#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 s TRP 10 N 0.00 0.13 0.00 -1.42 1.48 -1.24 -3.84 118.94 114.05 1c07 s TRP 10 Ca 0.00 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.58 1c07 s TRP 10 Cb 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.24 1c07 s TRP 10 CO 0.00 -0.46 0.00 1.33 -4.06 0.00 0.00 176.95 173.76 1c07 n VAL 11 N 0.38 0.00 -3.86 -0.66 0.24 0.71 -4.68 118.33 110.45 1c07 n VAL 11 Ca -0.17 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.82 1c07 n VAL 11 Cb 0.60 -1.43 0.01 0.00 -1.47 0.00 0.00 33.84 31.56 1c07 n VAL 11 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1c07 n VAL 12 N 0.00 -2.05 -0.11 3.34 3.14 -1.26 -4.87 118.33 116.52 1c07 n VAL 12 Ca 0.00 -0.32 -0.16 0.00 -2.96 0.00 0.00 64.34 60.90 1c07 n VAL 12 Cb 0.00 -1.77 -0.11 0.00 -1.06 0.00 0.00 33.84 30.90 1c07 n VAL 12 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1c07 n SER 13 N -1.47 2.16 -3.05 6.55 2.88 -1.26 -4.01 113.62 115.42 1c07 n SER 13 Ca -0.13 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1c07 n SER 13 Cb 0.44 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1c07 n PRO 14 N -3.15 2.66 -0.15 -1.46 -0.04 -1.26 -4.39 135.00 127.21 1c07 n PRO 14 Ca -0.40 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1c07 n PRO 14 Cb 0.94 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.42 1c07 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c07 n ALA 15 N -3.00 -0.01 -0.40 0.55 0.00 -1.26 0.02 120.51 116.41 1c07 n ALA 15 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1c07 n ALA 15 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 1c07 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1c07 n GLU 16 N -4.59 -0.38 -0.30 0.00 1.02 -1.26 0.15 120.64 115.28 1c07 n GLU 16 Ca 0.05 1.48 0.10 0.00 -0.02 0.00 0.00 57.16 58.76 1c07 n GLU 16 Cb 0.17 -2.18 0.32 0.00 -0.02 0.00 0.00 31.44 29.72 1c07 n GLU 16 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1c07 h LYS 17 N 0.00 0.80 -0.17 3.49 3.11 -0.54 -0.35 116.57 122.91 1c07 h LYS 17 Ca 0.20 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1c07 h LYS 17 Cb 0.45 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1c07 h LYS 17 CO -0.93 0.53 -0.01 0.00 -2.81 0.00 0.00 179.45 176.23 1c07 h ALA 18 N 1.57 0.23 0.00 5.00 0.00 0.15 0.83 119.26 127.05 1c07 h ALA 18 Ca 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1c07 h ALA 18 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1c07 h ALA 18 CO -0.22 -0.04 -0.11 -0.22 0.00 0.00 0.00 179.25 178.65 1c07 h LYS 19 N 0.05 0.00 0.15 0.00 3.11 0.48 -2.45 116.57 117.91 1c07 h LYS 19 Ca 0.05 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.55 1c07 h LYS 19 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1c07 h LYS 19 CO 0.01 0.11 -1.72 1.88 -2.81 0.00 0.00 179.45 176.93 1c07 h TYR 20 N 0.00 0.58 -1.00 1.91 0.05 -0.76 -3.15 116.97 114.61 1c07 h TYR 20 Ca -0.00 -0.42 0.14 0.00 0.05 0.00 0.00 58.73 58.50 1c07 h TYR 20 Cb 0.21 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 37.84 1c07 h TYR 20 CO 0.00 1.58 0.62 0.22 -1.05 0.00 0.00 178.16 179.53 1c07 h ASP 21 N 0.09 0.86 -0.34 3.88 3.58 0.11 