#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 0.63 0.19 -1.42 -0.00 -1.26 -4.36 118.94 112.72 1c07 s TRP 10 Ca 0.00 -0.12 -0.12 0.00 -0.00 0.00 0.00 56.10 55.86 1c07 s TRP 10 Cb 0.00 -0.41 0.15 0.00 -0.00 0.00 0.00 33.47 33.21 1c07 s TRP 10 CO 0.00 -0.01 1.81 -0.39 -0.00 0.00 0.00 176.95 178.36 1c07 h VAL 11 N 4.98 1.03 -1.84 5.86 -1.51 0.25 -3.43 116.25 121.58 1c07 h VAL 11 Ca -0.29 -0.22 -0.58 0.00 -1.23 0.00 0.00 66.70 64.37 1c07 h VAL 11 Cb 1.19 0.32 -0.10 0.00 -2.13 0.00 0.00 31.29 30.56 1c07 h VAL 11 CO 0.50 0.12 -0.59 0.54 -1.23 0.00 0.00 177.57 176.91 1c07 s VAL 12 N -6.13 2.55 0.00 7.19 0.11 -1.26 -4.97 120.40 117.89 1c07 s VAL 12 Ca -0.13 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 1c07 s VAL 12 Cb 0.14 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1c07 s VAL 12 CO 0.75 -0.15 0.00 -1.54 -3.33 0.00 0.00 175.10 170.83 1c07 n SER 13 N -1.02 0.00 -2.49 3.54 3.41 -1.26 -4.91 113.62 110.89 1c07 n SER 13 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1c07 n SER 13 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1c07 n PRO 14 N 0.00 2.64 -0.15 4.33 -0.04 -1.26 -3.31 135.00 137.21 1c07 n PRO 14 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1c07 n PRO 14 Cb 0.00 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 33.65 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 0.33 0.15 0.55 0.00 -1.26 0.32 120.51 117.61 1c07 n ALA 15 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1c07 n ALA 15 Cb 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1c07 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c07 h GLU 16 N 0.00 -0.55 -0.71 0.00 5.08 -1.97 1.56 114.58 118.00 1c07 h GLU 16 Ca 0.32 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.88 1c07 h GLU 16 Cb 0.76 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1c07 h GLU 16 CO -0.39 -0.36 0.48 -0.22 -1.00 0.00 0.00 179.01 177.52 1c07 h LYS 17 N -0.57 0.25 0.09 2.33 3.11 -0.12 0.13 116.57 121.79 1c07 h LYS 17 Ca -0.03 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1c07 h LYS 17 Cb 0.51 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1c07 h LYS 17 CO -0.07 0.16 -0.04 0.00 -2.81 0.00 0.00 179.45 176.69 1c07 h ALA 18 N 1.66 -0.12 -0.38 5.00 0.00 -0.57 2.19 119.26 127.04 1c07 h ALA 18 Ca 0.34 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1c07 h ALA 18 Cb 0.98 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1c07 h ALA 18 CO -0.08 -0.26 0.27 -0.22 0.00 0.00 0.00 179.25 178.97 1c07 h LYS 19 N -0.74 0.02 0.00 0.00 3.64 0.31 -1.96 116.57 117.84 1c07 h LYS 19 Ca -0.01 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1c07 h LYS 19 Cb 0.57 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1c07 h LYS 19 CO 0.02 0.01 -1.19 1.88 -2.27 0.00 0.00 179.45 177.90 1c07 h TYR 20 N 0.02 0.00 -0.99 1.91 0.05 -0.67 -3.25 116.97 114.04 1c07 h TYR 20 Ca 0.18 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.30 1c07 h TYR 20 Cb 0.70 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.28 1c07 h TYR 20 CO -0.00 1.40 0.51 0.22 -1.05 0.00 0.00 178.16 179.24 1c07 h ASP 21 N -1.00 0.38 0.02 3.88 1.82 0.39 2.29 116.42 124.21 1c07 h ASP 21 Ca -0.32 0.22 -0.12 0.00 -0.39 0.00 0.00 57.03 56.41 1c07 h ASP 21 Cb 1.25 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.45 1c07 h ASP 21 CO -0.20 -0.23 -0.40 -0.33 -1.61 0.00 0.00 179.24 176.47 1c07 h GLU 22 N 0.21 0.48 -0.07 0.28 5.08 -1.51 -2.97 114.58 116.08 1c07 h GLU 22 Ca 0.75 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 58.64 1c07 h GLU 22 Cb 1.