#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 0.54 0.07 -0.78 -0.44 -1.26 -5.09 119.66 112.70 1o8t s GLN 2 Ca 0.00 -0.01 -0.05 0.00 -2.50 0.00 0.00 55.36 52.80 1o8t s GLN 2 Cb 0.00 -0.65 -0.02 0.00 -1.64 0.00 0.00 33.01 30.71 1o8t s GLN 2 CO 0.00 -0.11 0.10 1.14 0.50 0.00 0.00 175.29 176.92 1o8t s GLN 3 N 0.97 0.73 0.43 1.67 0.00 -1.26 -5.04 119.66 117.16 1o8t s GLN 3 Ca -0.10 -1.04 0.16 0.00 -0.00 0.00 0.00 55.36 54.38 1o8t s GLN 3 Cb -0.14 0.28 1.06 0.00 0.00 0.00 0.00 33.01 34.21 1o8t s GLN 3 CO -0.01 -0.20 1.91 -1.00 0.00 0.00 0.00 175.29 176.00 1o8t h PRO 4 N 2.99 0.40 -0.04 9.60 0.13 -1.89 -0.33 132.00 142.85 1o8t h PRO 4 Ca -0.34 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1o8t h PRO 4 Cb 1.17 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1o8t h PRO 4 CO 0.59 0.26 -0.64 -0.56 -0.23 0.00 0.00 178.00 177.43 1o8t h GLN 5 N 0.41 0.17 -0.11 0.86 -0.00 -1.69 -3.05 115.11 111.69 1o8t h GLN 5 Ca 0.38 -0.12 -0.09 0.00 -0.00 0.00 0.00 58.65 58.82 1o8t h GLN 5 Cb 0.89 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 28.38 1o8t h GLN 5 CO -0.12 0.75 -0.34 0.37 -0.00 0.00 0.00 178.83 179.48 1o8t h GLN 6 N 0.12 0.23 0.00 0.06 4.15 -1.28 -3.42 115.11 114.97 1o8t h GLN 6 Ca -0.01 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1o8t h GLN 6 Cb 1.15 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1o8t h GLN 6 CO 0.09 0.55 0.00 -0.25 -1.93 0.00 0.00 178.83 177.29 1o8t n ASP 7 N -4.09 0.00 0.12 -0.69 8.00 -1.02 -4.92 116.55 113.95 1o8t n ASP 7 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 1o8t n ASP 7 Cb 0.42 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.73 1o8t n ASP 7 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1o8t h GLU 8 N 0.00 0.14 -6.26 -1.24 4.39 -1.85 -3.43 114.58 106.33 1o8t h GLU 8 Ca 0.00 -0.08 -0.55 0.00 0.34 0.00 0.00 59.36 59.07 1o8t h GLU 8 Cb 0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1o8t h GLU 8 CO 0.00 0.61 1.01 1.41 -1.16 0.00 0.00 179.01 180.89 1o8t s MET 9 N -3.93 4.21 0.19 2.33 1.75 -1.25 -4.92 119.30 117.68 1o8t s MET 9 Ca -0.03 2.05 -0.03 0.00 -1.25 0.00 0.00 55.69 56.44 1o8t s MET 9 Cb 0.13 -3.87 0.12 0.00 2.84 0.00 0.00 34.83 34.05 1o8t s MET 9 CO 0.77 -0.78 1.51 -1.00 -0.65 0.00 0.00 175.02 174.87 1o8t h PRO 10 N 8.98 0.53 -6.46 4.11 0.13 -1.81 -3.32 132.00 134.16 1o8t h PRO 10 Ca -0.36 -0.34 -0.54 0.00 -0.87 0.00 0.00 66.00 63.89 1o8t h PRO 10 Cb 1.16 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1o8t h PRO 10 CO 0.95 0.94 0.64 0.45 -0.23 0.00 0.00 178.00 180.75 1o8t s SER 11 N -6.92 7.00 -0.88 1.44 0.15 -1.26 -4.72 113.70 108.51 1o8t s SER 11 Ca -0.07 2.06 -0.25 0.00 0.70 0.00 0.00 55.95 58.39 1o8t s SER 11 Cb 0.11 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1o8t s SER 11 CO 0.84 -0.55 1.36 -2.16 1.20 0.00 0.00 173.24 173.93 1o8t s PRO 12 N 1.38 3.38 -0.60 5.44 0.04 -1.26 -4.00 135.00 139.38 1o8t s PRO 12 Ca 0.60 -0.67 -0.27 0.00 0.04 0.00 0.00 61.00 60.70 1o8t s PRO 12 Cb -0.30 -4.76 -0.01 0.00 0.04 0.00 0.00 34.50 29.47 1o8t s PRO 12 CO 0.28 -2.18 1.72 0.99 0.04 0.00 0.00 177.00 177.85 