0.89 116.42 125.49 1c07 h ASP 21 Ca -0.32 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.06 1c07 h ASP 21 Cb 2.07 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 43.00 1c07 h ASP 21 CO 0.16 0.41 -0.29 -0.33 -2.88 0.00 0.00 179.24 176.31 1c07 h GLU 22 N 0.90 0.80 -0.59 0.28 4.39 -1.55 -3.05 114.58 115.76 1c07 h GLU 22 Ca 0.52 -0.40 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1c07 h GLU 22 Cb 0.64 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1c07 h GLU 22 CO -0.30 1.03 -0.03 0.82 -1.16 0.00 0.00 179.01 179.38 1c07 h ILE 23 N 0.58 1.27 -1.05 3.13 2.04 -0.88 -2.46 117.51 120.14 1c07 h ILE 23 Ca 0.06 -1.19 0.27 0.00 1.00 0.00 0.00 64.86 65.01 1c07 h ILE 23 Cb 0.86 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 1c07 h ILE 23 CO 0.07 0.43 0.67 0.15 0.00 0.00 0.00 178.15 179.47 1c07 h PHE 24 N 0.95 0.70 0.00 1.37 3.57 0.80 2.84 116.94 127.17 1c07 h PHE 24 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1c07 h PHE 24 Cb 0.59 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1c07 h PHE 24 CO 0.04 0.05 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.05 1c07 h LEU 25 N 0.40 0.00 0.00 0.59 3.38 -1.41 0.39 115.31 118.67 1c07 h LEU 25 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1c07 h LEU 25 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1c07 h LEU 25 CO -0.33 0.05 -1.48 0.29 0.09 0.00 0.00 178.44 177.06 1c07 n LYS 26 N -3.30 0.32 -0.09 1.13 5.02 0.88 -4.50 118.16 117.63 1c07 n LYS 26 Ca -0.01 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1c07 n LYS 26 Cb 0.22 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1c07 h THR 27 N 0.00 0.46 -0.22 -0.18 2.02 0.20 -3.41 112.91 111.77 1c07 h THR 27 Ca 0.00 -1.58 -0.35 0.00 0.77 0.00 0.00 66.41 65.25 1c07 h THR 27 Cb 0.74 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1c07 h THR 27 CO 0.00 0.15 1.10 -0.67 0.37 0.00 0.00 175.52 176.48 1c07 n ASP 28 N -4.53 2.28 0.00 4.18 2.03 0.13 -4.38 116.55 116.25 1c07 n ASP 28 Ca -0.19 -2.62 0.01 0.00 0.52 0.00 0.00 54.79 52.52 1c07 n ASP 28 Cb 0.46 -1.46 0.06 0.00 -0.72 0.00 0.00 41.12 39.46 1c07 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1c07 n LYS 29 N 7.95 0.00 0.00 -0.67 5.02 -1.26 -1.20 118.16 128.01 1c07 n LYS 29 Ca 0.45 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 57.26 1c07 n LYS 29 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c07 n ASP 30 N -1.48 1.70 -2.01 4.39 8.00 -1.26 -4.96 116.55 120.92 1c07 n ASP 30 Ca 0.01 -1.35 -0.19 0.00 0.71 0.00 0.00 54.79 53.97 1c07 n ASP 30 Cb 0.03 0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1c07 n MET 31 N -0.07 -1.63 -0.55 -1.24 2.81 -0.34 -4.81 117.12 111.29 1c07 n MET 31 Ca 0.07 1.00 0.05 0.00 -1.81 0.00 0.00 57.70 57.01 1c07 n MET 31 Cb 0.35 -5.51 0.25 0.00 -0.71 0.00 0.00 33.22 27.61 1c07 n MET 31 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1c07 n ASP 32 N -1.58 3.91 -0.41 7.83 5.68 -1.26 -4.84 116.55 125.87 1c07 n ASP 32 Ca -0.21 -2.55 -0.05 0.00 -0.50 0.00 0.00 54.79 51.48 1c07 n ASP 32 Cb 0.65 -0.60 -0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1c07 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c07 