#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q s SER 2 N 0.00 7.03 0.10 1.61 0.01 -1.26 -5.01 113.70 116.19 1x4q s SER 2 Ca 0.00 1.29 -0.33 0.00 1.31 0.00 0.00 55.95 58.23 1x4q s SER 2 Cb 0.00 -2.37 -0.12 0.00 0.21 0.00 0.00 66.02 63.74 1x4q s SER 2 CO 0.00 0.16 1.76 -1.20 0.41 0.00 0.00 173.24 174.37 1x4q n SER 3 N 1.22 3.62 -4.66 2.44 7.64 -1.26 -4.91 113.62 117.71 1x4q n SER 3 Ca -0.07 1.02 -0.43 0.00 1.01 0.00 0.00 58.87 60.41 1x4q n SER 3 Cb 0.51 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 1x4q n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4q s GLY 4 N 2.29 1.73 0.16 0.23 0.00 -1.26 -4.93 107.32 105.54 1x4q s GLY 4 Ca 0.83 0.34 -0.26 0.00 0.00 0.00 0.00 44.72 45.62 1x4q s GLY 4 CO 0.40 2.31 1.43 1.44 0.00 0.00 0.00 173.10 178.68 1x4q n SER 5 N 6.32 -0.90 -0.08 1.64 7.64 -1.26 -3.80 113.62 123.19 1x4q n SER 5 Ca 0.13 1.64 -0.17 0.00 1.01 0.00 0.00 58.87 61.48 1x4q n SER 5 Cb 0.46 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 1x4q n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4q n SER 6 N -5.20 1.22 0.00 6.43 7.64 -1.26 -5.12 113.62 117.33 1x4q n SER 6 Ca 0.03 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1x4q n SER 6 Cb 0.27 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 7 N 1.99 -1.53 5.50 0.23 0.00 -1.25 -5.16 105.19 104.96 1x4q n GLY 7 Ca -0.30 0.64 0.02 0.00 0.00 0.00 0.00 46.02 46.37 1x4q n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 8 N 0.00 -0.26 -0.04 1.61 0.00 -1.26 -4.77 117.12 112.39 1x4q n MET 8 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 57.70 57.80 1x4q n MET 8 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 33.22 32.86 1x4q n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4q n ALA 9 N -0.28 2.03 -2.74 3.04 0.00 0.18 -4.94 120.51 117.81 1x4q n ALA 9 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 1x4q n ALA 9 Cb 0.06 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1x4q n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x4q s LEU 10 N -5.88 3.70 0.58 0.00 1.43 -1.22 -5.04 118.68 112.25 1x4q s LEU 10 Ca -0.12 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1x4q s LEU 10 Cb 0.04 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1x4q s LEU 10 CO 0.19 0.21 0.90 -0.44 0.23 0.00 0.00 176.35 177.44 1x4q s SER 11 N -2.10 5.66 0.35 2.29 0.01 -1.26 -4.82 113.70 113.84 1x4q s SER 11 Ca 0.26 0.75 0.16 0.00 1.31 0.00 0.00 55.95 58.43 1x4q s SER 11 Cb -0.12 -1.77 1.12 0.00 0.21 0.00 0.00 66.02 65.46 1x4q s SER 11 CO 0.18 -1.02 1.66 0.50 0.41 0.00 0.00 173.24 174.97 1x4q h LYS 12 N -0.15 0.29 0.19 12.44 3.64 -1.99 -0.48 116.57 130.50 1x4q h LYS 12 Ca -0.45 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1x4q h LYS 12 Cb 1.