#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 n TRP 10 N 0.00 2.27 -0.34 -1.42 4.27 -1.13 -4.29 117.44 116.80 1c07 n TRP 10 Ca 0.00 0.11 -0.10 0.00 -3.89 0.00 0.00 57.50 53.62 1c07 n TRP 10 Cb 0.00 -2.62 0.09 0.00 -1.36 0.00 0.00 31.31 27.42 1c07 n TRP 10 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 1c07 n VAL 11 N 4.99 0.00 -2.05 -1.67 0.24 0.89 -4.77 118.33 115.96 1c07 n VAL 11 Ca 0.23 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1c07 n VAL 11 Cb 0.26 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 1c07 n VAL 11 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1c07 n VAL 12 N -3.61-11.77 0.12 3.34 0.31 -1.26 -4.99 118.33 100.46 1c07 n VAL 12 Ca 0.05 3.11 0.00 0.00 -0.01 0.00 0.00 64.34 67.49 1c07 n VAL 12 Cb 0.19 -4.91 0.00 0.00 -0.91 0.00 0.00 33.84 28.21 1c07 n VAL 12 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c07 n SER 13 N 1.79 -2.00 -3.44 4.52 2.88 -1.26 -4.82 113.62 111.29 1c07 n SER 13 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1c07 n SER 13 Cb 0.00 2.08 0.00 0.00 -0.75 0.00 0.00 64.21 65.54 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 -3.01 2.46 -0.15 -1.46 -0.04 -1.26 -3.84 135.00 127.71 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 0.18 0.00 -0.04 0.00 0.00 33.50 33.64 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 0.32 -0.14 0.55 0.00 -1.26 0.04 120.51 117.02 1c07 n ALA 15 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1c07 n ALA 15 Cb 0.00 -0.39 -0.07 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 -0.22 -0.37 0.00 5.08 -1.98 1.38 114.58 118.46 1c07 h GLU 16 Ca 0.31 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.78 1c07 h GLU 16 Cb 0.73 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1c07 h GLU 16 CO -0.38 -0.15 0.26 -0.22 -1.00 0.00 0.00 179.01 177.53 1c07 h LYS 17 N -0.23 0.07 0.07 2.33 3.11 -0.49 -0.67 116.57 120.76 1c07 h LYS 17 Ca 0.07 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1c07 h LYS 17 Cb 0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1c07 h LYS 17 CO -0.48 0.05 -0.03 0.00 -2.81 0.00 0.00 179.45 176.17 1c07 h ALA 18 N 1.81 -0.09 -0.46 5.00 0.00 0.56 0.45 119.26 126.53 1c07 h ALA 18 Ca 0.18 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1c07 h ALA 18 Cb 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1c07 h ALA 18 CO -0.01 -0.30 0.31 -0.22 0.00 0.00 0.00 179.25 179.03 1c07 h LYS 19 N -0.59 0.29 0.00 0.00 1.63 0.23 -0.43 116.57 117.70 1c07 h LYS 19 Ca -0.01 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.58 1c07 h LYS 19 Cb 0.51 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1c07 h LYS 19 CO 0.01 0.19 -1.05 1.88 -3.45 0.00 0.00 179.45 177.03 1c07 h TYR 20 N 0.29 0.00 -0.07 1.91 0.05 -0.99 -2.81 116.97 115.35 1c07 h TYR 20 Ca 0.21 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.84 1c07 h TYR 20 Cb 0.44 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1c07 h TYR 20 CO -0.00 0.81 -0.61 0.22 -1.05 0.00 0.00 178.16 177.53 1c07 h ASP 21 N 0.00 0.28 1.19 3.88 1.82 0.15 0.46 116.42 124.20 1c07 h ASP 21 Ca -0.08 -0.16 -0.16 0.00 -0.39 0.00 0.00 57.03 56.25 1c07 h ASP 21 Cb 1.69 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.59 1c07 h ASP 21 CO 0.09 0.82 -0.84 -0.33 -1.61 0.00 0.00 179.24 177.38 1c07 h GLU 22 N 0.18 0.00 0.18 0.28 5.08 -1.38 -3.32 114.58 115.60 1c07 h GLU 22 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1c07 h GLU 22 Cb 1.