 0.42 -0.63 -1.23 0.00 0.00 174.94 174.47 2r8n s ILE 85 N 0.56 5.19 0.56 2.92 -1.09 0.17 -1.40 121.20 128.11 2r8n s ILE 85 Ca -0.13 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 57.33 2r8n s ILE 85 Cb -0.17 -4.14 0.11 0.00 -1.58 0.00 0.00 42.46 36.68 2r8n s ILE 85 CO 0.04 -0.60 0.77 0.61 -1.23 0.00 0.00 174.94 174.53 2r8n n GLY 86 N 5.20 1.01 0.27 6.18 0.00 -1.17 -1.04 105.19 115.64 2r8n n GLY 86 Ca -0.12 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.90 2r8n n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r8n h ARG 87 N 0.00 0.15 -0.62 1.61 3.08 -0.75 -0.64 114.38 117.21 2r8n h ARG 87 Ca -0.25 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.82 2r8n h ARG 87 Cb 0.99 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 2r8n h ARG 87 CO 0.29 0.11 0.41 -2.95 -1.07 0.00 0.00 179.97 176.77 2r8n h ASN 88 N 0.16 0.63 0.31 7.04 -1.07 -1.71 -0.38 115.58 120.56 2r8n h ASN 88 Ca 0.04 -0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.07 2r8n h ASN 88 Cb -0.00 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.08 2r8n h ASN 88 CO -0.01 0.44 -1.77 0.24 0.07 0.00 0.00 177.43 176.40 2r8n h MET 89 N 0.73 0.21 -0.72 4.14 2.86 -1.60 -3.31 114.93 117.25 2r8n h MET 89 Ca 0.25 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2r8n h MET 89 Cb 0.09 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2r8n h MET 89 CO -0.07 1.03 0.48 -0.07 1.06 0.00 0.00 176.91 179.34 2r8n h LEU 90 N 0.06 0.82 -0.68 1.22 3.38 -0.87 -1.22 115.31 118.02 2r8n h LEU 90 Ca -0.33 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2r8n h LEU 90 Cb 2.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 2r8n h LEU 90 CO 0.12 0.59 0.08 0.71 0.09 0.00 0.00 178.44 180.03 2r8n h THR 91 N 0.97 1.26 -0.05 0.22 1.35 -1.23 -1.21 112.91 114.23 2r8n h THR 91 Ca 0.27 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 2r8n h THR 91 Cb -0.09 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 2r8n h THR 91 CO -0.06 0.40 -0.25 1.56 -0.25 0.00 0.00 175.52 176.92 2r8n h GLN 92 N 1.02 0.08 0.00 4.72 1.08 -1.44 -1.52 115.11 119.06 2r8n h GLN 92 Ca 0.20 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2r8n h GLN 92 Cb 0.47 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2r8n h GLN 92 CO 0.02 0.33 0.00 1.28 -0.95 0.00 0.00 178.83 179.50 2r8n n LEU 93 N -4.21 0.00 -0.86 1.46 4.77 -0.54 -4.83 117.00 112.78 2r8n n LEU 93 Ca -0.02 0.49 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2r8n n LEU 93 Cb 0.32 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2r8n n LEU 93 CO 0.38 -0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 176.90 2r8n n GLY 94 N 1.12 0.08 3.73 -0.72 0.00 -0.57 -5.00 105.19 103.82 2r8n n GLY 94 Ca 0.07 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2r8n n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8n s THR 96 N 0.50 1.95 -0.05 0.00 -4.23 -1.26 -4.66 115.64 107.88 2r8n s THR 96 Ca 0.39 -2.27 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 2r8n s THR 96 Cb -0.19 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 2r8n s THR 96 CO 0.21 -0.54 0.41 -0.76 -0.54 0.00 0.00 174.62 173.41 2r8n s LEU 97 N -3.37 4.39 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.53 2r8n s LEU 97 Ca 0.25 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2r8n s LEU 97 Cb -0.02 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.63 2r8n s LEU 97 CO 0.09 0.21 -0.04 0.20 0.23 0.00 0.00 176.35 177.05 2r8n s ASN 98 N -0.43 0.75 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.13 2r8n s ASN 98 Ca 0.23 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 2r8n s ASN 98 Cb -0.16 -0.34 0.00 0.00 -0.02 0.00 0.00 41.25 40.73 2r8n s ASN 98 CO 0.11 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.82