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1x4q h LYS 12 CO 0.61 0.19 -0.09 0.07 -2.27 0.00 0.00 179.45 177.96 1x4q h ARG 13 N 0.30 -0.25 -0.89 1.90 0.11 -1.98 -2.30 114.38 111.28 1x4q h ARG 13 Ca 0.74 0.02 0.16 0.00 0.10 0.00 0.00 59.98 61.00 1x4q h ARG 13 Cb 1.75 0.06 -0.16 0.00 1.11 0.00 0.00 29.97 32.73 1x4q h ARG 13 CO -0.58 0.14 -0.29 0.93 0.10 0.00 0.00 179.97 180.27 1x4q h GLU 14 N -0.91 -0.02 0.00 0.08 4.39 -1.49 1.61 114.58 118.24 1x4q h GLU 14 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1x4q h GLU 14 Cb 0.50 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1x4q h GLU 14 CO 0.04 -0.02 0.00 -0.07 -1.16 0.00 0.00 179.01 177.81 1x4q h LEU 15 N -0.02 0.00 -0.77 1.33 3.38 -1.37 -3.07 115.31 114.79 1x4q h LEU 15 Ca 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 1x4q h LEU 15 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1x4q h LEU 15 CO -0.91 0.00 0.35 -0.78 0.09 0.00 0.00 178.44 177.19 1x4q h ASP 16 N 0.00 1.02 0.81 -0.43 1.82 0.30 -0.87 116.42 119.06 1x4q h ASP 16 Ca 0.00 -0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 56.44 1x4q h ASP 16 Cb 0.60 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1x4q h ASP 16 CO 0.00 0.88 -0.26 1.05 -1.61 0.00 0.00 179.24 179.30 1x4q h GLU 17 N 1.09 0.00 0.15 0.28 4.11 -1.33 -3.08 114.58 115.81 1x4q h GLU 17 Ca 0.26 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.38 1x4q h GLU 17 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.43 1x4q h GLU 17 CO -0.03 0.26 -1.30 -0.07 0.07 0.00 0.00 179.01 177.94 1x4q h LEU 18 N 0.00 0.88 -0.97 3.06 -0.00 -1.44 -3.23 115.31 113.60 1x4q h LEU 18 Ca -0.00 -0.85 0.09 0.00 -0.00 0.00 0.00 57.88 57.12 1x4q h LEU 18 Cb 0.73 -0.28 -0.12 0.00 -0.00 0.00 0.00 40.66 41.00 1x4q h LEU 18 CO 0.03 1.64 -0.59 0.11 -0.00 0.00 0.00 178.44 179.64 1x4q h LYS 19 N 0.24 -0.02 0.00 1.13 1.57 -1.08 1.35 116.57 119.76 1x4q h LYS 19 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1x4q h LYS 19 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 1x4q h LYS 19 CO 0.25 -0.01 0.00 -0.35 -0.57 0.00 0.00 179.45 178.77 1x4q n PRO 20 N -5.24 0.11 0.03 3.15 -0.04 -1.25 -1.30 135.00 130.45 1x4q n PRO 20 Ca 0.02 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.87 1x4q n PRO 20 Cb 0.26 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 1x4q n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1x4q n TRP 21 N -1.91 0.68 -0.03 0.54 -0.00 0.38 -4.02 117.44 113.08 1x4q n TRP 21 Ca 0.03 0.22 -0.20 0.00 -0.00 0.00 0.00 57.50 57.55 1x4q n TRP 21 Cb 0.20 -0.92 -0.13 0.00 -0.00 0.00 0.00 31.31 30.45 1x4q n TRP 21 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1x4q n ILE 22 N -2.68 1.69 0.24 5.87 5.41 0.32 -3.22 119.36 126.98 1x4q n ILE 22 Ca -0.08 -0.65 0.15 0.00 1.00 0.00 0.00 62.75 63.17 1x4q n ILE 22 Cb 0.73 -1.59 0.81 0.00 -0.71 0.00 0.00 39.64 38.88 1x4q n ILE 22 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x4q h GLU 23 N 0.05 0.00 0.00 0.38 5.08 -1.39 0.20 114.58 118.90 1x4q h GLU 23 Ca -0.46 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.60 1x4q h GLU 23 Cb 2.