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.39 1c07 h GLU 22 CO 0.10 0.63 -1.32 0.82 -1.00 0.00 0.00 179.01 178.23 1c07 h ILE 23 N 0.00 1.23 -0.50 3.13 2.04 -1.31 -3.22 117.51 118.88 1c07 h ILE 23 Ca -0.04 -2.55 0.15 0.00 1.00 0.00 0.00 64.86 63.41 1c07 h ILE 23 Cb 1.56 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 40.59 1c07 h ILE 23 CO 0.08 0.77 0.61 0.15 0.00 0.00 0.00 178.15 179.76 1c07 h PHE 24 N -0.11 0.00 0.00 1.37 3.57 -0.17 2.85 116.94 124.45 1c07 h PHE 24 Ca -0.25 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.16 1c07 h PHE 24 Cb 1.92 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1c07 h PHE 24 CO 0.14 0.00 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.74 1c07 h LEU 25 N 0.00 0.00 0.00 0.59 3.38 -1.65 0.24 115.31 117.87 1c07 h LEU 25 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1c07 h LEU 25 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1c07 h LEU 25 CO -0.00 0.41 -1.19 0.29 0.09 0.00 0.00 178.44 178.04 1c07 n LYS 26 N -3.61 0.49 -0.08 1.13 5.02 0.86 -4.47 118.16 117.50 1c07 n LYS 26 Ca -0.00 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 1c07 n LYS 26 Cb 0.52 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.53 -0.18 2.02 0.16 -3.41 112.91 111.43 1c07 h THR 27 Ca 0.00 -1.55 -0.36 0.00 0.77 0.00 0.00 66.41 65.27 1c07 h THR 27 Cb 0.59 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1c07 h THR 27 CO 0.00 0.15 1.12 -0.62 0.37 0.00 0.00 175.52 176.54 1c07 s ASP 28 N -6.22 5.19 -0.00 4.18 2.15 0.83 -4.22 116.67 118.58 1c07 s ASP 28 Ca -0.20 -1.61 0.01 0.00 0.43 0.00 0.00 52.55 51.18 1c07 s ASP 28 Cb 0.03 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1c07 s ASP 28 CO 0.38 -2.89 1.02 0.29 -0.17 0.00 0.00 175.17 173.80 1c07 n LYS 29 N 8.36 1.10 -0.17 4.34 5.02 -1.26 -3.28 118.16 132.27 1c07 n LYS 29 Ca 0.44 -0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.63 1c07 n LYS 29 Cb 0.47 -1.05 0.14 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.36 2.86 -1.68 4.39 8.00 -1.26 -4.94 116.55 123.57 1c07 n ASP 30 Ca 0.01 -2.05 -0.09 0.00 0.71 0.00 0.00 54.79 53.38 1c07 n ASP 30 Cb 0.05 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.35 -1.64 -0.61 -1.24 2.81 -1.21 -4.73 117.12 110.86 1c07 n MET 31 Ca 0.11 0.48 0.08 0.00 -1.81 0.00 0.00 57.70 56.55 1c07 n MET 31 Cb 0.43 -4.78 0.34 0.00 -0.71 0.00 0.00 33.22 28.49 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 -0.59 4.56 -1.20 7.83 5.68 -1.26 -4.88 116.55 126.68 1c07 n ASP 32 Ca -0.09 -2.49 -0.16 0.00 -0.50 0.00 0.00 54.79 51.56 1c07 n ASP 32 Cb 0.39 -0.58 -0.07 0.00 -1.14 0.00 0.00 41.12 39.72 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 