#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 -1.14 0.53 1.61 1.04 -1.26 -5.14 113.70 109.34 1x4q s SER 2 Ca 0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1x4q s SER 2 Cb 0.00 2.15 0.00 0.00 0.10 0.00 0.00 66.02 68.27 1x4q s SER 2 CO 0.00 -0.22 0.00 -0.24 0.98 0.00 0.00 173.24 173.76 1x4q n SER 3 N 5.40 -6.64 0.00 7.02 2.88 -1.26 -5.08 113.62 115.94 1x4q n SER 3 Ca -0.08 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x4q n SER 3 Cb 0.50 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 4 N -3.89 1.40 0.62 0.46 0.00 -1.26 -5.13 105.19 97.39 1x4q n GLY 4 Ca -0.08 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4q n SER 5 N 0.00 -3.46 -0.06 1.61 2.88 -1.26 -4.84 113.62 108.49 1x4q n SER 5 Ca 0.00 0.58 -0.04 0.00 -1.33 0.00 0.00 58.87 58.08 1x4q n SER 5 Cb 0.00 -2.10 -0.13 0.00 -0.75 0.00 0.00 64.21 61.23 1x4q n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4q n SER 6 N -3.08 0.93 0.00 -3.46 3.41 -1.26 -5.08 113.62 105.08 1x4q n SER 6 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1x4q n SER 6 Cb 0.29 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4q n GLY 7 N 1.87 3.65 0.08 5.00 0.00 -1.26 -5.04 105.19 109.48 1x4q n GLY 7 Ca -0.21 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1x4q n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x4q h MET 8 N 0.00 0.00 -4.16 1.61 -1.53 -1.91 -3.50 114.93 105.44 1x4q h MET 8 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1x4q h MET 8 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 1x4q h MET 8 CO 0.00 0.45 -0.85 0.00 0.14 0.00 0.00 176.91 176.65 1x4q n ALA 9 N -3.29 -2.15 -2.28 0.39 0.00 -1.26 -4.99 120.51 106.94 1x4q n ALA 9 Ca -0.14 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.44 1x4q n ALA 9 Cb 0.38 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.49 3.76 0.53 0.00 1.43 -1.25 -5.05 118.68 117.61 1x4q s LEU 10 Ca 0.00 0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 54.01 1x4q s LEU 10 Cb 0.00 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1x4q s LEU 10 CO 0.00 -0.46 0.85 -0.44 0.23 0.00 0.00 176.35 176.52 1x4q s SER 11 N -3.66 6.07 0.29 2.29 0.01 -1.26 -4.82 113.70 112.62 1x4q s SER 11 Ca 0.48 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.70 1x4q s SER 11 Cb -0.10 -2.12 0.73 0.00 0.21 0.00 0.00 66.02 64.73 1x4q s SER 11 CO 0.38 -0.75 1.68 0.50 0.41 0.00 0.00 173.24 175.46 1x4q h LYS 12 N 0.04 0.32 -0.20 12.44 3.64 -1.99 0.98 116.57 131.80 1x4q h LYS 12 Ca -0.46 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 1x4q h LYS 12 Cb 1.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1x4q h LYS 12 CO 0.61 0.21 -0.41 0.07 -2.27 0.00 0.00 179.45 177.67 1x4q h ARG 13 N 0.33 0.64 0.10 1.90 0.11 -1.99 -2.23 114.38 113.24 1x4q h ARG 13 Ca 0.56 -0.41 0.02 0.00 0.10 0.00 0.00 59.98 60.25 1x4q h ARG 13 Cb 1.09 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.18 1x4q h ARG 13 CO -0.57 1.03 -0.36 0.93 0.10 0.00 0.00 179.97 181.10 1x4q h GLU 14 N 0.33 -0.56 -0.53 0.08 5.08 -1.23 -1.94 114.58 115.81 1x4q h GLU 14 Ca 0.01 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1x4q h GLU 14 Cb 1.01 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1x4q h GLU 14 CO 0.09 -0.37 0.22 -0.07 -1.00 0.00 0.00 179.01 177.88 1x4q h LEU 15 N -0.58 0.68 -1.17 1.33 3.38 -1.22 -2.51 115.31 115.22 1x4q h LEU 15 Ca 0.03 -0.08 0.32 0.00 0.09 0.00 0.00 57.88 58.24 1x4q h LEU 15 Cb 0.62 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.06 