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.20 1x4q h GLU 23 CO 0.04 0.00 -1.75 0.36 -1.00 0.00 0.00 179.01 176.66 1x4q n LYS 24 N -4.03 0.64 -0.02 2.33 2.85 -1.26 -3.88 118.16 114.79 1x4q n LYS 24 Ca -0.01 0.28 -0.15 0.00 -1.05 0.00 0.00 58.31 57.38 1x4q n LYS 24 Cb 0.20 -1.78 -0.10 0.00 -0.65 0.00 0.00 35.03 32.70 1x4q n LYS 24 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1x4q h THR 25 N 0.00 1.46 -0.73 0.58 2.02 -1.21 -3.21 112.91 111.82 1x4q h THR 25 Ca -0.30 -1.82 0.10 0.00 0.77 0.00 0.00 66.41 65.16 1x4q h THR 25 Cb 2.03 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 70.87 1x4q h THR 25 CO 0.08 0.52 0.48 0.58 0.37 0.00 0.00 175.52 177.54 1x4q h VAL 26 N -0.25 0.92 0.00 3.16 2.07 -0.84 0.13 116.25 121.43 1x4q h VAL 26 Ca -0.03 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1x4q h VAL 26 Cb 1.01 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1x4q h VAL 26 CO 0.07 0.11 -0.21 0.50 0.02 0.00 0.00 177.57 178.05 1x4q h LYS 27 N 0.60 0.00 0.00 1.57 3.64 -1.67 -1.97 116.57 118.75 1x4q h LYS 27 Ca 0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1x4q h LYS 27 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1x4q h LYS 27 CO -0.12 0.21 -0.26 0.00 -2.27 0.00 0.00 179.45 177.01 1x4q h ARG 28 N 0.00 0.00 -0.23 1.90 2.47 -0.80 0.27 114.38 117.99 1x4q h ARG 28 Ca -0.00 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1x4q h ARG 28 Cb 0.49 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 1x4q h ARG 28 CO 0.03 0.51 -0.20 0.28 0.56 0.00 0.00 179.97 181.15 1x4q h VAL 29 N -1.00 0.47 0.00 2.04 2.07 -1.24 -2.64 116.25 115.96 1x4q h VAL 29 Ca -0.05 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.22 1x4q h VAL 29 Cb 0.63 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1x4q h VAL 29 CO -0.03 0.00 -1.29 -0.07 0.02 0.00 0.00 177.57 176.19 1x4q h LEU 30 N -0.20 0.00 0.00 2.57 3.38 -1.53 -3.48 115.31 116.05 1x4q h LEU 30 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x4q h LEU 30 Cb 0.40 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1x4q h LEU 30 CO -0.35 1.00 0.00 0.61 0.09 0.00 0.00 178.44 179.80 1x4q n GLY 31 N 1.44 1.80 0.00 0.83 0.00 0.93 -4.73 105.19 105.47 1x4q n GLY 31 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1x4q n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x4q n PHE 32 N -2.00 0.00 -1.47 1.61 1.16 -1.14 -4.86 117.46 110.75 1x4q n PHE 32 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.67 1x4q n PHE 32 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 1x4q n PHE 32 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1x4q n SER 33 N -0.26 -7.97 -3.70 5.98 3.41 -1.24 -4.89 113.62 104.95 1x4q n SER 33 Ca 0.00 1.63 -0.12 0.00 -0.26 0.00 0.00 58.87 60.12 1x4q n SER 33 Cb 0.06 -4.92 -0.10 0.00 -0.26 0.00 0.00 64.21 58.99 1x4q n SER 33 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1x4q s GLU 34 N -4.81 0.50 -0.02 4.33 2.12 -1.26 -4.90 118.70 114.66 1x4q s GLU 34 Ca 0.00 0.73 -0.26 0.00 0.36 0.00 0.00 54.97 55.80 1x4q s GLU 34 Cb 0.00 0.16 -0.20 0.00 0.26 0.00 0.00 34.13 34.35 1x4q s GLU 34 CO 0.00 -0.10 1.27 -1.00 -0.54 0.00 0.00 175.26 174.89 1x4q h PRO 35 N 6.06 0.01 -0.94 4.30 0.13 -2.00 -2.58 132.00 136.99 1x4q h PRO 35 Ca -0.30 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.95 1x4q h PRO 35 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1x4q h