#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odg n THR 2 N 0.00 0.00 -2.20 2.03 -2.24 -1.26 -4.85 114.28 105.75 2odg n THR 2 Ca 0.00 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2odg n THR 2 Cb 0.00 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 2odg n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2odg s THR 3 N 4.62 3.54 0.86 4.28 -4.23 -1.26 -5.01 115.64 118.44 2odg s THR 3 Ca 0.10 0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 61.35 2odg s THR 3 Cb 0.02 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.63 2odg s THR 3 CO 0.05 -0.31 1.09 -0.55 -0.54 0.00 0.00 174.62 174.37 2odg s SER 4 N -2.24 3.86 0.65 3.99 0.15 -1.26 -4.84 113.70 114.01 2odg s SER 4 Ca 0.68 1.47 0.27 0.00 0.70 0.00 0.00 55.95 59.07 2odg s SER 4 Cb -0.19 -2.17 1.45 0.00 -1.71 0.00 0.00 66.02 63.40 2odg s SER 4 CO 0.30 -2.39 1.82 1.56 1.20 0.00 0.00 173.24 175.73 2odg h GLN 5 N -1.38 0.00 -0.66 5.44 4.20 -2.01 0.03 115.11 120.73 2odg h GLN 5 Ca -0.48 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 2odg h GLN 5 Cb 1.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 2odg h GLN 5 CO 0.56 0.00 0.34 0.87 -0.67 0.00 0.00 178.83 179.92 2odg h LYS 6 N 0.00 0.92 0.01 1.46 1.57 -1.95 0.10 116.57 118.68 2odg h LYS 6 Ca 0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2odg h LYS 6 Cb 0.89 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2odg h LYS 6 CO -0.00 0.69 -0.00 1.25 -0.57 0.00 0.00 179.45 180.82 2odg h HIS 7 N 0.92 -0.01 -0.26 -1.35 2.76 -1.31 0.43 115.15 116.34 2odg h HIS 7 Ca 0.23 -0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.26 2odg h HIS 7 Cb 0.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2odg h HIS 7 CO 0.01 -0.01 -0.44 0.00 -1.30 0.00 0.00 177.93 176.19 2odg h ARG 8 N -0.01 0.64 -0.35 5.26 3.08 -1.63 -2.53 114.38 118.84 2odg h ARG 8 Ca -0.00 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 2odg h ARG 8 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2odg h ARG 8 CO -0.00 0.95 -0.29 -0.44 -1.07 0.00 0.00 179.97 179.12 2odg h ASP 9 N 0.52 0.76 -0.03 7.04 3.32 -0.54 -1.12 116.42 126.37 2odg h ASP 9 Ca 0.04 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2odg h ASP 9 Cb 0.97 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2odg h ASP 9 CO 0.09 1.00 0.01 0.15 -1.72 0.00 0.00 179.24 178.77 2odg h PHE 10 N 0.63 0.05 -0.11 4.55 3.57 -0.01 -2.61 116.94 123.02 2odg h PHE 10 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2odg h PHE 10 Cb 0.80 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2odg h PHE 10 CO 0.04 0.27 0.00 1.33 -2.23 0.00 0.00 178.31 177.72 2odg n VAL 11 N -4.95 0.15 0.51 1.41 0.24 -0.96 -3.35 118.33 111.37 2odg n VAL 11 Ca -0.07 -0.16 0.08 0.00 -2.04 0.00 0.00 64.34 62.15 2odg n VAL 11 Cb 0.14 0.05 -0.11 0.00 -1.47 0.00 0.00 33.84 32.46 2odg n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2odg n ALA 12 N -0.20 3.63 -3.32 2.33 0.00 -0.43 -4.95 120.51 117.57 2odg n ALA 12 Ca 0.06 -0.44 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 2odg n ALA 12 Cb 0.12 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 2odg n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2odg s GLU 13 N -2.77 0.92 1.00 0.00 -1.05 -1.13 -5.06 118.70 110.61 2odg s GLU 13 Ca 0.02 -0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.56 