0.98 1.51 2.95 6.12 0.00 -1.26 -4.91 105.19 110.58 1c07 n GLY 33 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c07 s PHE 34 N -2.38 -0.70 -0.03 1.61 2.19 -1.26 -3.71 117.98 113.70 1c07 s PHE 34 Ca 0.00 0.86 -0.21 0.00 0.33 0.00 0.00 56.93 57.91 1c07 s PHE 34 Cb 0.00 0.00 -0.05 0.00 -1.31 0.00 0.00 43.02 41.66 1c07 s PHE 34 CO 0.00 -0.63 0.60 0.54 1.83 0.00 0.00 175.22 177.56 1c07 s VAL 35 N 2.51 4.98 0.29 3.12 0.11 0.52 -4.63 120.40 127.29 1c07 s VAL 35 Ca 0.09 1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 60.32 1c07 s VAL 35 Cb -0.15 -3.94 -0.06 0.00 -1.53 0.00 0.00 36.38 30.70 1c07 s VAL 35 CO -0.14 0.37 0.59 -0.55 -3.33 0.00 0.00 175.10 172.03 1c07 s SER 36 N 0.14 6.50 0.60 3.54 0.15 -1.26 0.26 113.70 123.64 1c07 s SER 36 Ca 0.32 0.83 0.28 0.00 0.70 0.00 0.00 55.95 58.08 1c07 s SER 36 Cb -0.18 -2.19 1.11 0.00 -1.71 0.00 0.00 66.02 63.05 1c07 s SER 36 CO 0.16 -0.20 1.48 1.23 1.20 0.00 0.00 173.24 177.12 1c07 h GLY 37 N 1.84 0.00 1.19 9.45 0.00 -1.93 0.40 103.07 114.02 1c07 h GLY 37 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1c07 h GLY 37 CO 0.67 0.00 0.09 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 0.20 115.31 121.03 1c07 h LEU 38 Ca 0.43 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1c07 h LEU 38 Cb 2.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 1c07 h LEU 38 CO -0.00 0.95 -0.42 -0.33 0.09 0.00 0.00 178.44 178.72 1c07 h GLU 39 N 0.94 0.00 0.00 1.13 5.08 -0.46 -3.31 114.58 117.95 1c07 h GLU 39 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 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 0.42 0.01 1.55 -1.00 0.00 0.00 179.01 180.00 1c07 n VAL 40 N -4.62 1.24 0.09 3.13 3.14 -1.04 -3.06 118.33 117.20 1c07 n VAL 40 Ca -0.11 0.69 -0.05 0.00 -2.96 0.00 0.00 64.34 61.91 1c07 n VAL 40 Cb 0.32 -1.69 -0.02 0.00 -1.06 0.00 0.00 33.84 31.39 1c07 n VAL 40 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1c07 h ARG 41 N 0.00 -0.26 -1.37 1.45 2.43 -0.68 0.32 114.38 116.27 1c07 h ARG 41 Ca 0.00 0.02 0.40 0.00 -0.81 0.00 0.00 59.98 59.59 1c07 h ARG 41 Cb 0.02 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1c07 h ARG 41 CO 0.00 -0.17 0.96 0.93 -1.51 0.00 0.00 179.97 180.17 1c07 h GLU 42 N -0.27 0.08 -0.31 0.20 4.39 -1.74 1.01 114.58 117.94 1c07 h GLU 42 Ca -0.02 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1c07 h GLU 42 Cb 0.22 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1c07 h GLU 42 CO 0.00 0.05 -0.33 0.82 -1.16 0.00 0.00 179.01 178.40 1c07 h ILE 43 N 0.08 1.29 0.00 3.13 2.04 -1.35 -2.94 117.51 119.76 1c07 h ILE 43 Ca 0.71 -1.50 -0.15 0.00 1.00 0.00 0.00 64.86 64.92 1c07 h ILE 43 Cb 2.56 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 40.15 1c07 h ILE 43 CO -0.13 0.49 -0.70 -0.26 0.00 0.00 0.00 178.15 177.54 1c07 h PHE 44 N 0.54 0.00 0.00 1.37 0.04 0.47 -2.67 116.94 116.69 1c07 h PHE 44 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1c07 h PHE 44 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1c07 h PHE 44 CO 0.07 0.70 0.00 -0.07 -0.60 0.00 0.00 178.31 