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.04 1c07 h GLU 22 CO -0.67 0.80 -0.89 0.82 -1.00 0.00 0.00 179.01 178.07 1c07 h ILE 23 N 0.40 1.31 -0.99 3.13 2.04 0.33 -3.00 117.51 120.72 1c07 h ILE 23 Ca 0.04 -2.15 0.26 0.00 1.00 0.00 0.00 64.86 64.01 1c07 h ILE 23 Cb 0.87 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 39.08 1c07 h ILE 23 CO 0.07 0.67 0.68 0.15 0.00 0.00 0.00 178.15 179.72 1c07 h PHE 24 N 0.42 0.32 0.00 1.37 3.57 0.10 2.76 116.94 125.48 1c07 h PHE 24 Ca -0.08 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1c07 h PHE 24 Cb 1.52 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1c07 h PHE 24 CO 0.08 0.05 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.00 1c07 h LEU 25 N 0.21 0.00 0.00 0.59 3.38 -1.48 0.47 115.31 118.49 1c07 h LEU 25 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1c07 h LEU 25 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1c07 h LEU 25 CO -0.13 0.14 -1.50 1.17 0.09 0.00 0.00 178.44 178.21 1c07 n LYS 26 N -3.62 0.40 -0.09 1.13 3.00 0.84 -4.47 118.16 115.35 1c07 n LYS 26 Ca -0.02 -0.10 -0.16 0.00 -0.00 0.00 0.00 58.31 58.04 1c07 n LYS 26 Cb 0.27 -1.54 -0.09 0.00 0.00 0.00 0.00 35.03 33.68 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1c07 h THR 27 N 0.00 0.71 0.00 3.15 2.02 0.21 -3.39 112.91 115.61 1c07 h THR 27 Ca 0.00 -1.84 -0.36 0.00 0.77 0.00 0.00 66.41 64.98 1c07 h THR 27 Cb 0.80 1.65 0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1c07 h THR 27 CO 0.00 0.24 2.02 -0.67 0.37 0.00 0.00 175.52 177.48 1c07 n ASP 28 N -4.51 2.80 0.00 4.18 -0.08 0.16 -4.33 116.55 114.76 1c07 n ASP 28 Ca -0.23 -2.33 0.04 0.00 -1.51 0.00 0.00 54.79 50.77 1c07 n ASP 28 Cb 0.53 -0.89 0.23 0.00 2.34 0.00 0.00 41.12 43.33 1c07 n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c07 n LYS 29 N 5.35 0.17 -0.00 -0.67 5.02 -1.26 -1.99 118.16 124.77 1c07 n LYS 29 Ca 0.34 0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 1c07 n LYS 29 Cb 0.18 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.19 0.83 -3.39 4.39 8.00 -1.26 -4.97 116.55 118.96 1c07 n ASP 30 Ca 0.05 -0.82 -0.24 0.00 0.71 0.00 0.00 54.79 54.49 1c07 n ASP 30 Cb 0.05 1.09 0.04 0.00 -0.02 0.00 0.00 41.12 42.28 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 -1.49 -5.74 -0.04 -1.24 2.81 -0.84 -4.85 117.12 105.73 1c07 n MET 31 Ca 0.03 0.78 0.10 0.00 -1.81 0.00 0.00 57.70 56.80 1c07 n MET 31 Cb 0.30 -5.69 0.11 0.00 -0.71 0.00 0.00 33.22 27.23 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 -2.69 2.82 0.00 7.83 5.68 -1.26 -4.94 116.55 123.98 1c07 n ASP 32 Ca -0.04 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1c07 