2odg s GLU 13 Cb 0.12 0.42 -0.15 0.00 -0.44 0.00 0.00 34.13 34.08 2odg s GLU 13 CO 0.69 -0.30 -0.81 -2.30 0.95 0.00 0.00 175.26 173.49 2odg n PRO 14 N 0.81 0.00 0.01 -4.83 -0.02 -1.26 -4.76 135.00 124.95 2odg n PRO 14 Ca -0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.24 2odg n PRO 14 Cb 0.58 -1.00 -0.11 0.00 -0.02 0.00 0.00 33.50 32.95 2odg n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2odg h MET 15 N -1.00 0.00 0.00 -0.52 -0.00 -1.97 -3.49 114.93 107.95 2odg h MET 15 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2odg h MET 15 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 2odg h MET 15 CO 0.23 0.44 0.00 0.41 -0.00 0.00 0.00 176.91 177.99 2odg n GLY 16 N 1.46 2.57 1.80 -3.00 0.00 -1.26 -2.59 105.19 104.17 2odg n GLY 16 Ca -0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2odg n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2odg n GLU 17 N 12.51 2.37 -1.73 1.61 1.02 -1.26 -4.76 120.64 130.39 2odg n GLU 17 Ca 0.00 -3.32 -0.37 0.00 -0.02 0.00 0.00 57.16 53.45 2odg n GLU 17 Cb 0.00 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.41 2odg n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2odg n LYS 18 N -1.03 1.28 -1.66 3.49 5.02 -1.07 -4.83 118.16 119.36 2odg n LYS 18 Ca 0.48 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.90 2odg n LYS 18 Cb 1.10 -2.55 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 2odg n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2odg s PRO 19 N -3.24 2.46 0.25 1.97 0.04 -1.26 -2.48 135.00 132.74 2odg s PRO 19 Ca 0.80 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 2odg s PRO 19 Cb -0.39 -1.86 0.44 0.00 0.04 0.00 0.00 34.50 32.72 2odg s PRO 19 CO 0.43 -1.60 1.78 -0.24 0.04 0.00 0.00 177.00 177.40 2odg h VAL 20 N 0.21 0.81 0.00 -0.36 3.04 -1.79 0.20 116.25 118.37 2odg h VAL 20 Ca -0.49 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2odg h VAL 20 Cb 1.30 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2odg h VAL 20 CO 0.52 0.12 0.02 0.61 -1.01 0.00 0.00 177.57 177.83 2odg n GLY 21 N -1.32 -0.17 0.15 3.17 0.00 -1.26 -0.94 105.19 104.82 2odg n GLY 21 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2odg n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2odg h SER 22 N 0.00 0.00 -3.75 1.61 0.87 -0.85 -3.44 113.55 107.99 2odg h SER 22 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2odg h SER 22 Cb 0.05 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2odg h SER 22 CO 0.00 0.26 0.73 -0.76 -0.53 0.00 0.00 176.83 176.53 2odg s LEU 23 N -6.02 4.38 0.24 2.23 1.43 -0.12 -4.92 118.68 115.90 2odg s LEU 23 Ca 0.03 2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 2odg s LEU 23 Cb 0.07 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2odg s LEU 23 CO 0.75 -0.71 1.47 0.00 0.23 0.00 0.00 176.35 178.09 2odg s ALA 24 N -0.79 3.66 0.00 4.21 0.00 -1.26 -1.92 121.76 125.65 2odg s ALA 24 Ca 0.54 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2odg s ALA 24 Cb -0.43 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2odg s ALA 24 CO 0.54 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2odg n GLY 25 N 2.39 3.40 3.50 0.00 0.00 -1.26 -3.14 105.19 110.08 2odg n GLY 25 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2odg