PRO 35 CO 0.24 0.50 0.60 0.00 -0.23 0.00 0.00 178.00 179.10 1x4q h THR 36 N -0.48 0.88 0.00 1.56 1.03 -1.98 -2.18 112.91 111.75 1x4q h THR 36 Ca 0.00 -0.29 -0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1x4q h THR 36 Cb 0.49 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.55 1x4q h THR 36 CO 0.00 0.15 -0.00 0.58 -0.01 0.00 0.00 175.52 176.24 1x4q h VAL 37 N 0.84 1.30 -0.85 0.00 2.07 -1.87 -2.29 116.25 115.44 1x4q h VAL 37 Ca 0.46 -0.90 0.21 0.00 0.82 0.00 0.00 66.70 67.30 1x4q h VAL 37 Cb 0.59 1.91 -0.15 0.00 -1.52 0.00 0.00 31.29 32.12 1x4q h VAL 37 CO -0.23 0.23 0.07 0.58 0.02 0.00 0.00 177.57 178.25 1x4q h VAL 38 N -0.39 0.25 0.58 2.57 2.07 -0.97 -1.53 116.25 118.82 1x4q h VAL 38 Ca -0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1x4q h VAL 38 Cb 0.39 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1x4q h VAL 38 CO 0.00 0.02 -0.28 0.74 0.02 0.00 0.00 177.57 178.07 1x4q h THR 39 N 0.11 0.04 -1.53 2.57 2.02 -1.47 -2.50 112.91 112.14 1x4q h THR 39 Ca 0.50 -0.43 0.49 0.00 0.77 0.00 0.00 66.41 67.73 1x4q h THR 39 Cb 0.96 0.06 -0.11 0.00 -1.74 0.00 0.00 68.15 67.32 1x4q h THR 39 CO -0.73 0.01 1.04 0.00 0.37 0.00 0.00 175.52 176.21 1x4q n ALA 40 N -2.71 1.50 -0.04 6.16 0.00 -0.79 0.60 120.51 125.22 1x4q n ALA 40 Ca -0.10 0.73 -0.12 0.00 0.00 0.00 0.00 53.44 53.96 1x4q n ALA 40 Cb 0.31 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 1x4q n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4q h ALA 41 N 1.26 -0.03 -0.90 0.00 0.00 -1.24 -2.91 119.26 115.45 1x4q h ALA 41 Ca 0.85 -0.38 0.19 0.00 0.00 0.00 0.00 54.91 55.57 1x4q h ALA 41 Cb 3.04 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.77 1x4q h ALA 41 CO -0.26 -0.08 0.59 -0.07 0.00 0.00 0.00 179.25 179.43 1x4q h LEU 42 N -0.90 0.49 -0.26 0.00 3.38 0.62 -0.24 115.31 118.41 1x4q h LEU 42 Ca -0.00 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 42 Cb 0.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1x4q h LEU 42 CO 0.00 0.21 -0.37 -1.13 0.09 0.00 0.00 178.44 177.25 1x4q h ASN 43 N 0.50 0.77 0.00 -0.43 -0.73 -1.20 -1.91 115.58 112.58 1x4q h ASN 43 Ca 0.47 -0.51 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1x4q h ASN 43 Cb 1.03 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1x4q h ASN 43 CO -0.20 1.13 0.00 0.00 -0.37 0.00 0.00 177.43 177.99 1x4q h VAL 45 N 0.00 0.78 -0.58 0.00 -1.51 -1.58 -0.27 116.25 113.09 1x4q h VAL 45 Ca 0.00 -0.23 -0.09 0.00 -1.23 0.00 0.00 66.70 65.15 1x4q h VAL 45 Cb 0.00 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 29.20 1x4q h VAL 45 CO 0.00 0.12 0.01 1.23 -1.23 0.00 0.00 177.57 177.70 1x4q h GLY 46 N 0.66 1.08 -2.39 5.19 0.00 -1.11 -2.50 103.07 103.99 1x4q h GLY 46 Ca 0.48 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1x4q h GLY 46 CO -0.23 0.71 0.07 1.17 0.00 0.00 0.00 176.54 178.25 1x4q n LYS 47 N -4.19 2.64 -1.04 4.80 0.00 0.15 0.51 118.16 121.04 1x4q n LYS 47 Ca 0.03 -1.52 -0.07 0.00 0.00 0.00 0.00 58.31 56.75 1x4q n LYS 47 Cb 0.33 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x4q n GLY 48 N 0.18 0.69 