n ASP 32 Cb 0.58 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 1.17 1.99 3.04 6.12 0.00 -1.26 -5.04 105.19 111.21 1c07 n GLY 33 Ca 0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c07 s PHE 34 N -1.56 0.64 0.01 1.61 -0.71 -1.25 -3.07 117.98 113.66 1c07 s PHE 34 Ca 0.00 -0.38 -0.20 0.00 -1.04 0.00 0.00 56.93 55.31 1c07 s PHE 34 Cb 0.00 -0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 41.36 1c07 s PHE 34 CO 0.00 -0.06 0.59 0.54 -1.34 0.00 0.00 175.22 174.95 1c07 s VAL 35 N -1.01 4.88 0.33 -2.49 0.11 0.69 -4.49 120.40 118.41 1c07 s VAL 35 Ca -0.06 1.24 -0.13 0.00 -2.93 0.00 0.00 61.98 60.10 1c07 s VAL 35 Cb -0.08 -3.92 -0.08 0.00 -1.53 0.00 0.00 36.38 30.77 1c07 s VAL 35 CO 0.00 0.44 0.72 -0.94 -3.33 0.00 0.00 175.10 171.99 1c07 s SER 36 N -0.36 6.70 0.61 3.54 1.04 -1.26 0.26 113.70 124.22 1c07 s SER 36 Ca 0.31 1.20 0.26 0.00 0.48 0.00 0.00 55.95 58.20 1c07 s SER 36 Cb -0.18 -2.34 1.04 0.00 0.10 0.00 0.00 66.02 64.64 1c07 s SER 36 CO 0.17 -0.23 1.46 1.23 0.98 0.00 0.00 173.24 176.85 1c07 h GLY 37 N 2.08 0.00 1.03 7.32 0.00 -1.93 0.47 103.07 112.04 1c07 h GLY 37 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1c07 h GLY 37 CO 0.66 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.71 1c07 h LEU 38 N 0.00 0.95 0.00 3.11 3.38 -1.92 0.31 115.31 121.14 1c07 h LEU 38 Ca 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1c07 h LEU 38 Cb 2.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.89 1c07 h LEU 38 CO -0.00 0.96 -0.06 -0.33 0.09 0.00 0.00 178.44 179.09 1c07 h GLU 39 N 0.89 0.00 0.00 1.13 5.08 -0.33 -3.25 114.58 118.11 1c07 h GLU 39 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1c07 h GLU 39 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1c07 h GLU 39 CO 0.01 0.16 0.12 -0.24 -1.00 0.00 0.00 179.01 178.06 1c07 h VAL 40 N -1.00 0.00 0.00 3.13 3.04 -1.59 -3.25 116.25 116.58 1c07 h VAL 40 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1c07 h VAL 40 Cb 0.21 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1c07 h VAL 40 CO -0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.42 1c07 n ARG 41 N -2.43 0.00 -0.29 4.17 0.63 0.11 0.19 116.66 119.04 1c07 n ARG 41 Ca -0.02 0.57 0.09 0.00 -0.92 0.00 0.00 57.85 57.58 1c07 n ARG 41 Cb 0.16 -1.17 0.22 0.00 0.45 0.00 0.00 32.46 32.13 1c07 n ARG 41 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1c07 h GLU 42 N 0.00 0.11 -0.92 -0.14 5.08 -1.77 2.79 114.58 119.72 1c07 h GLU 42 Ca 0.00 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1c07 h GLU 42 Cb 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 1c07 h GLU 42 CO 0.00 0.07 0.59 0.82 -1.00 0.00 0.00 179.01 179.49 1c07 h ILE 43 N 0.11 0.78 0.08 3.13 2.04 -1.25 0.18 117.51 122.57 1c07 h ILE 43 Ca 0.50 -0.22 -0.23 0.00 1.00 0.00 0.00 64.86 65.90 1c07 h ILE 43 Cb 0.95 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1c07 h ILE 43 CO -0.73 0.12 -1.17 -0.26 0.00 0.00 0.00 178.15 176.10 1c07 h PHE 44 N 0.65 0.30 -0.65 1.37 -1.00 1.51 -3.30 116.94 115.83 1c07 h PHE 44 Ca 0.48 -0.22 0.19 0.00 2.81 0.00 0.00 57.97 61.23 