n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2odg s ILE 26 N -2.76 5.20 0.75 -0.61 -1.09 -0.81 -4.80 121.20 117.08 2odg s ILE 26 Ca 0.00 -0.33 -0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2odg s ILE 26 Cb 0.00 -3.89 0.13 0.00 -1.58 0.00 0.00 42.46 37.12 2odg s ILE 26 CO 0.00 -0.23 1.03 -0.83 -1.23 0.00 0.00 174.94 173.69 2odg s GLY 27 N 1.73 1.76 0.26 6.18 0.00 -1.26 -4.64 107.32 111.36 2odg s GLY 27 Ca 0.08 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 2odg s GLY 27 CO 0.11 -1.04 1.91 0.83 0.00 0.00 0.00 173.10 174.92 2odg h GLU 28 N -0.67 1.23 -0.23 2.90 5.08 -1.98 0.50 114.58 121.41 2odg h GLU 28 Ca -0.38 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2odg h GLU 28 Cb 1.26 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2odg h GLU 28 CO 0.41 0.81 0.04 0.28 -1.00 0.00 0.00 179.01 179.55 2odg h VAL 29 N 1.27 1.23 -0.50 3.13 2.07 -2.00 -2.08 116.25 119.36 2odg h VAL 29 Ca 0.40 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 2odg h VAL 29 Cb 0.01 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2odg h VAL 29 CO -0.13 0.24 -0.19 -0.07 0.02 0.00 0.00 177.57 177.45 2odg h LEU 30 N 0.18 1.02 -1.61 2.57 3.38 -1.78 -2.58 115.31 116.48 2odg h LEU 30 Ca 0.07 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2odg h LEU 30 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2odg h LEU 30 CO 0.00 1.17 0.29 1.23 0.09 0.00 0.00 178.44 181.23 2odg h GLY 31 N 0.90 0.56 1.08 0.83 0.00 0.10 -1.75 103.07 104.78 2odg h GLY 31 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 2odg h GLY 31 CO 0.06 0.18 -0.09 1.70 0.00 0.00 0.00 176.54 178.40 2odg h LYS 32 N 0.51 1.01 -0.26 4.80 3.64 -0.98 -0.30 116.57 125.00 2odg h LYS 32 Ca 0.17 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2odg h LYS 32 Cb 0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2odg h LYS 32 CO -0.04 1.05 -0.13 0.87 -2.27 0.00 0.00 179.45 178.93 2odg h LYS 33 N 0.89 0.54 -0.80 1.90 1.57 -1.17 -0.80 116.57 118.70 2odg h LYS 33 Ca 0.14 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2odg h LYS 33 Cb 0.65 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2odg h LYS 33 CO 0.04 0.80 0.37 -0.07 -0.57 0.00 0.00 179.45 180.02 2odg h LEU 34 N 0.27 1.05 -0.79 2.94 3.38 -1.36 -1.73 115.31 119.08 2odg h LEU 34 Ca 0.06 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2odg h LEU 34 Cb 0.64 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2odg h LEU 34 CO 0.04 0.90 0.52 -0.08 0.09 0.00 0.00 178.44 179.91 2odg h GLU 35 N 1.14 1.04 0.00 1.13 4.81 -0.74 0.14 114.58 122.11 2odg h GLU 35 Ca 0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2odg h GLU 35 Cb 0.13 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2odg h GLU 35 CO -0.03 0.69 0.00 0.93 -0.73 0.00 0.00 179.01 179.86 2odg h GLU 36 N 1.07 0.00 -0.13 1.92 5.08 -0.51 -1.61 114.58 120.40 2odg h GLU 36 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2odg h GLU 36 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2odg h GLU 36 CO -0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 2odg n ARG 37 N -2.88 1.72 0.00 2.33 5.12 0.37 -4.88 116.66 118.43 2odg n ARG 37 Ca 0.00 -1.07 0.00 0.00 -1.93 0.00 0.00 57.85 54.86 2odg n ARG 37 Cb 0.24 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 2odg