178.41 1c07 h LEU 45 N 0.00 0.00 0.00 1.54 3.38 -0.48 0.20 115.31 119.95 1c07 h LEU 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1c07 h LEU 45 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1c07 h LEU 45 CO 0.09 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1c07 n LYS 46 N -2.84 0.19 0.17 1.13 5.02 -1.01 -3.13 118.16 117.70 1c07 n LYS 46 Ca -0.01 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1c07 n LYS 46 Cb 0.16 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1c07 n LYS 46 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1c07 h THR 47 N 0.00 0.54 0.00 -0.18 1.35 -0.72 -3.47 112.91 110.44 1c07 h THR 47 Ca 0.00 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1c07 h THR 47 Cb 0.39 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1c07 h THR 47 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1c07 n GLY 48 N 1.16 2.68 3.36 5.82 0.00 -1.18 -4.79 105.19 112.23 1c07 n GLY 48 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1c07 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c07 n LEU 49 N 0.00 -1.80 0.00 0.99 4.32 -1.26 -5.01 117.00 114.24 1c07 n LEU 49 Ca 0.00 -0.10 -0.15 0.00 -0.02 0.00 0.00 56.01 55.74 1c07 n LEU 49 Cb 0.00 -1.08 0.10 0.00 -1.62 0.00 0.00 43.42 40.82 1c07 n LEU 49 CO 0.00 -3.18 0.44 -0.81 -1.22 0.00 0.00 177.39 172.62 1c07 n PRO 50 N -3.04 -0.56 0.02 3.23 -0.04 -1.26 -4.95 135.00 128.39 1c07 n PRO 50 Ca 0.02 -1.12 -0.02 0.00 -0.04 0.00 0.00 63.50 62.34 1c07 n PRO 50 Cb 0.59 -0.67 -0.01 0.00 -0.04 0.00 0.00 33.50 33.37 1c07 n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1c07 h SER 51 N -0.84 -0.13 -0.17 3.54 0.02 -2.00 -3.21 113.55 110.77 1c07 h SER 51 Ca -0.22 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1c07 h SER 51 Cb 0.62 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1c07 h SER 51 CO 0.16 0.28 -0.30 0.74 -1.14 0.00 0.00 176.83 176.56 1c07 h THR 52 N -0.88 0.00 -0.99 -2.27 2.02 -1.99 -0.51 112.91 108.28 1c07 h THR 52 Ca -0.02 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.47 1c07 h THR 52 Cb 0.11 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.34 1c07 h THR 52 CO 0.03 0.00 0.16 0.25 0.37 0.00 0.00 175.52 176.33 1c07 h LEU 53 N -0.26 -0.26 -0.69 2.58 5.85 -1.98 1.03 115.31 121.59 1c07 h LEU 53 Ca 0.03 0.27 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1c07 h LEU 53 Cb 0.34 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1c07 h LEU 53 CO -0.29 -0.37 0.44 -0.07 -0.34 0.00 0.00 178.44 177.81 1c07 h LEU 54 N 0.02 0.72 -0.73 2.25 4.07 -1.12 0.66 115.31 121.18 1c07 h LEU 54 Ca 0.66 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.52 1c07 h LEU 54 Cb 1.48 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1c07 h LEU 54 CO -0.87 0.51 -0.04 0.00 -1.08 0.00 0.00 178.44 176.95 1c07 h ALA 55 N 1.28 0.93 -0.48 1.53 0.00 0.16 0.17 119.26 122.86 1c07 h ALA 55 Ca 0.27 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1c07 h ALA 55 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1c07 h ALA 55 CO -0.10 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 