1c07 h PHE 44 Cb 0.85 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.37 1c07 h PHE 44 CO -0.00 1.46 0.57 -0.07 -1.61 0.00 0.00 178.31 178.65 1c07 h LEU 45 N -0.53 0.00 0.00 1.54 3.38 0.42 1.79 115.31 121.90 1c07 h LEU 45 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1c07 h LEU 45 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1c07 h LEU 45 CO 0.00 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.82 1c07 n LYS 46 N -3.93 0.32 0.18 1.13 2.85 0.55 -2.53 118.16 116.74 1c07 n LYS 46 Ca 0.13 0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 1c07 n LYS 46 Cb 0.81 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.99 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 0.00 0.00 0.00 0.58 1.35 0.26 -3.46 112.91 111.64 1c07 h THR 47 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1c07 h THR 47 Cb 0.19 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 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 1.06 0.43 3.90 5.82 0.00 -1.05 -4.76 105.19 110.58 1c07 n GLY 48 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 2.78 0.97 0.99 1.02 -1.26 -5.07 118.68 118.11 1c07 s LEU 49 Ca 0.00 0.91 -0.16 0.00 0.02 0.00 0.00 54.13 54.90 1c07 s LEU 49 Cb 0.00 -3.59 0.19 0.00 0.02 0.00 0.00 46.19 42.82 1c07 s LEU 49 CO 0.00 -1.54 1.27 -2.16 0.02 0.00 0.00 176.35 173.93 1c07 s PRO 50 N -5.40 0.59 0.04 1.29 0.04 -1.26 -4.94 135.00 125.37 1c07 s PRO 50 Ca 0.59 -0.26 -0.18 0.00 0.04 0.00 0.00 61.00 61.19 1c07 s PRO 50 Cb -0.11 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 1c07 s PRO 50 CO 0.50 -2.47 1.25 0.66 0.04 0.00 0.00 177.00 176.97 1c07 h SER 51 N -1.69 0.58 0.66 6.66 4.64 -2.00 -3.06 113.55 119.35 1c07 h SER 51 Ca -0.45 -0.62 -0.03 0.00 -0.47 0.00 0.00 61.79 60.22 1c07 h SER 51 Cb 1.26 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1c07 h SER 51 CO 0.42 1.10 -0.32 0.74 -0.87 0.00 0.00 176.83 177.90 1c07 h THR 52 N 0.09 0.12 -1.02 2.95 2.02 -1.99 -1.94 112.91 113.15 1c07 h THR 52 Ca -0.02 -0.32 0.33 0.00 0.77 0.00 0.00 66.41 67.17 1c07 h THR 52 Cb 1.06 0.17 -0.15 0.00 -1.74 0.00 0.00 68.15 67.49 1c07 h THR 52 CO 0.09 0.02 0.59 0.25 0.37 0.00 0.00 175.52 176.83 1c07 h LEU 53 N -1.17 0.50 0.24 2.58 5.85 -1.97 0.68 115.31 122.02 1c07 h LEU 53 Ca -0.09 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1c07 h LEU 53 Cb 0.71 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1c07 h LEU 53 CO 0.15 -0.15 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.92 1c07 h LEU 54 N 0.30 -0.27 -1.86 2.25 3.38 -1.41 0.75 115.31 118.45 1c07 h LEU 54 Ca 0.74 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.57 1c07 h LEU 54 Cb 1.74 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1c07 h LEU 54 CO -0.60 0.03 0.15 0.00 0.09 0.00 0.00 178.44 178.11 1c07 h ALA 55 N 0.08 1.98 -0.05 1.53 0.00 0.16 0.73 119.26 123.70 1c07 h ALA 55 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1c07 h ALA 55 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1c07 h ALA 55 CO 0.05 -0.02 -0.92 1.25 0.00 0.00 0.00 179.25 179.62 1c07 h HIS 56 N 0.18 0.90 0.00 