1o8t s THR 13 N 5.38 3.47 0.00 1.26 2.01 -1.26 -4.45 115.64 122.05 1o8t s THR 13 Ca 0.40 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1o8t s THR 13 Cb -0.04 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1o8t s THR 13 CO 0.03 -1.04 0.00 0.49 -0.69 0.00 0.00 174.62 173.41 1o8t n PHE 14 N 11.69 -1.11 -0.22 4.92 3.72 -1.26 -4.71 117.46 130.48 1o8t n PHE 14 Ca 0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.50 1o8t n PHE 14 Cb 0.51 0.45 0.03 0.00 -0.94 0.00 0.00 39.48 39.53 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1o8t h LEU 15 N 0.00 0.82 -2.18 4.37 6.46 -2.04 -2.50 115.31 120.24 1o8t h LEU 15 Ca 0.00 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1o8t h LEU 15 Cb 0.00 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1o8t h LEU 15 CO 0.00 0.73 0.15 0.71 -0.62 0.00 0.00 178.44 179.41 1o8t h THR 16 N 0.86 0.65 -0.22 1.05 1.35 -1.91 -2.00 112.91 112.68 1o8t h THR 16 Ca 0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.05 1o8t h THR 16 Cb 0.13 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1o8t h THR 16 CO -0.03 0.00 0.03 1.56 -0.25 0.00 0.00 175.52 176.83 1o8t h GLN 17 N 0.00 0.31 -0.50 4.72 7.50 -1.80 -3.26 115.11 122.09 1o8t h GLN 17 Ca 0.08 -0.04 0.11 0.00 0.50 0.00 0.00 58.65 59.29 1o8t h GLN 17 Cb 0.37 -0.06 -0.09 0.00 0.05 0.00 0.00 27.48 27.75 1o8t h GLN 17 CO -0.00 0.32 -0.10 1.33 -1.50 0.00 0.00 178.83 178.88 1o8t n VAL 18 N -4.39 -0.21 -0.05 -0.54 0.24 -0.75 0.39 118.33 113.03 1o8t n VAL 18 Ca 0.00 1.13 -0.08 0.00 -2.04 0.00 0.00 64.34 63.35 1o8t n VAL 18 Cb 0.17 -1.58 -0.02 0.00 -1.47 0.00 0.00 33.84 30.94 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o8t h LYS 19 N 0.00 -0.23 -0.01 7.34 1.57 -1.81 -0.54 116.57 122.89 1o8t h LYS 19 Ca 0.25 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1o8t h LYS 19 Cb 0.41 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1o8t h LYS 19 CO -0.50 -0.15 -0.21 0.93 -0.57 0.00 0.00 179.45 178.95 1o8t h GLU 20 N -0.24 0.01 -0.75 3.15 3.07 -0.31 -2.50 114.58 117.01 1o8t h GLU 20 Ca 0.14 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1o8t h GLU 20 Cb 0.44 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1o8t h GLU 20 CO -0.37 0.22 0.33 0.66 -1.40 0.00 0.00 179.01 178.44 1o8t h SER 21 N 0.01 1.00 -0.25 1.42 4.64 -0.50 -2.11 113.55 117.76 1o8t h SER 21 Ca -0.00 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 60.99 1o8t h SER 21 Cb 0.37 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1o8t h SER 21 CO 0.03 0.87 -0.51 -0.07 -0.87 0.00 0.00 176.83 176.28 1o8t h LEU 22 N 1.06 0.92 0.08 5.97 4.07 -0.92 -2.78 115.31 123.70 1o8t h LEU 22 Ca 0.25 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1o8t h LEU 22 Cb 0.16 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1o8t h LEU 22 CO -0.03 1.26 -0.07 -1.28 -1.08 0.00 0.00 178.44 177.24 1o8t h SER 23 N 0.65 -0.19 0.39 -0.43 0.87 -1.24 -0.08 113.55 113.51 1o8t h SER 23 Ca 0.03 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1o8t h SER 23 Cb 1.10 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1o8t h SER 23 CO 0.11 -0.12 