180.99 1c07 h HIS 56 N 0.85 0.97 0.00 0.00 -0.00 0.24 -2.09 115.15 115.11 1c07 h HIS 56 Ca 0.15 -0.19 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1c07 h HIS 56 Cb 0.56 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1c07 h HIS 56 CO 0.03 0.93 -0.35 0.82 -0.00 0.00 0.00 177.93 179.36 1c07 h ILE 57 N 0.72 1.23 -0.41 6.26 2.04 0.61 -1.74 117.51 126.23 1c07 h ILE 57 Ca 0.13 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1c07 h ILE 57 Cb 0.58 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1c07 h ILE 57 CO 0.03 0.35 0.13 -0.25 0.00 0.00 0.00 178.15 178.41 1c07 h TRP 58 N 0.00 0.66 -0.13 1.37 2.91 -0.02 -0.99 115.95 119.75 1c07 h TRP 58 Ca -0.00 -0.06 -0.13 0.00 1.13 0.00 0.00 58.89 59.82 1c07 h TRP 58 Cb 0.63 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 1c07 h TRP 58 CO 0.00 0.60 -0.49 1.03 -1.03 0.00 0.00 178.44 178.56 1c07 h SER 59 N 0.52 0.36 0.67 2.65 0.87 -1.14 1.15 113.55 118.62 1c07 h SER 59 Ca 0.13 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1c07 h SER 59 Cb 0.25 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1c07 h SER 59 CO -0.00 0.80 -0.06 0.25 -0.53 0.00 0.00 176.83 177.28 1c07 h LEU 60 N 0.27 0.00 0.00 2.23 5.85 -0.88 -3.05 115.31 119.73 1c07 h LEU 60 Ca 0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 1c07 h LEU 60 Cb 0.96 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1c07 h LEU 60 CO 0.08 0.06 -1.92 0.00 -0.34 0.00 0.00 178.44 176.32 1c07 n ASP 62 N -2.48 6.19 -0.40 0.00 -0.08 0.39 -4.58 116.55 115.59 1c07 n ASP 62 Ca -0.21 -2.53 0.39 0.00 -1.51 0.00 0.00 54.79 50.93 1c07 n ASP 62 Cb 0.91 -1.45 0.76 0.00 2.34 0.00 0.00 41.12 43.69 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1c07 h THR 63 N 2.25 0.31 0.00 5.18 1.35 -1.81 1.78 112.91 121.97 1c07 h THR 63 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1c07 h THR 63 Cb 1.17 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1c07 h THR 63 CO 0.65 0.00 0.05 0.11 -0.25 0.00 0.00 175.52 176.08 1c07 h LYS 64 N 0.00 0.00 -6.96 4.72 1.79 -1.89 -3.45 116.57 110.77 1c07 h LYS 64 Ca 0.64 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.58 1c07 h LYS 64 Cb 2.60 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 33.18 1c07 h LYS 64 CO -0.01 0.00 -0.87 -0.25 -1.08 0.00 0.00 179.45 177.24 1c07 n ASP 65 N -2.65 -2.03 0.00 0.86 9.92 0.61 -4.81 116.55 118.45 1c07 n ASP 65 Ca -0.02 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 1c07 n ASP 65 Cb 0.10 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c07 n GLY 67 N -0.31 2.94 3.59 0.00 0.00 -1.26 -5.01 105.19 105.14 1c07 n GLY 67 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1c07 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c07 s LYS 68 N -0.61 1.95 -0.24 1.61 -2.85 -1.26 -4.13 119.74 114.21 1c07 s LYS 68 Ca 0.00 -2.17 -0.04 0.00 -1.00 0.00 0.00 55.97 52.76 1c07 s LYS 68 Cb 0.00 -1.