0.00 -0.00 0.65 -2.89 115.15 113.99 1c07 h HIS 56 Ca 0.09 -0.45 -0.10 0.00 -0.00 0.00 0.00 60.37 59.91 1c07 h HIS 56 Cb 0.15 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1c07 h HIS 56 CO -0.00 1.28 -0.50 0.82 -0.00 0.00 0.00 177.93 179.53 1c07 h ILE 57 N 0.38 1.21 -0.53 6.26 2.04 0.22 -2.23 117.51 124.87 1c07 h ILE 57 Ca -0.09 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 1c07 h ILE 57 Cb 1.55 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 1c07 h ILE 57 CO 0.17 0.49 0.29 -0.25 0.00 0.00 0.00 178.15 178.85 1c07 h TRP 58 N 0.00 0.72 -0.11 1.37 2.91 0.55 0.49 115.95 121.88 1c07 h TRP 58 Ca -0.00 -0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.86 1c07 h TRP 58 Cb 0.97 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 1c07 h TRP 58 CO 0.00 0.53 -0.55 1.03 -1.03 0.00 0.00 178.44 178.42 1c07 h SER 59 N 0.70 0.36 0.44 2.65 0.87 -1.34 2.18 113.55 119.41 1c07 h SER 59 Ca 0.19 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1c07 h SER 59 Cb 0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1c07 h SER 59 CO -0.03 0.84 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.77 1c07 h LEU 60 N 0.25 0.00 0.00 2.23 3.38 -0.78 -3.18 115.31 117.22 1c07 h LEU 60 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1c07 h LEU 60 Cb 1.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1c07 h LEU 60 CO 0.09 0.27 -2.28 0.00 0.09 0.00 0.00 178.44 176.60 1c07 n ASP 62 N -2.93 5.98 -0.18 0.00 2.03 0.73 -4.58 116.55 117.61 1c07 n ASP 62 Ca -0.35 -2.39 0.21 0.00 0.52 0.00 0.00 54.79 52.78 1c07 n ASP 62 Cb 1.01 -1.25 0.58 0.00 -0.72 0.00 0.00 41.12 40.74 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 2.94 0.67 0.00 5.18 1.35 -1.80 1.01 112.91 122.27 1c07 h THR 63 Ca 0.53 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 1c07 h THR 63 Cb 0.49 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1c07 h THR 63 CO 1.23 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 176.84 1c07 n LYS 64 N -4.43 0.08 -4.20 4.72 4.01 -1.26 -4.84 118.16 112.24 1c07 n LYS 64 Ca 0.17 0.50 -0.37 0.00 -0.51 0.00 0.00 58.31 58.10 1c07 n LYS 64 Cb 0.72 -1.72 -0.05 0.00 -0.51 0.00 0.00 35.03 33.48 1c07 n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1c07 n ASP 65 N -1.88 -1.09 0.00 4.39 -0.08 0.35 -4.82 116.55 113.42 1c07 n ASP 65 Ca 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 1c07 n ASP 65 Cb 0.07 -1.73 0.00 0.00 2.34 0.00 0.00 41.12 41.80 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c07 n GLY 67 N -0.38 2.22 3.56 0.00 0.00 -1.26 -5.00 105.19 104.34 1c07 n GLY 67 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1c07 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c07 s LYS 68 N -0.38 1.92 -0.26 1.61 1.02 -1.26 -4.14 119.74 118.26 1c07 s LYS 68 Ca 0.00 -2.16 -0.03 0.00 0.02 0.00 0.00 55.97 53.80 1c07 s LYS 68 Cb 0.00 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1c07 s LYS 68 CO 0.00 -0.34 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.55 1c07 s LEU 69 N -3.65 3.39 0.00 3.17 1.43 0.73 -4.81 118.68 118.95 1c07 s LEU 69 Ca 0.24 