3.23 3.14 0.00 -0.91 -4.86 105.19 106.66 1x4q n GLY 48 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1x4q n GLY 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 49 N -0.81 -0.21 -4.05 1.61 2.81 -0.37 -4.98 117.12 111.12 1x4q n MET 49 Ca -0.07 -0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.50 1x4q n MET 49 Cb 0.36 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1x4q n MET 49 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x4q s ASP 50 N -1.57 5.63 0.39 7.83 1.01 -1.26 -4.79 116.67 123.90 1x4q s ASP 50 Ca 0.49 -0.04 0.23 0.00 0.71 0.00 0.00 52.55 53.95 1x4q s ASP 50 Cb -0.19 -1.52 1.37 0.00 1.01 0.00 0.00 42.92 43.59 1x4q s ASP 50 CO 0.74 0.12 1.59 0.11 0.21 0.00 0.00 175.17 177.93 1x4q h LYS 51 N 2.79 0.02 -0.18 8.23 1.57 -1.97 0.91 116.57 127.94 1x4q h LYS 51 Ca -0.47 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1x4q h LYS 51 Cb 1.18 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1x4q h LYS 51 CO 0.65 0.02 -0.10 0.87 -0.57 0.00 0.00 179.45 180.32 1x4q h LYS 52 N 0.02 0.38 0.43 3.15 1.79 -2.01 -3.01 116.57 117.33 1x4q h LYS 52 Ca 0.85 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 59.13 1x4q h LYS 52 Cb 2.35 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.99 1x4q h LYS 52 CO -0.69 0.69 -0.21 0.87 -1.08 0.00 0.00 179.45 179.04 1x4q h LYS 53 N 0.05 -0.56 -0.75 3.15 1.57 0.29 -3.24 116.57 117.08 1x4q h LYS 53 Ca 0.04 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1x4q h LYS 53 Cb 0.59 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 1x4q h LYS 53 CO 0.03 -0.37 -0.38 0.00 -0.57 0.00 0.00 179.45 178.15 1x4q n ALA 54 N -2.46 -0.32 -0.31 3.86 0.00 0.69 0.16 120.51 122.12 1x4q n ALA 54 Ca -0.07 0.68 0.16 0.00 0.00 0.00 0.00 53.44 54.21 1x4q n ALA 54 Cb 0.23 -0.20 0.34 0.00 0.00 0.00 0.00 19.45 19.82 1x4q n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4q h ALA 55 N 0.64 1.40 -0.66 0.00 0.00 -1.60 1.06 119.26 120.11 1x4q h ALA 55 Ca 0.18 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1x4q h ALA 55 Cb 0.36 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1x4q h ALA 55 CO -0.72 -0.57 0.43 0.22 0.00 0.00 0.00 179.25 178.62 1x4q h ASP 56 N 0.13 0.67 1.76 0.00 3.58 0.15 0.58 116.42 123.30 1x4q h ASP 56 Ca 0.61 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 58.01 1x4q h ASP 56 Cb 1.33 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1x4q h ASP 56 CO -0.74 0.47 -0.24 -0.74 -2.88 0.00 0.00 179.24 175.10 1x4q h HIS 57 N 0.78 0.00 -0.23 0.28 2.76 0.13 -3.17 115.15 115.71 1x4q h HIS 57 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1x4q h HIS 57 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1x4q h HIS 57 CO -0.00 0.22 0.00 1.28 -1.30 0.00 0.00 177.93 178.13 1x4q n LEU 58 N -3.15 3.20 0.37 0.26 4.77 0.11 -4.50 117.00 118.06 1x4q n LEU 58 Ca 0.03 -1.29 -0.16 0.00 -0.03 0.00 0.00 56.01 54.56 1x4q n LEU 58 Cb 0.62 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1x4q n LEU 58 CO 0.37 0.63 0.48 0.50 -1.33 0.00 0.00 177.39 178.04 1x4q h LYS 59 N 4.40 -0.91 0.00 3.23 1.63 0.13 