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.67 1c07 s LYS 68 CO 0.00 -0.31 -0.02 -0.51 0.10 0.00 0.00 175.35 174.61 1c07 s LEU 69 N -3.67 3.15 0.00 2.77 1.43 0.74 -4.76 118.68 118.34 1c07 s LEU 69 Ca 0.23 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1c07 s LEU 69 Cb 0.05 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.58 1c07 s LEU 69 CO 0.12 -0.08 0.20 -1.54 0.23 0.00 0.00 176.35 175.28 1c07 n SER 70 N 4.79 -1.92 0.00 2.29 3.41 -1.26 -0.36 113.62 120.57 1c07 n SER 70 Ca -0.17 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1c07 n SER 70 Cb 0.49 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1c07 n SER 70 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1c07 n LYS 71 N -2.53 0.00 0.29 4.33 0.00 -1.24 -2.25 118.16 116.76 1c07 n LYS 71 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.47 1c07 n LYS 71 Cb 0.12 -0.73 0.70 0.00 0.00 0.00 0.00 35.03 35.12 1c07 n LYS 71 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1c07 h ASP 72 N 0.00 0.00 -0.09 3.14 3.04 -1.95 -0.08 116.42 120.48 1c07 h ASP 72 Ca 0.00 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.56 1c07 h ASP 72 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1c07 h ASP 72 CO 0.00 0.00 -0.83 1.56 -2.04 0.00 0.00 179.24 177.93 1c07 h GLN 73 N 0.00 0.72 0.00 4.15 1.08 -1.84 -2.97 115.11 116.24 1c07 h GLN 73 Ca 0.00 -0.66 -0.02 0.00 -1.45 0.00 0.00 58.65 56.53 1c07 h GLN 73 Cb 0.64 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1c07 h GLN 73 CO 0.00 1.26 -0.08 0.35 -0.95 0.00 0.00 178.83 179.41 1c07 h PHE 74 N 0.41 0.00 0.00 2.96 3.57 -0.55 -0.23 116.94 123.10 1c07 h PHE 74 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1c07 h PHE 74 Cb 1.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1c07 h PHE 74 CO 0.10 0.08 0.00 0.00 -2.23 0.00 0.00 178.31 176.26 1c07 n ALA 75 N -2.21 2.20 0.06 2.41 0.00 -1.13 -3.46 120.51 118.39 1c07 n ALA 75 Ca -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1c07 n ALA 75 Cb 0.22 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.08 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 0.51 -0.62 0.00 6.46 -0.98 -3.36 115.31 117.32 1c07 h LEU 76 Ca 0.00 -0.79 0.05 0.00 -0.12 0.00 0.00 57.88 57.02 1c07 h LEU 76 Cb 0.57 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 1c07 h LEU 76 CO 0.00 1.67 0.34 0.00 -0.62 0.00 0.00 178.44 179.83 1c07 h ALA 77 N 0.25 0.82 0.00 1.25 0.00 -1.57 -0.41 119.26 119.61 1c07 h ALA 77 Ca -0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1c07 h ALA 77 Cb 2.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1c07 h ALA 77 CO 0.16 0.02 -0.01 0.74 0.00 0.00 0.00 179.25 180.17 1c07 h PHE 78 N 0.64 0.00 0.00 0.00 -1.00 -1.72 0.02 116.94 114.89 1c07 h PHE 78 Ca 0.27 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 1c07 h PHE 78 Cb 0.16 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1c07 h PHE 78 CO -0.08 0.01 -0.01 1.25 -1.61 0.00 0.00 178.31 177.87 1c07 h HIS 79 N 0.00 0.00 0.00 -0.55 2.76 -1.21 -2.18 115.15 113.97 1c07 h HIS 79 Ca -0.00 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.80 1c07 h HIS 79 Cb 0.02 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.91 1c07 h HIS 79 CO 0.00 0.01 -2.38 1.28 -1.30 0.00 0.00 177.93 175.54 1c07 n LEU 80 N -3.12 0.35 0.38 0.26 4.77 -0.04 -4.43 117.00 115.16 1c07 n LEU 80 Ca -0.02 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1c07 n LEU 80 Cb 0.17 0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1c07 n LEU 80 CO 0.23 0.54 0.60 0.40 -1.33 0.00 0.00 177.39 177.84 1c07 h ILE 81 N 0.00 0.28 -1.51 -0.08 2.04 -1.02 -2.44 117.51 114.78 1c07 h ILE 81 Ca -0.55 -0.08 0.49 0.00 1.00 0.00 0.00 64.86 65.73 1c07 h ILE 81 Cb 2.21 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 38.47 1c07 h ILE 81 CO 0.02 0.01 1.02 -1.20 0.00 0.00 0.00 178.15 177.99 1c07 n SER 82 N -5.48 0.14 0.18 1.72 7.64 -0.86 0.23 113.62 117.20 1c07 n SER 82 Ca -0.14 1.23 0.03 0.00 1.01 0.00 0.00 58.87 61.01 1c07 n SER 82 Cb 0.39 -0.61 0.35 0.00 -1.01 0.00 0.00 64.21 63.33 1c07 n SER 82 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1c07 h GLN 83 N 0.00 0.00 0.00 1.43 4.20 -1.65 -2.83 115.11 116.26 1c07 h GLN 83 Ca 0.87 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.58 1c07 h GLN 83 Cb 3.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.81 1c07 h GLN 83 CO -0.32 0.40 -0.51 1.17 -0.67 0.00 0.00 178.83 178.90 1c07 n LYS 84 N -3.86 0.02 -0.07 1.46 3.00 0.64 0.29 118.16 119.64 1c07 n LYS 84 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.24 1c07 n LYS 84 Cb 0.45 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 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 0.00 3.14 3.38 -1.21 -3.29 115.31 117.33 1c07 h LEU 85 Ca 0.00 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 1c07 h LEU 85 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1c07 h LEU 85 CO 0.00 0.80 -2.15 -0.38 0.09 0.00 0.00 178.44 176.80 1c07 n ILE 86 N -4.62 0.73 0.82 1.22 2.08 -1.15 -4.41 119.36 114.03 1c07 n ILE 86 Ca -0.09 -0.66 0.08 0.00 0.56 0.00 0.00 62.75 62.64 1c07 n ILE 86 Cb 0.27 -0.26 -0.07 0.00 -0.75 0.00 0.00 39.64 38.83 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 -2.49 1.33 -1.42 0.38 4.76 -1.05 -4.94 118.16 114.72 1c07 n LYS 87 Ca -0.19 -0.22 -0.11 0.00 -2.87 0.00 0.00 58.31 54.92 1c07 n LYS 87 Cb 0.86 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 32.68 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 0.95 3.81 0.72 0.00 0.72 -4.82 105.19 107.94 1c07 n GLY 88 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.02 4.58 0.70 -0.61 1.01 0.84 -4.76 121.20 120.95 1c07 s ILE 89 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 60.65 61.88 1c07 s ILE 89 Cb 0.00 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1c07 s ILE 89 CO 0.00 0.40 1.09 1.51 0.00 0.00 0.00 174.94 177.94 1c07 s ASP 90 N -1.36 5.45 0.82 3.58 -4.77 -1.26 -2.86 116.67 116.26 1c07 s ASP 90 Ca 0.36 1.12 -0.10 0.00 -3.30 0.00 0.00 52.55 50.63 1c07 s ASP 90 Cb -0.19 -1.92 0.09 0.00 -1.09 0.00 0.00 42.92 39.81 1c07 s ASP 90 CO 0.22 -1.34 1.11 -2.16 0.70 0.00 0.00 175.17 173.70 1c07 s PRO 91 N -5.35 1.84 -0.78 2.11 0.04 -1.26 -4.83 135.00 126.76 1c07 s PRO 91 Ca 0.58 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1c07 s PRO 