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1c07 s LEU 69 Cb 0.04 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.64 1c07 s LEU 69 CO 0.12 -0.15 0.28 -1.20 0.23 0.00 0.00 176.35 175.63 1c07 n SER 70 N 4.72 -2.10 -0.05 2.29 7.64 -1.26 0.25 113.62 125.10 1c07 n SER 70 Ca -0.16 -0.43 -0.13 0.00 1.01 0.00 0.00 58.87 59.16 1c07 n SER 70 Cb 0.47 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1c07 n SER 70 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1c07 h LYS 71 N 0.00 0.35 -0.00 1.43 1.63 -1.95 -2.99 116.57 115.04 1c07 h LYS 71 Ca -0.12 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1c07 h LYS 71 Cb 0.38 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1c07 h LYS 71 CO 0.07 0.77 -0.07 -0.25 -3.45 0.00 0.00 179.45 176.53 1c07 n ASP 72 N -4.53 0.50 -0.02 4.20 8.00 -1.26 -3.83 116.55 119.60 1c07 n ASP 72 Ca -0.07 -0.75 -0.22 0.00 0.71 0.00 0.00 54.79 54.46 1c07 n ASP 72 Cb 0.39 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 1c07 n ASP 72 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1c07 h GLN 73 N 0.67 0.19 0.00 -1.24 1.08 -1.80 -3.25 115.11 110.75 1c07 h GLN 73 Ca 0.00 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 1c07 h GLN 73 Cb 0.31 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1c07 h GLN 73 CO 0.00 1.16 -0.03 0.35 -0.95 0.00 0.00 178.83 179.35 1c07 h PHE 74 N -0.32 0.00 0.00 2.96 3.57 -1.63 0.36 116.94 121.88 1c07 h PHE 74 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1c07 h PHE 74 Cb 1.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1c07 h PHE 74 CO 0.10 0.03 -0.02 0.00 -2.23 0.00 0.00 178.31 176.19 1c07 n ALA 75 N -2.29 2.31 -0.10 2.41 0.00 -1.25 -3.49 120.51 118.11 1c07 n ALA 75 Ca -0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1c07 n ALA 75 Cb 0.12 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 1c07 n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1c07 n LEU 76 N -2.13 1.93 -0.25 0.00 7.94 0.12 -4.00 117.00 120.61 1c07 n LEU 76 Ca 0.06 0.40 0.06 0.00 -1.11 0.00 0.00 56.01 55.41 1c07 n LEU 76 Cb 0.42 -0.97 0.17 0.00 0.53 0.00 0.00 43.42 43.57 1c07 n LEU 76 CO 0.30 0.34 0.89 0.00 -1.11 0.00 0.00 177.39 177.80 1c07 h ALA 77 N -0.47 0.89 -1.00 1.96 0.00 -1.39 0.44 119.26 119.69 1c07 h ALA 77 Ca -0.37 0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1c07 h ALA 77 Cb 1.38 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.38 1c07 h ALA 77 CO -0.20 -0.39 0.62 0.74 0.00 0.00 0.00 179.25 180.02 1c07 h PHE 78 N 0.19 1.07 -0.42 0.00 0.04 -1.72 0.54 116.94 116.64 1c07 h PHE 78 Ca 0.42 0.03 0.12 0.00 2.80 0.00 0.00 57.97 61.34 1c07 h PHE 78 Cb 0.73 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1c07 h PHE 78 CO -0.32 0.28 0.52 1.25 -0.60 0.00 0.00 178.31 179.43 1c07 h HIS 79 N 0.80 0.00 0.00 -0.55 2.76 -0.24 2.17 115.15 120.08 1c07 h HIS 79 Ca 0.56 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 58.35 1c07 h HIS 79 Cb 0.83 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.72 1c07 h HIS 79 CO -0.00 0.00 -2.43 1.28 -1.30 0.00 0.00 177.93 175.48 1c07 n LEU 80 N -3.53 