0.00 -1.28 -0.53 0.00 0.00 176.83 175.02 1o8t h SER 24 N -0.17 0.00 0.14 6.23 0.87 -1.43 -2.27 113.55 116.94 1o8t h SER 24 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1o8t h SER 24 Cb 0.16 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1o8t h SER 24 CO -0.02 0.00 -0.88 0.22 -0.53 0.00 0.00 176.83 175.62 1o8t h TYR 25 N 0.00 0.56 -0.42 2.24 5.03 -0.95 -3.33 116.97 120.11 1o8t h TYR 25 Ca 0.00 -0.41 -0.05 0.00 2.58 0.00 0.00 58.73 60.85 1o8t h TYR 25 Cb 0.19 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1o8t h TYR 25 CO 0.00 1.34 0.05 -1.49 -1.32 0.00 0.00 178.16 176.74 1o8t h TRP 26 N -0.35 0.66 -0.85 -3.82 -0.00 -0.61 -0.16 115.95 110.82 1o8t h TRP 26 Ca -0.16 -0.06 0.08 0.00 -0.00 0.00 0.00 58.89 58.75 1o8t h TRP 26 Cb 1.67 -0.19 -0.11 0.00 -0.00 0.00 0.00 29.16 30.53 1o8t h TRP 26 CO 0.19 0.60 -0.54 0.93 -0.00 0.00 0.00 178.44 179.62 1o8t h GLU 27 N 0.62 -0.05 -0.27 0.49 3.07 -1.53 -0.19 114.58 116.73 1o8t h GLU 27 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1o8t h GLU 27 Cb 0.32 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1o8t h GLU 27 CO 0.01 -0.03 0.00 0.45 -1.40 0.00 0.00 179.01 178.03 1o8t n SER 28 N -5.10 3.08 -0.28 1.42 2.88 -1.21 -4.41 113.62 110.00 1o8t n SER 28 Ca 0.01 -1.95 -0.05 0.00 -1.33 0.00 0.00 58.87 55.56 1o8t n SER 28 Cb 0.25 -0.17 0.06 0.00 -0.75 0.00 0.00 64.21 63.61 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o8t h ALA 29 N 4.51 0.97 -0.15 -1.46 0.00 0.90 -2.96 119.26 121.07 1o8t h ALA 29 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1o8t h ALA 29 Cb 0.92 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1o8t h ALA 29 CO 0.00 0.42 -0.20 0.87 0.00 0.00 0.00 179.25 180.34 1o8t h LYS 30 N 1.04 -0.24 -0.99 0.00 1.57 -1.76 -0.21 116.57 115.98 1o8t h LYS 30 Ca 0.27 0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.31 1o8t h LYS 30 Cb -0.06 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.18 1o8t h LYS 30 CO -0.05 -0.16 0.57 1.15 -0.57 0.00 0.00 179.45 180.39 1o8t h THR 31 N -0.25 0.54 -0.41 -0.16 2.02 -1.83 0.32 112.91 113.14 1o8t h THR 31 Ca 0.11 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1o8t h THR 31 Cb 0.41 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1o8t h THR 31 CO -0.30 0.10 0.19 0.00 0.37 0.00 0.00 175.52 175.89 1o8t h ALA 32 N 1.72 0.53 -0.26 6.16 0.00 -0.98 -0.70 119.26 125.74 1o8t h ALA 32 Ca 0.63 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.19 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1o8t h ALA 32 CO -0.48 0.11 -0.40 0.00 0.00 0.00 0.00 179.25 178.48 1o8t h ALA 33 N 1.04 -0.46 -0.51 0.00 0.00 0.80 0.45 119.26 120.58 1o8t h ALA 33 Ca 0.14 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1o8t h ALA 33 Cb 0.14 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o8t h ALA 33 CO -0.02 -0.86 0.06 0.37 0.00 0.00 0.00 179.25 178.80 1o8t h GLN 34 N -0.39 0.82 0.00 0.00 -0.00 -1.41 -2.00 115.11 112.13 1o8t h GLN 34 Ca 0.11 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1o8t h GLN 34 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.96 1o8t h GLN 34 CO -0.47 0.78 -0.09 -0.91 0.00 0.00 0.00 178.83 178.15 1o8t h ASN 35 N 0.78 0.00 -0.48 -0.69 4.21 0.47 -1.43 115.58 118.43 1o8t h ASN 35 Ca 0.16 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.73 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 1o8t h ASN 35 CO 0.01 0.09 0.20 0.25 -1.29 0.00 0.00 177.43 176.69 1o8t h LEU 36 N 0.00 0.25 -0.96 1.61 6.46 0.61 0.14 115.31 123.41 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.15 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1o8t h LEU 36 CO 0.01 0.17 0.22 1.88 -0.62 0.00 0.00 178.44 180.10 1o8t h TYR 37 N 0.40 0.99 0.76 1.25 0.05 -1.30 -2.78 116.97 116.33 1o8t h TYR 37 Ca 0.22 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1o8t h TYR 37 Cb 0.20 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1o8t h TYR 37 CO -0.14 0.78 -0.49 1.49 -1.05 0.00 0.00 178.16 178.76 1o8t h GLU 38 N 0.94 -1.13 0.00 4.88 4.22 -0.17 -2.48 114.58 120.84 1o8t h GLU 38 Ca 0.21 0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.73 1o8t h GLU 38 Cb 0.25 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1o8t h GLU 38 CO -0.01 -0.75 0.00 1.17 -2.18 0.00 0.00 179.01 177.24 1o8t n LYS 39 N -5.61 0.00 0.02 1.92 3.00 0.23 -2.50 118.16 115.21 1o8t n LYS 39 Ca -0.14 0.45 -0.13 0.00 -0.00 0.00 0.00 58.31 58.49 1o8t n LYS 39 Cb 0.49 -1.51 -0.09 0.00 0.00 0.00 0.00 35.03 33.93 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1o8t h THR 40 N 0.00 1.21 -0.56 3.15 2.02 -1.16 -3.21 112.91 114.36 1o8t h THR 40 Ca 0.00 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 1o8t h THR 40 Cb 0.05 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1o8t h THR 40 CO 0.00 0.20 0.03 1.88 0.37 0.00 0.00 175.52 178.00 1o8t h TYR 41 N -0.40 1.05 -3.80 3.16 0.05 -1.57 -3.44 116.97 112.03 1o8t h TYR 41 Ca -0.01 -0.17 -0.50 0.00 0.05 0.00 0.00 58.73 58.10 1o8t h TYR 41 Cb 0.37 -0.28 0.01 0.00 1.01 0.00 0.00 36.73 37.84 1o8t h TYR 41 CO 0.05 0.94 0.45 -0.51 -1.05 0.00 0.00 178.16 178.04 1o8t s LEU 42 N -9.40 4.57 -0.25 3.88 1.02 -1.21 -4.96 118.68 112.33 1o8t s LEU 42 Ca -0.12 2.20 0.04 0.00 0.02 0.00 0.00 54.13 56.27 1o8t s LEU 42 Cb 0.13 -3.62 0.44 0.00 0.02 0.00 0.00 46.19 43.15 1o8t s LEU 42 CO 0.84 -0.08 1.51 -0.81 0.02 0.00 0.00 176.35 177.82 1o8t n PRO 43 N 1.25 2.18 0.20 1.29 -0.04 -1.26 -4.46 135.00 134.15 1o8t n PRO 43 Ca -0.01 -1.90 0.14 0.00 -0.04 0.00 0.00 63.50 61.69 1o8t n PRO 43 Cb 0.45 -1.80 0.66 0.00 -0.04 0.00 0.00 33.50 32.78 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N 1.83 1.00 -0.67 0.55 0.00 -1.93 -3.27 119.26 116.76 1o8t h ALA 44 Ca 0.30 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1o8t h ALA 44 Cb 2.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.66 1o8t h ALA 44 CO 0.60 0.00 -0.32 0.28 0.00 0.00 0.00 179.25 179.81 1o8t h VAL 45 N 0.00 0.16 -0.12 0.00 2.07 -1.89 0.39 116.25 116.85 1o8t h VAL 45 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1o8t h VAL 45 Cb 0.