n GLY 33 N 0.46 0.64 2.90 6.12 0.00 -1.26 -4.92 105.19 109.13 1c07 n GLY 33 Ca 0.17 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1c07 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c07 s PHE 34 N -1.73 -0.82 0.09 1.61 0.08 -1.26 -3.40 117.98 112.55 1c07 s PHE 34 Ca 0.00 0.70 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 1c07 s PHE 34 Cb 0.00 -0.04 -0.07 0.00 -0.57 0.00 0.00 43.02 42.35 1c07 s PHE 34 CO 0.00 -0.76 0.58 0.54 -0.10 0.00 0.00 175.22 175.48 1c07 s VAL 35 N 2.53 4.74 0.33 -0.44 0.11 -0.50 -4.62 120.40 122.55 1c07 s VAL 35 Ca 0.12 1.18 0.03 0.00 -2.93 0.00 0.00 61.98 60.38 1c07 s VAL 35 Cb -0.15 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.80 1c07 s VAL 35 CO -0.18 0.50 0.50 -0.55 -3.33 0.00 0.00 175.10 172.04 1c07 s SER 36 N -1.22 6.17 0.45 3.54 0.15 -1.26 0.24 113.70 121.77 1c07 s SER 36 Ca 0.31 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1c07 s SER 36 Cb -0.19 -1.76 1.26 0.00 -1.71 0.00 0.00 66.02 63.61 1c07 s SER 36 CO 0.19 -0.32 1.67 1.23 1.20 0.00 0.00 173.24 177.21 1c07 h GLY 37 N 0.84 0.00 2.00 9.45 0.00 -1.89 0.19 103.07 113.65 1c07 h GLY 37 Ca -0.49 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 1c07 h GLY 37 CO 0.59 0.00 -0.72 1.41 0.00 0.00 0.00 176.54 177.82 1c07 h LEU 38 N 0.00 0.00 0.00 3.11 -0.00 -1.92 -1.82 115.31 114.68 1c07 h LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1c07 h LEU 38 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1c07 h LEU 38 CO 0.00 0.72 -0.36 -0.62 -0.00 0.00 0.00 178.44 178.18 1c07 n GLU 39 N -3.64 0.28 0.34 1.13 1.02 0.61 -4.10 120.64 116.28 1c07 n GLU 39 Ca -0.01 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.64 1c07 n GLU 39 Cb 0.71 -1.27 0.75 0.00 -0.02 0.00 0.00 31.44 31.62 1c07 n GLU 39 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1c07 h VAL 40 N -0.60 0.00 -0.78 2.62 3.04 -1.62 -2.92 116.25 115.98 1c07 h VAL 40 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 1c07 h VAL 40 Cb 0.36 0.61 -0.10 0.00 -2.01 0.00 0.00 31.29 30.15 1c07 h VAL 40 CO 0.00 0.00 -0.55 0.08 -1.01 0.00 0.00 177.57 176.09 1c07 h ARG 41 N 0.00 -0.11 -0.88 4.17 0.11 -1.48 0.56 114.38 116.75 1c07 h ARG 41 Ca 0.00 0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.13 1c07 h ARG 41 Cb 0.77 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.82 1c07 h ARG 41 CO -0.00 -0.07 0.56 0.93 0.10 0.00 0.00 179.97 181.49 1c07 h GLU 42 N -0.11 1.03 -0.75 0.08 4.39 -1.77 0.45 114.58 117.90 1c07 h GLU 42 Ca 0.13 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.85 1c07 h GLU 42 Cb 0.44 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1c07 h GLU 42 CO -0.80 0.68 0.50 0.82 -1.16 0.00 0.00 179.01 179.05 1c07 h ILE 43 N 1.06 0.96 0.00 3.13 2.04 -0.41 0.20 117.51 124.49 1c07 h ILE 43 Ca 0.37 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 1c07 h ILE 43 Cb 0.07 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1c07 h ILE 43 CO -0.14 0.13 -0.92 -0.26 0.00 0.00 0.00 178.15 176.96 1c07 h PHE 44 N 0.70 0.00 0.00 1.37 0.04 0.19 -3.28 116.94 115.96 1c07 h PHE 44 Ca 0.34 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.03 