1.01 116.57 126.07 1x4q h LYS 59 Ca 0.00 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1x4q h LYS 59 Cb 0.96 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1x4q h LYS 59 CO 0.00 -0.58 0.00 -0.35 -3.45 0.00 0.00 179.45 175.07 1x4q n PRO 60 N -5.43 0.24 -0.02 1.90 -0.04 -1.26 0.97 135.00 131.36 1x4q n PRO 60 Ca -0.13 0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1x4q n PRO 60 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1x4q n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4q n PHE 61 N -1.25 0.00 0.02 0.54 3.72 -1.10 -4.88 117.46 114.50 1x4q n PHE 61 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1x4q n PHE 61 Cb 0.11 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1x4q n PHE 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1x4q n LEU 62 N -2.09 0.02 0.00 4.37 4.77 0.34 -4.82 117.00 119.59 1x4q n LEU 62 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1x4q n LEU 62 Cb 0.52 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1x4q n LEU 62 CO 0.23 -0.43 0.00 0.47 -1.33 0.00 0.00 177.39 176.33 1x4q n ASP 63 N -2.75 0.00 0.24 -1.43 9.92 0.27 -1.94 116.55 120.87 1x4q n ASP 63 Ca 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 1x4q n ASP 63 Cb 0.11 0.00 0.41 0.00 -0.64 0.00 0.00 41.12 41.00 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1x4q h ASP 64 N 0.00 0.00 -0.33 -2.24 1.82 -1.91 -3.13 116.42 110.62 1x4q h ASP 64 Ca 0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1x4q h ASP 64 Cb 0.00 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 39.88 1x4q h ASP 64 CO 0.00 0.00 -0.28 -1.20 -1.61 0.00 0.00 179.24 176.15 1x4q n SER 65 N -3.08 2.81 0.00 2.28 7.64 -0.82 -4.78 113.62 117.67 1x4q n SER 65 Ca 0.02 -3.83 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1x4q n SER 65 Cb 0.43 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1x4q n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x4q n THR 66 N -1.06 0.00 -0.55 0.44 -1.04 -1.18 -2.60 114.28 108.28 1x4q n THR 66 Ca 0.32 0.25 0.45 0.00 -2.04 0.00 0.00 64.05 63.04 1x4q n THR 66 Cb 0.91 -1.03 0.77 0.00 -1.82 0.00 0.00 70.33 69.17 1x4q n THR 66 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x4q h LEU 67 N 0.00 0.04 0.20 -4.42 4.07 -1.87 1.10 115.31 114.43 1x4q h LEU 67 Ca 0.00 0.02 -0.33 0.00 0.08 0.00 0.00 57.88 57.65 1x4q h LEU 67 Cb 0.00 0.02 0.02 0.00 1.08 0.00 0.00 40.66 41.78 1x4q h LEU 67 CO 0.00 -0.03 -1.58 -0.09 -1.08 0.00 0.00 178.44 175.67 1x4q h ARG 68 N 0.02 0.42 0.12 1.13 9.65 -1.87 -3.24 114.38 120.61 1x4q h ARG 68 Ca 0.81 -0.72 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1x4q h ARG 68 Cb 3.14 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 31.98 1x4q h ARG 68 CO -0.07 1.33 -0.06 0.35 2.80 0.00 0.00 179.97 184.32 1x4q h PHE 69 N 0.11 -0.15 -1.59 2.20 3.04 0.13 -3.26 116.94 117.42 1x4q h PHE 69 Ca -0.28 -0.00 0.48 0.00 3.98 0.00 0.00 57.97 62.15 1x4q h PHE 69 Cb 2.11 0.05 -0.09 0.00 2.56 0.00 0.00 35.95 40.57 1x4q h PHE 69 CO 0.10 -0.09 1.11 -0.24 -2.02 0.00 0.00 178.31 177.17 1x4q h VAL 70 N -0.35 0.12 -0.83 1.41 3.04 -0.80 0.96 116.25 119.80 1x4q h VAL 70 Ca -0.02 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1x4q h VAL 70 Cb 0.12 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.44 1x4q h VAL 70 CO 0.03 0.01 0.54 -0.78 -1.01 0.00 0.00 177.57 176.36 1x4q h ASP 71 N 0.04 0.93 0.38 3.17 3.58 -1.60 -2.02 116.42 120.90 1x4q h ASP 71 Ca 0.83 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 58.03 1x4q h ASP 71 Cb 3.06 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 43.88 1x4q h ASP 71 CO -0.17 0.67 -0.96 0.11 -2.88 0.00 0.00 179.24 176.01 1x4q h LYS 72 N 1.10 0.38 0.60 0.28 1.79 0.90 -3.16 116.57 118.46 1x4q h LYS 72 Ca 0.31 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1x4q h LYS 72 Cb -0.09 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1x4q h LYS 72 CO -0.08 1.11 -0.46 1.25 -1.08 0.00 0.00 179.45 180.19 1x4q h LEU 73 N 0.21 -1.22 -0.50 2.94 5.85 -0.96 0.20 115.31 121.83 1x4q h LEU 73 Ca -0.08 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1x4q h LEU 73 Cb 1.61 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 42.92 1x4q h LEU 73 CO 0.16 -0.66 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.23 1x4q h PHE 74 N -1.03 -0.24 0.00 1.25 -1.00 -1.50 0.46 116.94 114.88 1x4q h PHE 74 Ca -0.08 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1x4q h PHE 74 Cb 0.85 0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.60 1x4q h PHE 74 CO -0.16 -0.21 0.00 1.49 -1.61 0.00 0.00 178.31 177.82 1x4q h GLU 75 N 0.01 0.00 -0.50 1.51 4.81 -1.48 -2.75 114.58 116.19 1x4q h GLU 75 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1x4q h GLU 75 Cb 0.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1x4q h GLU 75 CO -0.51 0.00 0.30 0.00 -0.73 0.00 0.00 179.01 178.07 1x4q h ALA 76 N 2.00 0.63 -1.00 2.92 0.00 0.32 0.07 119.26 124.20 1x4q h ALA 76 Ca 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.12 1x4q h ALA 76 Cb 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.71 1x4q h ALA 76 CO 0.00 0.13 0.58 0.28 0.00 0.00 0.00 179.25 180.24 1x4q h VAL 77 N 0.66 0.44 0.00 0.00 2.07 -1.41 0.60 116.25 118.62 1x4q h VAL 77 Ca 0.18 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1x4q h VAL 77 Cb -0.00 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1x4q h VAL 77 CO -0.03 0.09 -0.95 -0.33 0.02 0.00 0.00 177.57 176.36 1x4q h GLU 78 N 0.48 0.00 0.20 1.57 4.39 -1.62 -3.04 114.58 116.56 1x4q h GLU 78 Ca 0.68 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.37 1x4q h GLU 78 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1x4q h GLU 78 CO -0.53 0.01 -0.10 1.49 -1.16 0.00 0.00 179.01 178.72 1x4q h GLU 79 N 0.00 -0.26 -0.35 2.33 4.22 0.20 -0.30 114.58 120.43 1x4q h GLU 79 Ca -0.00 0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1x4q h GLU 79 Cb 1.