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1o8t h VAL 45 CO 0.00 0.00 -0.47 0.44 0.02 0.00 0.00 177.57 177.56 1o8t h ASP 46 N -0.11 0.33 0.41 0.57 3.32 -1.97 -2.31 116.42 116.66 1o8t h ASP 46 Ca 0.27 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1o8t h ASP 46 Cb 0.56 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1o8t h ASP 46 CO -0.74 0.75 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.26 1o8t h GLU 47 N 0.25 -0.54 0.00 3.56 4.22 -1.15 -2.93 114.58 117.99 1o8t h GLU 47 Ca 0.01 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1o8t h GLU 47 Cb 0.93 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1o8t h GLU 47 CO 0.08 -0.23 -0.02 0.87 -2.18 0.00 0.00 179.01 177.53 1o8t h LYS 48 N -0.93 0.00 0.59 1.92 1.57 -0.40 0.13 116.57 119.45 1o8t h LYS 48 Ca -0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1o8t h LYS 48 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1o8t h LYS 48 CO 0.09 0.02 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.63 1o8t h LEU 49 N 0.00 -0.68 -1.45 2.94 3.38 -1.30 0.18 115.31 118.38 1o8t h LEU 49 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1o8t h LEU 49 Cb 0.06 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1o8t h LEU 49 CO 0.00 -0.43 -0.02 -0.09 0.09 0.00 0.00 178.44 178.00 1o8t h ARG 50 N -0.91 0.33 0.38 1.13 9.65 -1.32 -1.92 114.38 121.72 1o8t h ARG 50 Ca -0.08 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1o8t h ARG 50 Cb 0.61 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1o8t h ARG 50 CO 0.13 0.38 -0.37 0.22 2.80 0.00 0.00 179.97 183.14 1o8t h ASP 51 N 0.33 -0.99 0.55 -3.80 3.58 -0.61 -1.22 116.42 114.26 1o8t h ASP 51 Ca 0.07 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1o8t h ASP 51 Cb 0.25 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 1o8t h ASP 51 CO 0.01 -0.52 -0.14 -0.07 -2.88 0.00 0.00 179.24 175.64 1o8t h LEU 52 N -0.77 0.00 -0.32 2.28 4.07 -0.80 -2.87 115.31 116.91 1o8t h LEU 52 Ca -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 1o8t h LEU 52 Cb 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1o8t h LEU 52 CO -0.05 0.14 -0.08 1.88 -1.08 0.00 0.00 178.44 179.25 1o8t h TYR 53 N 0.00 0.69 -0.29 1.13 0.05 -0.64 -1.07 116.97 116.84 1o8t h TYR 53 Ca -0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 1o8t h TYR 53 Cb 0.45 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1o8t h TYR 53 CO 0.00 0.79 0.17 0.77 -1.05 0.00 0.00 178.16 178.84 1o8t h SER 54 N 0.39 0.34 -0.23 3.88 0.02 -1.03 -2.32 113.55 114.60 1o8t h SER 54 Ca 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1o8t h SER 54 Cb 0.57 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1o8t h SER 54 CO 0.03 0.30 0.12 0.11 -1.14 0.00 0.00 176.83 176.26 1o8t h LYS 55 N 0.36 0.33 0.00 3.45 1.57 -1.50 -2.51 116.57 118.27 1o8t h LYS 55 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1o8t h LYS 55 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1o8t h LYS 55 CO -0.02 0.31 0.00 0.66 -0.57 0.00 0.00 179.45 179.83 1o8t h SER 56 N 0.26 0.00 0.22 0.86 4.64 -1.04 -1.96 113.55 116.53 1o8t h SER 56 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1o8t h SER 56 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1o8t h SER 56 CO -0.01 0.00 -0.18 0.74 -0.87 0.00 0.00 176.83 176.51 1o8t h THR 57 N 0.00 0.62 0.12 2.95 2.02 -0.95 -0.23 112.91 117.43 1o8t h THR 57 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.86 1o8t h THR 57 Cb 0.12 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1o8t h THR 57 CO 0.00 0.00 -1.69 0.00 0.37 0.00 0.00 175.52 174.20 1o8t h ALA 58 N 0.34 0.29 0.79 6.16 0.00 -1.68 -3.26 119.26 121.89 1o8t h ALA 58 Ca -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.62 1o8t h ALA 58 Cb 0.37 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1o8t h ALA 58 CO -0.02 1.05 -0.38 0.00 0.00 0.00 0.00 179.25 179.90 1o8t h ALA 59 N -0.03 -1.16 0.00 0.00 0.00 -1.44 -2.94 119.26 113.69 1o8t h ALA 59 Ca -0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1o8t h ALA 59 Cb 1.87 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1o8t h ALA 59 CO 0.06 -1.08 0.00 1.98 0.00 0.00 0.00 179.25 180.21 1o8t h MET 60 N -1.17 0.00 0.00 0.00 4.05 -1.23 -2.06 114.93 114.52 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1o8t h MET 60 Cb 0.81 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1o8t h MET 60 CO 0.18 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.09 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.54 0.50 113.55 113.93 1o8t h SER 61 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1o8t h SER 61 Cb 0.08 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1o8t h SER 61 CO 0.00 0.00 -2.42 0.35 -1.14 0.00 0.00 176.83 173.62 1o8t n THR 62 N -2.66 1.53 0.29 -2.27 -2.24 -0.78 -4.14 114.28 104.02 1o8t n THR 62 Ca 0.00 -0.36 0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1o8t n THR 62 Cb 0.20 -1.88 0.85 0.00 -2.10 0.00 0.00 70.33 67.39 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -0.97 0.00 0.38 4.78 0.05 -1.56 0.22 116.97 119.87 1o8t h TYR 63 Ca -0.67 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.09 1o8t h TYR 63 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 1o8t h TYR 63 CO -0.07 0.05 -0.18 1.15 -1.05 0.00 0.00 178.16 178.07 1o8t h THR 64 N 0.00 0.40 -0.75 -2.88 2.02 -1.09 0.64 112.91 111.25 1o8t h THR 64 Ca -0.00 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1o8t h THR 64 Cb 0.31 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1o8t h THR 64 CO 0.01 0.08 0.28 1.23 0.37 0.00 0.00 175.52 177.49 1o8t h GLY 65 N -0.98 1.20 0.83 2.16 0.00 -1.68 -0.61 103.07 103.99 1o8t h GLY 65 Ca -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1o8t h GLY 65 CO 0.09 0.63 -0.39 -2.22 0.00 0.00 0.00 176.54 174.64 1o8t h ILE 66 N 1.09 0.01 -0.22 2.60 2.04 -0.97 0.14 117.51 122.21 1o8t h ILE 66 Ca 0.25 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1o8t h ILE 66 Cb 0.24 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 1o8t h ILE 66 CO -0.02 0.00 -0.33 0.15 0.00 0.00 0.00 178.15 177.96 1o8t h PHE 67 N -1.29 -0.91 0.00 1.37 3.57 0.33 0.53 116.94 120.55 1o8t h PHE 67 Ca -0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1o8t h PHE 67 Cb 0.85 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1o8t h PHE 67 CO -0.00 -0.40 -0.06 1.15 -2.23 0.00 0.00 178.31 176.78 1o8t h