n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2odg n GLY 38 N 1.14 0.90 2.98 -0.13 0.00 -0.60 -5.02 105.19 104.46 2odg n GLY 38 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2odg n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2odg n PHE 39 N -1.89 3.53 1.00 1.61 3.01 -0.45 -4.81 117.46 119.44 2odg n PHE 39 Ca 0.00 -3.49 0.14 0.00 1.01 0.00 0.00 57.45 55.11 2odg n PHE 39 Cb 0.00 -1.17 0.61 0.00 -0.01 0.00 0.00 39.48 38.91 2odg n PHE 39 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2odg n ASP 40 N 1.70 0.02 -4.22 4.37 5.75 -1.26 -3.55 116.55 119.35 2odg n ASP 40 Ca 0.25 0.48 -0.19 0.00 -0.01 0.00 0.00 54.79 55.33 2odg n ASP 40 Cb 0.36 -0.48 -0.12 0.00 -1.03 0.00 0.00 41.12 39.86 2odg n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2odg s LYS 41 N -3.00 0.96 0.20 0.11 -0.14 -1.26 -3.96 119.74 112.64 2odg s LYS 41 Ca 0.14 -1.13 -0.08 0.00 -1.36 0.00 0.00 55.97 53.54 2odg s LYS 41 Cb 0.19 -0.94 0.11 0.00 -1.68 0.00 0.00 37.83 35.51 2odg s LYS 41 CO 0.53 0.20 1.71 0.00 -0.76 0.00 0.00 175.35 177.03 2odg h ALA 42 N 3.87 0.93 0.00 5.17 0.00 -1.66 -2.58 119.26 125.00 2odg h ALA 42 Ca -0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2odg h ALA 42 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2odg h ALA 42 CO 0.45 0.67 0.00 0.10 0.00 0.00 0.00 179.25 180.48 2odg h TYR 43 N 1.07 0.00 0.05 0.00 -0.00 -1.86 0.11 116.97 116.35 2odg h TYR 43 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.71 2odg h TYR 43 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.12 2odg h TYR 43 CO 0.03 0.00 -1.07 0.28 -0.00 0.00 0.00 178.16 177.41 2odg h VAL 44 N 0.00 1.57 -0.00 -0.90 2.07 -1.86 -2.82 116.25 114.31 2odg h VAL 44 Ca 0.00 -3.07 -0.27 0.00 0.82 0.00 0.00 66.70 64.19 2odg h VAL 44 Cb 0.03 2.79 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2odg h VAL 44 CO 0.00 0.89 -1.04 0.58 0.02 0.00 0.00 177.57 178.02 2odg h VAL 45 N 0.06 1.28 -0.53 2.57 2.07 -0.90 -2.94 116.25 117.86 2odg h VAL 45 Ca -0.07 -2.25 0.01 0.00 0.82 0.00 0.00 66.70 65.21 2odg h VAL 45 Cb 1.78 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 33.90 2odg h VAL 45 CO 0.16 0.70 0.35 0.25 0.02 0.00 0.00 177.57 179.05 2odg h LEU 46 N 0.40 0.60 -0.94 2.57 5.85 -1.14 -0.80 115.31 121.84 2odg h LEU 46 Ca -0.13 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2odg h LEU 46 Cb 1.69 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 2odg h LEU 46 CO 0.20 0.43 0.61 1.23 -0.34 0.00 0.00 178.44 180.58 2odg h GLY 47 N 0.70 1.36 1.00 3.75 0.00 -1.32 -1.39 103.07 107.16 2odg h GLY 47 Ca 0.20 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2odg h GLY 47 CO -0.04 0.41 0.50 -1.61 0.00 0.00 0.00 176.54 175.80 2odg h GLN 48 N 1.20 1.00 -1.00 4.80 5.75 -1.03 -0.11 115.11 125.71 2odg h GLN 48 Ca 0.37 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.82 2odg h GLN 48 Cb -0.03 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.25 2odg h GLN 48 CO -0.11 0.66 0.66 0.35 -2.65 0.00 0.00 178.83 177.74 2odg h PHE 49 N 1.03 1.27 -0.32 3.99 3.57 -1.05 -1.47 116.94 123.96 2odg h PHE 49 Ca 0.28 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 2odg h PHE 49 Cb -0.11 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.19 2odg h PHE 49 CO -0.02 0.80 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.41 