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1x4q h GLU 79 CO 0.00 -0.05 -0.20 0.78 -2.18 0.00 0.00 179.01 177.36 1x4q h GLY 80 N -1.04 0.81 0.03 1.92 0.00 -0.60 -3.36 103.07 100.85 1x4q h GLY 80 Ca -0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1x4q h GLY 80 CO 0.05 0.68 -0.02 3.21 0.00 0.00 0.00 176.54 180.46 1x4q h ARG 81 N 0.53 -0.05 -3.81 4.80 3.08 -1.68 -3.51 114.38 113.75 1x4q h ARG 81 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1x4q h ARG 81 Cb 0.75 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1x4q h ARG 81 CO 0.06 -0.03 -0.73 0.45 -1.07 0.00 0.00 179.97 178.65 1x4q n SER 82 N -3.70 -3.12 -3.08 7.04 2.88 -0.12 -5.03 113.62 108.48 1x4q n SER 82 Ca -0.01 0.84 0.05 0.00 -1.33 0.00 0.00 58.87 58.42 1x4q n SER 82 Cb 0.02 -3.28 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 1x4q n SER 82 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4q s SER 83 N -0.34 -0.50 -0.19 -3.46 0.15 -1.26 -5.08 113.70 103.02 1x4q s SER 83 Ca -0.09 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 1x4q s SER 83 Cb 0.01 1.16 0.09 0.00 -1.71 0.00 0.00 66.02 65.56 1x4q s SER 83 CO 0.25 -0.08 0.22 -0.60 1.20 0.00 0.00 173.24 174.22 1x4q s ARG 84 N 2.72 0.17 -0.41 5.44 3.52 -1.26 -5.02 118.95 124.12 1x4q s ARG 84 Ca 0.24 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 1x4q s ARG 84 Cb -0.01 -1.10 0.46 0.00 -1.56 0.00 0.00 34.95 32.73 1x4q s ARG 84 CO -0.21 -0.61 1.44 0.72 -0.81 0.00 0.00 175.30 175.83 1x4q n HIS 85 N 5.32 2.90 -2.44 5.12 8.25 -1.26 -5.02 115.22 128.09 1x4q n HIS 85 Ca -0.05 -2.47 -0.43 0.00 -0.26 0.00 0.00 57.72 54.51 1x4q n HIS 85 Cb 0.50 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.92 1x4q n HIS 85 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x4q s SER 86 N -3.07 7.00 -0.53 0.41 0.01 -1.26 -4.99 113.70 111.27 1x4q s SER 86 Ca 0.55 1.77 -0.19 0.00 1.31 0.00 0.00 55.95 59.39 1x4q s SER 86 Cb 0.44 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 64.19 1x4q s SER 86 CO 0.02 -0.67 0.62 -0.94 0.41 0.00 0.00 173.24 172.68 1x4q s SER 87 N 1.71 6.21 0.00 2.44 1.04 -1.26 -4.62 113.70 119.22 1x4q s SER 87 Ca 0.56 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1x4q s SER 87 Cb -0.24 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1x4q s SER 87 CO 0.19 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1x4q n GLY 88 N 5.20 0.31 0.28 7.32 0.00 -1.26 -5.02 105.19 112.02 1x4q n GLY 88 Ca -0.08 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.67 1x4q n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4q h PRO 89 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.35 132.00 128.35 1x4q h PRO 89 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1x4q h PRO 89 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4q h PRO 89 CO 0.00 0.00 -0.55 0.45 -0.23 0.00 0.00 178.00 177.67 1x4q n SER 90 N -3.06 1.49 -2.94 1.44 2.88 -1.26 -5.09 113.62 107.08 1x4q n SER 90 Ca 0.00 0.23 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1x4q n SER 90 Cb 0.29 -0.53 0.01 0.00 -0.75 0.00 0.00 64.21 63.23 1x4q n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 91 N -3.95 -7.50 0.00 -3.46 7.64 -1.26 -5.29 113.62 99.81 1x4q n SER 91 Ca -0.08 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1x4q n SER 91 Cb 0.28 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64