THR 68 N -0.35 0.27 0.04 4.41 2.02 -1.15 -2.95 112.91 115.19 1o8t h THR 68 Ca 0.12 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1o8t h THR 68 Cb 0.55 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1o8t h THR 68 CO -0.41 0.05 -0.13 -0.78 0.37 0.00 0.00 175.52 174.62 1o8t h ASP 69 N 0.00 -0.37 0.57 4.18 1.82 0.17 0.30 116.42 123.08 1o8t h ASP 69 Ca -0.00 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.60 1o8t h ASP 69 Cb 0.28 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1o8t h ASP 69 CO 0.01 -0.19 -0.41 1.56 -1.61 0.00 0.00 179.24 178.60 1o8t h GLN 70 N -0.24 0.00 0.22 0.28 7.50 -1.42 -1.60 115.11 119.85 1o8t h GLN 70 Ca 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 1o8t h GLN 70 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1o8t h GLN 70 CO -0.10 0.41 -0.11 0.28 -1.50 0.00 0.00 178.83 177.81 1o8t h VAL 71 N 0.00 0.85 -0.60 -0.54 2.07 -1.28 -2.52 116.25 114.23 1o8t h VAL 71 Ca -0.00 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1o8t h VAL 71 Cb 0.80 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1o8t h VAL 71 CO 0.05 0.15 0.40 0.25 0.02 0.00 0.00 177.57 178.45 1o8t h LEU 72 N -0.69 0.45 -0.92 2.57 6.46 -0.38 -0.69 115.31 122.12 1o8t h LEU 72 Ca -0.03 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1o8t h LEU 72 Cb 0.48 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1o8t h LEU 72 CO 0.05 0.29 0.59 -1.28 -0.62 0.00 0.00 178.44 177.47 1o8t h SER 73 N 0.51 0.96 0.97 1.25 0.87 -1.03 0.48 113.55 117.56 1o8t h SER 73 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1o8t h SER 73 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1o8t h SER 73 CO -0.08 0.64 0.00 -0.37 -0.53 0.00 0.00 176.83 176.49 1o8t h VAL 74 N 1.11 0.00 -0.53 2.23 -1.51 -0.70 -2.87 116.25 113.99 1o8t h VAL 74 Ca 0.39 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 65.40 1o8t h VAL 74 Cb 0.09 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.49 1o8t h VAL 74 CO -0.15 0.00 0.08 0.25 -1.23 0.00 0.00 177.57 176.52 1o8t h LEU 75 N 0.00 0.79 -0.23 4.19 6.46 -0.67 -0.60 115.31 125.26 1o8t h LEU 75 Ca 0.00 -0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 57.46 1o8t h LEU 75 Cb 0.48 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1o8t h LEU 75 CO 0.00 0.81 -0.40 0.11 -0.62 0.00 0.00 178.44 178.34 1o8t h LYS 76 N 0.80 0.67 -0.30 1.25 6.56 -1.49 0.24 116.57 124.30 1o8t h LYS 76 Ca 0.17 -0.42 -0.04 0.00 -1.06 0.00 0.00 60.65 59.30 1o8t h LYS 76 Cb 0.37 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1o8t h LYS 76 CO 0.01 1.04 0.05 0.78 -2.06 0.00 0.00 179.45 179.27 1o8t h GLY 77 N 0.38 0.53 0.37 3.86 0.00 -1.52 -3.31 103.07 103.39 1o8t h GLY 77 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1o8t h GLY 77 CO 0.09 0.33 -0.14 0.83 0.00 0.00 0.00 176.54 177.65 1o8t h GLU 78 N 0.32 -0.38 -0.03 4.80 5.08 -1.17 -3.52 114.58 119.69 1o8t h GLU 78 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1o8t h GLU 78 Cb 0.34 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1o8t h GLU 78 CO 0.01 -0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.30