2odg h LEU 50 N 1.36 0.79 -1.45 0.59 3.38 -0.50 -2.79 115.31 116.70 2odg h LEU 50 Ca 0.37 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2odg h LEU 50 Cb -0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2odg h LEU 50 CO -0.08 1.08 -0.28 0.58 0.09 0.00 0.00 178.44 179.83 2odg h VAL 51 N 0.62 1.06 -0.25 1.22 2.07 -0.35 -2.36 116.25 118.26 2odg h VAL 51 Ca 0.05 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2odg h VAL 51 Cb 0.92 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2odg h VAL 51 CO 0.08 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.13 2odg n LEU 52 N -4.01 1.87 -3.91 2.57 4.77 -0.62 -4.89 117.00 112.79 2odg n LEU 52 Ca -0.02 -0.94 -0.31 0.00 -0.03 0.00 0.00 56.01 54.71 2odg n LEU 52 Cb 0.34 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2odg n LEU 52 CO 0.36 0.37 0.03 0.29 -1.33 0.00 0.00 177.39 177.11 2odg n LYS 53 N 0.27 -4.13 -1.48 3.23 5.02 -0.89 0.28 118.16 120.47 2odg n LYS 53 Ca 0.09 0.49 -0.17 0.00 -2.02 0.00 0.00 58.31 56.70 2odg n LYS 53 Cb 0.35 -5.28 -0.07 0.00 -0.02 0.00 0.00 35.03 30.01 2odg n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2odg n LYS 54 N -4.35 -1.42 -1.89 1.97 5.02 -1.12 -4.85 118.16 111.52 2odg n LYS 54 Ca 0.05 1.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.93 2odg n LYS 54 Cb 0.51 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.16 2odg n LYS 54 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2odg s ASP 55 N -2.46 5.52 0.25 4.39 -1.08 0.14 -4.81 116.67 118.63 2odg s ASP 55 Ca 0.00 1.17 -0.06 0.00 -0.52 0.00 0.00 52.55 53.14 2odg s ASP 55 Cb 0.00 -2.52 0.25 0.00 -1.46 0.00 0.00 42.92 39.19 2odg s ASP 55 CO 0.00 -2.02 1.93 -0.08 0.52 0.00 0.00 175.17 175.51 2odg h GLU 56 N 14.43 1.31 -0.39 4.34 4.81 -1.88 0.22 114.58 137.41 2odg h GLU 56 Ca -0.32 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.67 2odg h GLU 56 Cb 1.19 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2odg h GLU 56 CO 1.07 0.87 -0.37 -0.44 -0.73 0.00 0.00 179.01 179.41 2odg h ASP 57 N 1.35 1.01 -0.34 1.04 3.32 -1.99 -0.63 116.42 120.19 2odg h ASP 57 Ca 0.36 -0.46 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 2odg h ASP 57 Cb -0.15 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.11 2odg h ASP 57 CO -0.08 1.26 -0.48 -0.07 -1.72 0.00 0.00 179.24 178.16 2odg h LEU 58 N 0.78 1.00 -0.01 1.55 3.38 -1.86 -1.90 115.31 118.25 2odg h LEU 58 Ca 0.06 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2odg h LEU 58 Cb 0.97 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2odg h LEU 58 CO 0.09 1.31 0.00 0.15 0.09 0.00 0.00 178.44 180.08 2odg h PHE 59 N 0.72 0.01 -0.72 1.13 3.57 -0.48 0.12 116.94 121.29 2odg h PHE 59 Ca 0.04 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2odg h PHE 59 Cb 1.08 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 2odg h PHE 59 CO 0.07 0.15 0.28 0.00 -2.23 0.00 0.00 178.31 176.58 2odg h ARG 60 N -0.13 1.07 -0.67 1.11 3.08 -1.12 0.27 114.38 117.99 2odg h ARG 60 Ca 0.00 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 2odg h ARG 60 Cb 0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2odg h ARG 60 CO -0.00 0.88 0.09 0.93 -1.07 0.00 0.00 179.97 180.81 2odg h GLU 61 N 1.03 1.11 -0.00 0.04 5.08 -1.20 -0.37 114.58 120.27 2odg h GLU 61 Ca 0.24 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2odg h GLU 61 Cb 0.