1c07 h PHE 44 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1c07 h PHE 44 CO -0.00 0.30 -0.37 -0.07 -0.60 0.00 0.00 178.31 177.57 1c07 h LEU 45 N 0.00 0.00 -0.22 1.54 3.38 0.14 -2.98 115.31 117.17 1c07 h LEU 45 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1c07 h LEU 45 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1c07 h LEU 45 CO 0.03 0.37 -0.09 2.29 0.09 0.00 0.00 178.44 181.13 1c07 n LYS 46 N -3.23 0.71 0.15 1.13 2.85 0.55 -3.53 118.16 116.78 1c07 n LYS 46 Ca 0.02 -0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.19 1c07 n LYS 46 Cb 0.65 -1.50 0.48 0.00 -0.65 0.00 0.00 35.03 34.02 1c07 n LYS 46 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1c07 h THR 47 N 0.54 0.00 0.00 0.58 1.35 -1.59 -3.46 112.91 110.33 1c07 h THR 47 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1c07 h THR 47 Cb 0.33 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1c07 h THR 47 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1c07 n GLY 48 N 0.38 0.73 4.00 5.82 0.00 -1.23 -4.80 105.19 110.08 1c07 n GLY 48 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1c07 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c07 s LEU 49 N 0.00 3.29 0.00 0.99 1.02 -1.26 -5.02 118.68 117.70 1c07 s LEU 49 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.84 1c07 s LEU 49 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1c07 s LEU 49 CO 0.00 -1.21 0.00 -0.81 0.02 0.00 0.00 176.35 174.35 1c07 n PRO 50 N -2.29 1.86 -0.11 1.29 -0.04 -1.26 -4.95 135.00 129.49 1c07 n PRO 50 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 1c07 n PRO 50 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 1c07 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c07 n SER 51 N 0.00 1.90 0.24 3.54 2.88 -1.26 -4.20 113.62 116.73 1c07 n SER 51 Ca 0.00 0.41 -0.16 0.00 -1.33 0.00 0.00 58.87 57.79 1c07 n SER 51 Cb 0.00 -0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1c07 h THR 52 N -1.00 0.51 -0.96 2.46 2.02 -1.99 -2.49 112.91 111.46 1c07 h THR 52 Ca -0.34 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.14 1c07 h THR 52 Cb 1.22 0.51 -0.15 0.00 -1.74 0.00 0.00 68.15 67.98 1c07 h THR 52 CO -0.21 0.00 0.39 0.25 0.37 0.00 0.00 175.52 176.33 1c07 h LEU 53 N -0.61 0.21 0.22 2.58 5.85 -1.98 0.39 115.31 121.96 1c07 h LEU 53 Ca -0.05 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1c07 h LEU 53 Cb 0.50 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1c07 h LEU 53 CO 0.06 -0.20 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.78 1c07 h LEU 54 N 0.21 -0.25 -1.55 2.25 4.07 -1.62 0.77 115.31 119.18 1c07 h LEU 54 Ca 0.67 -0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.58 1c07 h LEU 54 Cb 1.50 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.27 1c07 h LEU 54 CO -0.68 -0.05 0.37 0.00 -1.08 0.00 0.00 178.44 177.01 1c07 h ALA 55 N 0.31 1.82 -0.04 1.53 0.00 -0.38 1.18 119.26 123.67 1c07 h ALA 55 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1c07 h ALA 55 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1c07 h ALA 55 CO 0.05 0.10 -0.70 1.25 0.00 0.00 0.00 179.25 179.94 1c07 h HIS 56 N 0.56 0.30 0.00 0.00 -0.00 0.23 -2.56 115.15 113.68 1c07 h HIS 56 Ca 0.24 -0.13 -0.18 0.00 -0.00 0.00 0.00 60.37 60.30 1c07 h HIS 56 Cb 0.24 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1c07 h HIS 56 CO -0.00 0.85 -0.85 0.82 -0.00 0.00 0.00 177.93 178.74 1c07 h ILE 57 N 0.15 1.60 -0.47 6.26 2.04 0.33 -1.89 117.51 125.54 1c07 h ILE 57 Ca -0.02 -2.94 -0.04 0.00 1.00 0.00 0.00 64.86 62.86 1c07 h ILE 57 Cb 1.25 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.90 1c07 h ILE 57 CO 0.11 0.84 0.15 -0.25 0.00 0.00 0.00 178.15 178.99 1c07 h TRP 58 N 0.00 0.75 0.00 1.37 2.91 0.15 -0.60 115.95 120.53 1c07 h TRP 58 Ca -0.01 -0.07 -0.11 0.00 1.13 0.00 0.00 58.89 59.83 1c07 h TRP 58 Cb 1.53 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.94 1c07 h TRP 58 CO 0.00 0.66 -0.53 1.03 -1.03 0.00 0.00 178.44 178.57 1c07 h SER 59 N 0.62 0.00 0.65 2.65 0.87 -1.45 2.21 113.55 119.10 1c07 h SER 59 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1c07 h SER 59 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1c07 h SER 59 CO -0.01 0.53 0.00 0.18 -0.53 0.00 0.00 176.83 177.01 1c07 n LEU 60 N -3.76 0.22 -0.01 2.23 4.77 -0.71 -3.59 117.00 116.15 1c07 n LEU 60 Ca -0.01 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 1c07 n LEU 60 Cb 0.57 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1c07 n LEU 60 CO 0.40 -0.31 -0.55 0.00 -1.33 0.00 0.00 177.39 175.61 1c07 n ASP 62 N -2.63 1.77 -0.22 0.00 2.03 0.74 -4.61 116.55 113.62 1c07 n ASP 62 Ca -0.03 -2.55 0.01 0.00 0.52 0.00 0.00 54.79 52.74 1c07 n ASP 62 Cb 0.53 -0.79 0.24 0.00 -0.72 0.00 0.00 41.12 40.38 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1c07 h THR 63 N 4.66 1.19 0.00 5.18 1.35 -1.84 0.93 112.91 124.38 1c07 h THR 63 Ca 0.33 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1c07 h THR 63 Cb 0.63 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1c07 h THR 63 CO 1.94 0.19 0.02 0.29 -0.25 0.00 0.00 175.52 177.71 1c07 n LYS 64 N -4.42 0.11 -4.19 4.72 4.01 -1.26 -4.81 118.16 112.32 1c07 n LYS 64 Ca 0.09 0.61 -0.29 0.00 -0.51 0.00 0.00 58.31 58.20 1c07 n LYS 64 Cb 0.04 -1.88 -0.09 0.00 -0.51 0.00 0.00 35.03 32.58 1c07 n LYS 64 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c07 n ASP 65 N -2.10 0.80 -0.00 4.39 5.75 0.32 -4.78 116.55 120.93 1c07 n ASP 65 Ca -0.01 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1c07 n ASP 65 Cb 0.05 -1.48 -0.00 0.00 -1.03 0.00 0.00 41.12 38.65 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c07 n GLY 67 N 1.03 1.21 0.46 0.00 0.00 -1.26 -5.08 105.19 101.54 1c07 n GLY 67 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1c07 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c07 n LYS 68 N -0.82 1.67 -3.83 1.61 5.02 -1.26 -3.86 118.16 116.68 1c07 n LYS 68 Ca 0.00 -0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 55.55 1c07 n LYS 68 Cb 0.00 0.