1.46 0.09 0.26 4.77 0.17 -3.90 117.00 116.31 1c07 n LEU 80 Ca 0.08 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1c07 n LEU 80 Cb 0.69 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1c07 n LEU 80 CO 0.25 0.71 0.09 0.40 -1.33 0.00 0.00 177.39 177.51 1c07 h ILE 81 N 0.00 1.45 0.00 -0.08 2.04 0.85 -3.08 117.51 118.69 1c07 h ILE 81 Ca -0.56 -2.72 -0.08 0.00 1.00 0.00 0.00 64.86 62.50 1c07 h ILE 81 Cb 2.08 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 40.79 1c07 h ILE 81 CO -0.03 0.80 -0.38 0.77 0.00 0.00 0.00 178.15 179.32 1c07 h SER 82 N 0.15 0.00 0.44 1.72 4.64 0.33 -2.04 113.55 118.79 1c07 h SER 82 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1c07 h SER 82 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1c07 h SER 82 CO 0.18 0.38 -0.11 0.00 -0.87 0.00 0.00 176.83 176.41 1c07 n GLN 83 N -4.05 0.57 0.04 4.77 10.64 -1.20 -3.54 117.38 124.60 1c07 n GLN 83 Ca -0.02 -0.17 0.02 0.00 -1.83 0.00 0.00 57.00 55.00 1c07 n GLN 83 Cb 0.42 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.23 1c07 n GLN 83 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1c07 n LYS 84 N -1.07 0.62 0.00 2.61 4.76 -0.77 0.24 118.16 124.55 1c07 n LYS 84 Ca 0.13 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1c07 n LYS 84 Cb 0.28 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1c07 n LYS 84 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c07 n LEU 85 N -2.82 0.19 -0.11 -0.35 4.77 -1.18 -3.10 117.00 114.39 1c07 n LEU 85 Ca -0.09 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1c07 n LEU 85 Cb 0.79 -0.44 0.60 0.00 -2.33 0.00 0.00 43.42 42.05 1c07 n LEU 85 CO 0.43 -0.44 0.90 -0.38 -1.33 0.00 0.00 177.39 176.56 1c07 n ILE 86 N -2.09 0.03 0.00 -0.08 2.08 -1.24 -4.18 119.36 113.87 1c07 n ILE 86 Ca 0.00 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1c07 n ILE 86 Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.70 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 -0.61 0.00 -0.64 0.38 4.76 -1.21 -5.02 118.16 115.82 1c07 n LYS 87 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1c07 n LYS 87 Cb 0.13 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 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 2.58 0.73 3.75 0.72 0.00 0.66 -4.91 105.19 108.72 1c07 n GLY 88 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.49 3.85 0.82 -0.61 1.01 0.26 -4.84 121.20 119.20 1c07 s ILE 89 Ca 0.00 1.82 -0.12 0.00 0.00 0.00 0.00 60.65 62.35 1c07 s ILE 89 Cb 0.00 -4.16 0.09 0.00 0.01 0.00 0.00 42.46 38.41 1c07 s ILE 89 CO 0.00 0.42 1.19 -1.81 0.00 0.00 0.00 174.94 174.74 1c07 s ASP 90 N -0.91 4.35 0.72 3.58 1.01 -1.26 -3.85 116.67 120.30 1c07 s ASP 90 Ca 0.43 0.71 -0.12 0.00 0.71 0.00 0.00 52.55 54.28 1c07 s ASP 90 Cb -0.28 -1.15 0.03 0.00 1.01 0.00 0.00 42.92 42.52 1c07 s ASP 90 CO 0.36 -2.00 1.09 -2.16 0.21 0.00 0.00 175.17 172.67 1c07 s PRO 91 N -5.61 2.58 0.00 8.23 0.04 -1.26 -4.89 135.00 134.09 1c07 s PRO 91 Ca 0.63 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1c07 s PRO 91 Cb -0.10 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 