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2odg h GLU 61 CO -0.02 1.02 0.00 2.35 -1.00 0.00 0.00 179.01 181.37 2odg h TRP 62 N 1.03 0.00 -0.27 4.33 7.01 -0.18 0.31 115.95 128.18 2odg h TRP 62 Ca 0.20 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2odg h TRP 62 Cb 0.46 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2odg h TRP 62 CO 0.03 0.23 0.06 1.25 -2.79 0.00 0.00 178.44 177.22 2odg h LEU 63 N -0.22 0.42 -0.02 0.65 5.85 -0.90 0.39 115.31 121.48 2odg h LEU 63 Ca 0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2odg h LEU 63 Cb 0.23 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2odg h LEU 63 CO 0.00 0.56 0.01 0.11 -0.34 0.00 0.00 178.44 178.77 2odg h LYS 64 N 0.26 0.03 -0.03 1.25 1.57 -1.04 0.58 116.57 119.19 2odg h LYS 64 Ca 0.08 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2odg h LYS 64 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2odg h LYS 64 CO 0.00 0.18 -0.32 0.22 -0.57 0.00 0.00 179.45 178.97 2odg h ASP 65 N -0.13 0.06 0.33 0.86 3.58 -0.30 1.01 116.42 121.83 2odg h ASP 65 Ca 0.01 -0.02 -0.28 0.00 0.42 0.00 0.00 57.03 57.15 2odg h ASP 65 Cb 0.17 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.22 2odg h ASP 65 CO -0.00 0.38 -1.22 0.74 -2.88 0.00 0.00 179.24 176.26 2odg h THR 66 N 0.06 1.37 0.00 2.25 2.02 0.09 -3.42 112.91 115.28 2odg h THR 66 Ca 0.01 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 2odg h THR 66 Cb 0.59 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2odg h THR 66 CO 0.04 0.79 -0.64 0.00 0.37 0.00 0.00 175.52 176.09 2odg n GLY 68 N 1.94 1.13 3.43 0.00 0.00 0.35 -5.02 105.19 107.02 2odg n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2odg n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2odg n ALA 69 N -1.63 -1.94 -2.09 4.61 0.00 -1.25 -4.94 120.51 113.27 2odg n ALA 69 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.84 2odg n ALA 69 Cb 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 19.45 17.67 2odg n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2odg s ASN 70 N -1.59 5.46 0.46 0.00 -0.87 -1.26 -4.60 114.94 112.54 2odg s ASN 70 Ca 0.62 0.47 0.18 0.00 -1.57 0.00 0.00 52.86 52.56 2odg s ASN 70 Cb -0.31 -1.44 1.14 0.00 -0.02 0.00 0.00 41.25 40.62 2odg s ASN 70 CO 0.61 -1.09 1.96 0.00 -2.57 0.00 0.00 177.10 176.01 2odg h ALA 71 N -0.09 2.19 -0.04 0.60 0.00 -1.98 -2.13 119.26 117.81 2odg h ALA 71 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2odg h ALA 71 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2odg h ALA 71 CO 0.59 -0.36 -0.04 -0.22 0.00 0.00 0.00 179.25 179.22 2odg h LYS 72 N 0.30 0.10 0.00 0.00 3.64 -2.01 -3.00 116.57 115.60 2odg h LYS 72 Ca 0.31 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2odg h LYS 72 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2odg h LYS 72 CO -0.08 0.57 -0.39 1.96 -2.27 0.00 0.00 179.45 179.24 2odg h GLN 73 N -0.37 0.00 -0.17 1.90 4.20 -1.75 -2.64 115.11 116.27 2odg h GLN 73 Ca 0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2odg h GLN 73 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2odg h GLN 73 CO 0.01 0.39 -0.46 0.66 -0.67 0.00 0.00 178.83 178.76 2odg h SER 74 N 0.00 0.47 -0.88 1.46 4.64 -1.44 -2.85 113.55 114.95 2odg h SER 74 