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.94 1c07 n LYS 68 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1c07 s LEU 69 N 0.00 2.01 0.00 -0.35 0.20 0.65 -4.77 118.68 116.42 1c07 s LEU 69 Ca 0.02 -1.10 -0.02 0.00 0.69 0.00 0.00 54.13 53.71 1c07 s LEU 69 Cb -0.00 -0.91 0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1c07 s LEU 69 CO 0.01 -0.29 0.06 -0.24 -0.29 0.00 0.00 176.35 175.60 1c07 n SER 70 N 4.84 -1.57 0.00 3.68 2.88 -1.26 -1.40 113.62 120.78 1c07 n SER 70 Ca -0.09 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1c07 n SER 70 Cb 0.45 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1c07 n SER 70 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1c07 n LYS 71 N -1.53 0.00 -0.29 -1.46 0.00 -1.22 -2.86 118.16 110.80 1c07 n LYS 71 Ca 0.01 0.09 0.10 0.00 0.00 0.00 0.00 58.31 58.51 1c07 n LYS 71 Cb 0.04 -0.61 0.23 0.00 0.00 0.00 0.00 35.03 34.69 1c07 n LYS 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1c07 h ASP 72 N 0.00 -0.29 -0.29 3.14 3.32 -1.93 0.15 116.42 120.51 1c07 h ASP 72 Ca 0.00 0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.34 1c07 h ASP 72 Cb 0.00 0.37 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 1c07 h ASP 72 CO 0.00 -0.22 -0.24 1.56 -1.72 0.00 0.00 179.24 178.62 1c07 h GLN 73 N 0.10 -0.21 -1.27 3.56 4.20 -1.87 0.20 115.11 119.81 1c07 h GLN 73 Ca 0.51 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.62 1c07 h GLN 73 Cb 0.98 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.70 1c07 h GLN 73 CO -0.74 -0.14 0.84 0.35 -0.67 0.00 0.00 178.83 178.47 1c07 h PHE 74 N -0.22 0.45 0.00 2.96 3.57 -0.55 2.86 116.94 126.01 1c07 h PHE 74 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1c07 h PHE 74 Cb 0.46 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1c07 h PHE 74 CO -0.42 -0.09 0.00 0.00 -2.23 0.00 0.00 178.31 175.58 1c07 n ALA 75 N -2.57 2.17 0.11 2.41 0.00 0.66 -2.97 120.51 120.32 1c07 n ALA 75 Ca 0.33 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.81 1c07 n ALA 75 Cb 1.29 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 19.30 1c07 n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c07 h LEU 76 N 0.00 0.00 0.25 0.00 6.46 0.55 -3.29 115.31 119.28 1c07 h LEU 76 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1c07 h LEU 76 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1c07 h LEU 76 CO 0.00 0.34 -0.12 0.00 -0.62 0.00 0.00 178.44 178.04 1c07 h ALA 77 N 1.66 -0.34 -0.84 1.25 0.00 -1.30 -3.01 119.26 116.69 1c07 h ALA 77 Ca -0.05 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.85 1c07 h ALA 77 Cb 1.30 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1c07 h ALA 77 CO 0.03 -0.45 0.56 0.74 0.00 0.00 0.00 179.25 180.13 1c07 h PHE 78 N -0.81 0.45 -0.16 0.00 -1.00 -1.71 0.33 116.94 114.05 1c07 h PHE 78 Ca -0.03 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.80 1c07 h PHE 78 Cb 0.51 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1c07 h PHE 78 CO 0.05 0.14 0.46 1.25 -1.61 0.00 0.00 178.31 178.60 1c07 h HIS 79 N 0.35 0.00 0.00 -0.55 -0.00 -1.59 0.75 115.15 114.11 1c07 h HIS 79 Ca 0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.69 1c07 h HIS 79 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 1c07 h HIS 79 CO -0.00 0.00 -1.98 1.28 -0.00 0.00 0.00 177.93 177.23 1c07 n LEU 80 N -3.09 0.13 0.01 0.26 4.77 0.12 -4.27 117.00 114.93 1c07 n LEU 80 Ca 0.02 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1c07 