1c07 s PRO 91 CO 0.49 -1.40 2.46 -0.35 0.04 0.00 0.00 177.00 178.24 1c07 n PRO 92 N -3.06 1.28 0.00 0.56 -0.04 -1.26 -4.88 135.00 127.60 1c07 n PRO 92 Ca 0.09 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1c07 n PRO 92 Cb 0.53 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1c07 n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1c07 n HIS 93 N 2.33 0.00 -3.21 0.54 8.25 -1.26 -4.60 115.22 117.26 1c07 n HIS 93 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1c07 n HIS 93 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1c07 n HIS 93 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1c07 n VAL 94 N 0.00 0.00 -1.97 1.59 0.24 -1.26 -4.90 118.33 112.03 1c07 n VAL 94 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1c07 n VAL 94 Cb 0.00 -0.13 0.05 0.00 -1.47 0.00 0.00 33.84 32.29 1c07 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1c07 s LEU 95 N 0.00 2.92 0.23 1.34 2.01 -1.26 -4.96 118.68 118.96 1c07 s LEU 95 Ca 0.00 1.03 -0.08 0.00 0.01 0.00 0.00 54.13 55.09 1c07 s LEU 95 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 46.19 42.38 1c07 s LEU 95 CO 0.00 -1.35 0.34 0.42 1.01 0.00 0.00 176.35 176.77 1c07 s THR 96 N -3.32 0.00 0.18 5.49 -4.23 -1.26 -5.01 115.64 107.48 1c07 s THR 96 Ca 0.58 -1.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1c07 s THR 96 Cb -0.11 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1c07 s THR 96 CO 0.50 0.00 1.53 1.55 -0.54 0.00 0.00 174.62 177.67 1c07 h PRO 97 N 2.39 0.77 0.00 3.99 0.13 -1.96 0.41 132.00 137.73 1c07 h PRO 97 Ca -0.30 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1c07 h PRO 97 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1c07 h PRO 97 CO 0.42 1.02 0.00 0.39 -0.23 0.00 0.00 178.00 179.60 1c07 n GLU 98 N -4.04 0.03 -0.11 0.86 1.02 -1.26 -2.85 120.64 114.29 1c07 n GLU 98 Ca -0.02 0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1c07 n GLU 98 Cb 0.53 -1.57 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.63 0.66 -2.00 3.49 1.56 -0.72 0.23 117.12 118.71 1c07 n MET 99 Ca 0.03 0.11 -0.39 0.00 -0.27 0.00 0.00 57.70 57.18 1c07 n MET 99 Cb 0.18 -1.45 0.00 0.00 2.15 0.00 0.00 33.22 34.10 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 -2.45 2.51 -0.10 1.12 1.01 0.14 -4.89 121.20 118.53 1c07 s ILE 100 Ca -0.27 0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1c07 s ILE 100 Cb 0.07 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1c07 s ILE 100 CO 0.56 0.06 1.43 -2.16 0.00 0.00 0.00 174.94 174.82 1c07 s PRO 101 N -2.35 4.22 -0.06 2.79 0.04 -1.26 -4.91 135.00 133.47 1c07 s PRO 101 Ca 0.59 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 1c07 s PRO 101 Cb -0.39 -3.82 -0.11 0.00 0.04 0.00 0.00 34.50 30.23 1c07 s PRO 101 CO 0.49 -0.74 0.60 -1.00 0.04 0.00 0.00 177.00 176.40 1c07 h PRO 102 N 8.64 -0.26 0.00 0.56 0.13 -1.91 -3.53 132.00 135.63 1c07 h PRO 102 Ca -0.33 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1c07 h PRO 102 Cb 1.14 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c07 h PRO 102 CO 0.95 0.03 0.00 0.45 -0.23 0.00 0.00 178.00 179.21