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2odg h SER 74 Cb 0.70 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 2odg h SER 74 CO 0.05 0.87 0.56 0.03 -0.87 0.00 0.00 176.83 177.47 2odg h ARG 75 N 0.35 1.17 -0.50 4.77 3.08 -1.32 -0.22 114.38 121.71 2odg h ARG 75 Ca 0.02 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2odg h ARG 75 Cb 0.95 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2odg h ARG 75 CO 0.08 0.79 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.22 2odg h ASP 76 N 1.20 0.92 -0.38 7.04 3.32 -1.47 -2.35 116.42 124.70 2odg h ASP 76 Ca 0.32 -0.30 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 2odg h ASP 76 Cb -0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 2odg h ASP 76 CO -0.07 1.04 -0.40 0.00 -1.72 0.00 0.00 179.24 178.10 2odg h PHE 78 N 0.76 -1.13 -0.30 0.00 3.57 -0.86 0.46 116.94 119.44 2odg h PHE 78 Ca 0.06 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2odg h PHE 78 Cb 1.00 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 2odg h PHE 78 CO 0.06 -0.70 -0.01 0.78 -2.23 0.00 0.00 178.31 176.22 2odg h GLY 79 N -1.20 0.50 0.63 2.40 0.00 -1.50 0.51 103.07 104.41 2odg h GLY 79 Ca -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2odg h GLY 79 CO 0.19 0.27 -0.06 0.00 0.00 0.00 0.00 176.54 176.94 2odg h LEU 81 N -0.26 1.00 -0.65 0.00 3.38 0.11 -2.42 115.31 116.48 2odg h LEU 81 Ca 0.01 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2odg h LEU 81 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2odg h LEU 81 CO 0.01 1.28 0.07 -0.09 0.09 0.00 0.00 178.44 179.81 2odg h ARG 82 N 0.75 1.10 -0.20 1.13 2.43 0.06 -2.24 114.38 117.41 2odg h ARG 82 Ca 0.05 -0.32 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 2odg h ARG 82 Cb 1.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2odg h ARG 82 CO 0.10 1.03 -0.45 0.93 -1.51 0.00 0.00 179.97 180.07 2odg h GLU 83 N 1.02 0.51 -0.63 0.20 5.08 -0.66 -1.49 114.58 118.61 2odg h GLU 83 Ca 0.19 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2odg h GLU 83 Cb 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2odg h GLU 83 CO 0.02 0.86 0.42 2.35 -1.00 0.00 0.00 179.01 181.66 2odg h TRP 84 N 0.41 0.80 -0.90 4.33 7.01 -1.21 -1.64 115.95 124.74 2odg h TRP 84 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2odg h TRP 84 Cb 0.96 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 2odg h TRP 84 CO 0.04 0.50 0.51 0.00 -2.79 0.00 0.00 178.44 176.69 2odg h ASP 86 N 1.26 0.51 0.28 0.00 3.32 -0.35 2.41 116.42 123.85 2odg h ASP 86 Ca 0.32 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 2odg h ASP 86 Cb 0.01 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 2odg h ASP 86 CO -0.05 0.37 -1.97 0.00 -1.72 0.00 0.00 179.24 175.87 2odg n ALA 87 N -2.47 1.41 0.48 3.45 0.00 -0.79 -4.45 120.51 118.14 2odg n ALA 87 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 53.44 52.62 2odg n ALA 87 Cb 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 18.91 2odg n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2odg n PHE 88 N -3.04 0.00 -0.98 0.00 3.72 0.24 -5.11 117.46 112.29 2odg n PHE 88 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2odg n PHE 88 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 2odg n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60