n LEU 80 Cb 0.55 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1c07 n LEU 80 CO 0.16 0.12 0.45 0.40 -1.33 0.00 0.00 177.39 177.19 1c07 h ILE 81 N 0.00 1.13 -1.40 -0.08 2.04 0.60 -3.12 117.51 116.68 1c07 h ILE 81 Ca -0.15 -1.34 0.41 0.00 1.00 0.00 0.00 64.86 64.77 1c07 h ILE 81 Cb 1.36 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 39.29 1c07 h ILE 81 CO 0.01 0.30 0.99 -1.28 0.00 0.00 0.00 178.15 178.17 1c07 h SER 82 N -0.79 0.07 0.87 1.72 0.87 -1.21 1.48 113.55 116.56 1c07 h SER 82 Ca -0.01 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1c07 h SER 82 Cb 0.59 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1c07 h SER 82 CO 0.02 -0.01 -0.29 1.56 -0.53 0.00 0.00 176.83 177.57 1c07 h GLN 83 N 0.05 0.00 0.00 2.24 4.20 -1.72 -2.95 115.11 116.93 1c07 h GLN 83 Ca 0.69 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.40 1c07 h GLN 83 Cb 2.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.41 1c07 h GLN 83 CO -0.08 0.29 -1.00 1.17 -0.67 0.00 0.00 178.83 178.54 1c07 n LYS 84 N -3.47 0.60 -0.06 1.46 0.00 0.50 0.28 118.16 117.48 1c07 n LYS 84 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 58.31 58.41 1c07 n LYS 84 Cb 0.46 -1.82 -0.01 0.00 0.00 0.00 0.00 35.03 33.66 1c07 n LYS 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1c07 h LEU 85 N 0.00 0.00 0.03 3.14 3.38 -1.28 -3.29 115.31 117.29 1c07 h LEU 85 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1c07 h LEU 85 Cb 1.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1c07 h LEU 85 CO 0.00 0.57 -2.21 -0.38 0.09 0.00 0.00 178.44 176.52 1c07 n ILE 86 N -4.50 1.56 0.65 1.22 2.08 -1.13 -4.34 119.36 114.91 1c07 n ILE 86 Ca -0.03 -0.70 0.12 0.00 0.56 0.00 0.00 62.75 62.70 1c07 n ILE 86 Cb 0.12 -1.21 0.17 0.00 -0.75 0.00 0.00 39.64 37.97 1c07 n ILE 86 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1c07 n LYS 87 N -3.16 0.24 -1.33 0.38 4.76 -1.17 -4.91 118.16 112.97 1c07 n LYS 87 Ca -0.34 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.02 1c07 n LYS 87 Cb 1.06 -1.64 -0.05 0.00 -1.84 0.00 0.00 35.03 32.55 1c07 n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c07 n GLY 88 N 1.37 1.22 3.91 0.72 0.00 0.54 -4.85 105.19 108.10 1c07 n GLY 88 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1c07 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c07 s ILE 89 N -2.05 4.56 0.60 -0.61 1.01 0.81 -4.82 121.20 120.71 1c07 s ILE 89 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1c07 s ILE 89 Cb 0.00 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1c07 s ILE 89 CO 0.00 -0.77 0.85 1.51 0.00 0.00 0.00 174.94 176.53 1c07 s ASP 90 N -4.16 5.18 0.68 3.58 -4.77 -1.26 -3.37 116.67 112.55 1c07 s ASP 90 Ca 0.50 0.19 -0.14 0.00 -3.30 0.00 0.00 52.55 49.80 1c07 s ASP 90 Cb -0.10 -1.03 0.01 0.00 -1.09 0.00 0.00 42.92 40.71 1c07 s ASP 90 CO 0.45 -1.26 1.10 -2.16 0.70 0.00 0.00 175.17 174.01 1c07 s PRO 91 N -4.92 2.72 -0.80 2.11 0.04 -1.26 -4.87 135.00 128.02 1c07 s PRO 91 Ca 0.57 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1c07 s PRO 91 Cb -0.10 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1c07 s PRO 91 CO 0.41 -1.31 1.97 -0.35 0.04 0.00 0.00 177.00 177.77 1c07 n PRO 92 N -2.66 1.75 0.00 0.56 -0.04 -1.26 -4.89 135.00 128.46 1c07 n PRO 92 Ca 0.10 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1c07 n PRO 92 Cb 0.52 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1c07 n PRO 92 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1c07 n HIS 93 N 5.23 0.00 -3.13 0.54 -0.00 -1.26 -4.53 115.22 112.08 1c07 n HIS 93 Ca 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.09 1c07 n HIS 93 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.21 1c07 n HIS 93 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1c07 n VAL 94 N 0.00 0.00 -0.77 3.57 0.24 -1.26 -4.86 118.33 115.25 1c07 n VAL 94 Ca 0.00 -0.52 -0.30 0.00 -2.04 0.00 0.00 64.34 61.48 1c07 n VAL 94 Cb 0.00 -0.77 0.19 0.00 -1.47 0.00 0.00 33.84 31.78 1c07 n VAL 94 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1c07 s LEU 95 N 0.00 2.00 0.19 1.34 1.98 -1.26 -4.97 118.68 117.96 1c07 s LEU 95 Ca 0.14 1.79 -0.07 0.00 -2.89 0.00 0.00 54.13 53.11 1c07 s LEU 95 Cb -0.01 -4.02 -0.02 0.00 0.66 0.00 0.00 46.19 42.80 1c07 s LEU 95 CO 0.09 -3.37 0.27 0.42 -1.89 0.00 0.00 176.35 171.87 1c07 s THR 96 N -2.65 0.03 0.18 3.68 -4.23 -1.26 -5.02 115.64 106.37 1c07 s THR 96 Ca 0.66 -1.62 0.27 0.00 -1.18 0.00 0.00 61.69 59.83 1c07 s THR 96 Cb -0.22 -2.14 0.28 0.00 1.34 0.00 0.00 72.50 71.75 1c07 s THR 96 CO 0.60 -0.15 1.90 1.55 -0.54 0.00 0.00 174.62 177.98 1c07 h PRO 97 N 2.52 0.00 -0.00 3.99 0.13 -1.93 -1.30 132.00 135.40 1c07 h PRO 97 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1c07 h PRO 97 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c07 h PRO 97 CO 0.47 0.16 -0.03 0.39 -0.23 0.00 0.00 178.00 178.77 1c07 n GLU 98 N -3.36 0.91 -0.01 0.86 1.02 -1.25 -3.10 120.64 115.72 1c07 n GLU 98 Ca -0.00 -0.18 0.01 0.00 -0.02 0.00 0.00 57.16 56.96 1c07 n GLU 98 Cb 0.37 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1c07 n GLU 98 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1c07 n MET 99 N -0.88 1.11 -3.62 3.49 1.56 -0.53 0.25 117.12 118.50 1c07 n MET 99 Ca 0.19 -1.07 -0.40 0.00 -0.27 0.00 0.00 57.70 56.16 1c07 n MET 99 Cb 0.20 -1.02 -0.09 0.00 2.15 0.00 0.00 33.22 34.46 1c07 n MET 99 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1c07 s ILE 100 N -0.55 3.97 0.25 1.12 1.01 -0.98 -4.81 121.20 121.21 1c07 s ILE 100 Ca 0.02 -1.82 0.09 0.00 0.00 0.00 0.00 60.65 58.94 1c07 s ILE 100 Cb 0.01 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1c07 s ILE 100 CO 0.01 -0.73 1.57 1.55 0.00 0.00 0.00 174.94 177.35 1c07 h PRO 101 N 8.34 0.04 -6.95 2.79 0.13 -1.87 -3.42 132.00 131.07 1c07 h PRO 101 Ca -0.19 -0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.41 1c07 h PRO 101 Cb 1.07 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.24 1c07 h PRO 101 CO 0.81 0.67 0.45 -1.25 -0.23 0.00 0.00 178.00 178.46 1c07 s PRO 102 N -3.55 4.11 0.00 1.56 0.04 -1.26 -4.94 135.00 130.95 1c07 s PRO 102 Ca -0.02 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1c07 s PRO 102 Cb 0.12 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1c07 s PRO 102 CO 0.77 -0.23 0.49 0.43 0.04 0.00 0.00 177.00 178.50