91 Cb -0.11 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1c07 s PRO 91 CO 0.52 -1.98 2.12 -0.35 0.04 0.00 0.00 177.00 177.35 1c07 n PRO 92 N -3.74 1.94 0.00 0.56 -0.04 -1.26 -4.85 135.00 127.61 1c07 n PRO 92 Ca 0.10 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1c07 n PRO 92 Cb 0.53 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.99 0.00 -2.52 0.54 8.25 -1.26 -4.37 115.22 119.85 1c07 n HIS 93 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1c07 n HIS 93 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 -3.12 1.59 0.24 -1.26 -4.89 118.33 110.88 1c07 n VAL 94 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1c07 n VAL 94 Cb 0.00 -0.92 0.01 0.00 -1.47 0.00 0.00 33.84 31.46 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 3.74 0.29 1.34 1.43 -1.26 -4.98 118.68 119.24 1c07 s LEU 95 Ca 0.00 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1c07 s LEU 95 Cb 0.00 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1c07 s LEU 95 CO 0.00 -0.63 0.11 0.42 0.23 0.00 0.00 176.35 176.48 1c07 s THR 96 N -2.44 0.58 0.22 5.49 -4.23 -1.26 -5.03 115.64 108.98 1c07 s THR 96 Ca 0.48 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1c07 s THR 96 Cb -0.10 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1c07 s THR 96 CO 0.36 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.60 1c07 h PRO 97 N 2.27 0.61 0.00 3.99 0.13 -1.97 -0.69 132.00 136.33 1c07 h PRO 97 Ca -0.37 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1c07 h PRO 97 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c07 h PRO 97 CO 0.59 0.87 0.00 1.49 -0.23 0.00 0.00 178.00 180.73 1c07 h GLU 98 N 0.51 0.00 0.00 0.86 4.81 -1.97 -1.61 114.58 117.18 1c07 h GLU 98 Ca 0.05 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 1c07 h GLU 98 Cb 0.85 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1c07 h GLU 98 CO 0.07 0.00 -2.01 -0.12 -0.73 0.00 0.00 179.01 176.22 1c07 n MET 99 N -2.83 0.66 -2.73 1.92 1.56 -0.73 0.30 117.12 115.27 1c07 n MET 99 Ca -0.01 0.02 -0.43 0.00 -0.27 0.00 0.00 57.70 57.01 1c07 n MET 99 Cb 0.13 -1.61 -0.03 0.00 2.15 0.00 0.00 33.22 33.87 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 -2.86 4.55 0.75 1.12 1.01 -0.34 -4.58 121.20 120.85 1c07 s ILE 100 Ca -0.07 1.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.90 1c07 s ILE 100 Cb 0.09 -4.37 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1c07 s ILE 100 CO 0.84 -0.51 1.08 -2.16 0.00 0.00 0.00 174.94 174.20 1c07 s PRO 101 N 3.56 2.45 -0.79 2.79 0.04 -1.26 -4.53 135.00 137.26 1c07 s PRO 101 Ca 0.41 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 1c07 s PRO 101 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1c07 s PRO 101 CO 0.17 -1.38 1.76 -1.25 0.04 0.00 0.00 177.00 176.33 1c07 s PRO 102 N -5.14 2.81 0.00 0.56 0.04 -1.26 -5.07 135.00 126.94 1c07 s PRO 102 Ca 0.60 -0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.63 1c07 s PRO 102 Cb -0.14 -4.74 0.05 0.00 0.04 0.00 0.00 34.50 29.72 1c07 s PRO 102 CO 0.54 -2.82 0.71 -1.13 0.04 0.00 0.00 177.00 174.35