1x4q h LEU 15 CO -0.23 0.61 0.65 0.44 0.09 0.00 0.00 178.44 180.01 1x4q h ASP 16 N 0.75 0.47 0.56 -0.43 5.19 -0.70 1.07 116.42 123.33 1x4q h ASP 16 Ca 0.18 0.15 -0.13 0.00 -0.62 0.00 0.00 57.03 56.61 1x4q h ASP 16 Cb 0.14 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1x4q h ASP 16 CO -0.02 -0.05 -0.60 -0.33 -3.12 0.00 0.00 179.24 175.11 1x4q h GLU 17 N 0.34 0.05 -0.10 3.56 4.39 -1.32 -3.15 114.58 118.35 1x4q h GLU 17 Ca 0.70 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 60.15 1x4q h GLU 17 Cb 1.73 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.40 1x4q h GLU 17 CO -0.47 0.64 -0.83 -0.07 -1.16 0.00 0.00 179.01 177.11 1x4q h LEU 18 N 0.03 0.81 -0.90 1.33 -0.00 0.10 -3.22 115.31 113.47 1x4q h LEU 18 Ca -0.01 -0.56 0.08 0.00 -0.00 0.00 0.00 57.88 57.39 1x4q h LEU 18 Cb 1.08 -0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 41.39 1x4q h LEU 18 CO 0.08 1.35 -0.53 0.29 -0.00 0.00 0.00 178.44 179.63 1x4q n LYS 19 N -3.88 -0.39 0.17 1.13 5.02 0.03 0.17 118.16 120.41 1x4q n LYS 19 Ca -0.07 1.37 0.13 0.00 -2.02 0.00 0.00 58.31 57.72 1x4q n LYS 19 Cb 0.77 -2.02 0.55 0.00 -0.02 0.00 0.00 35.03 34.31 1x4q n LYS 19 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x4q h PRO 20 N 0.00 0.00 0.00 1.97 0.13 -1.71 -0.35 132.00 132.04 1x4q h PRO 20 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 1x4q h PRO 20 Cb 0.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1x4q h PRO 20 CO -0.84 0.00 -1.13 2.35 -0.23 0.00 0.00 178.00 178.15 1x4q h TRP 21 N 0.00 0.00 0.07 1.56 7.01 0.18 -3.32 115.95 121.44 1x4q h TRP 21 Ca 0.00 0.00 -0.37 0.00 2.11 0.00 0.00 58.89 60.63 1x4q h TRP 21 Cb 0.39 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 1x4q h TRP 21 CO 0.00 0.37 -2.20 -0.89 -2.79 0.00 0.00 178.44 172.94 1x4q n ILE 22 N -2.87 1.65 -0.09 2.65 5.41 0.31 -3.49 119.36 122.93 1x4q n ILE 22 Ca -0.05 -0.63 0.10 0.00 1.00 0.00 0.00 62.75 63.17 1x4q n ILE 22 Cb 0.73 -1.54 0.47 0.00 -0.71 0.00 0.00 39.64 38.60 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 0.04 0.45 0.15 0.38 5.08 -1.24 0.85 114.58 120.29 1x4q h GLU 23 Ca -0.49 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.55 1x4q h GLU 23 Cb 1.99 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 31.14 1x4q h GLU 23 CO 0.01 0.30 -1.35 1.57 -1.00 0.00 0.00 179.01 178.55 1x4q h LYS 24 N 0.47 0.32 0.54 2.33 2.10 -1.74 -3.30 116.57 117.30 1x4q h LYS 24 Ca 0.27 -0.54 -0.03 0.00 -2.00 0.00 0.00 60.65 58.35 1x4q h LYS 24 Cb 0.44 0.20 0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1x4q h LYS 24 CO -0.08 1.24 -0.26 1.15 -2.00 0.00 0.00 179.45 179.51 1x4q h THR 25 N 0.09 0.24 -1.15 0.07 2.02 -1.33 -2.96 112.91 109.89 1x4q h THR 25 Ca -0.18 -0.43 0.38 0.00 0.77 0.00 0.00 66.41 66.95 1x4q h THR 25 Cb 2.02 0.34 -0.14 0.00 -1.74 0.00 0.00 68.15 68.64 1x4q h THR 25 CO 0.21 0.04 0.71 0.58 0.37 0.00 0.00 175.52 177.42 1x4q h VAL 26 N -1.07 0.22 -0.27 3.16 2.07 -1.03 1.34 116.25 120.65 1x4q h VAL 26 Ca -0.07 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1x4q h VAL 26 Cb 0.63 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1x4q h VAL 26 CO 0.12 0.03 -0.21 0.50 0.02 0.00 0.00 177.57 178.04 1x4q h LYS 27 N 0.19 0.51 -0.03 1.57 3.64 -1.61 -1.28 116.57 119.55 1x4q h LYS 27 Ca 0.77 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.88 1x4q h LYS 27 Cb 2.12 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.91 1x4q h LYS 27 CO -0.50 0.69 -0.35 0.00 -2.27 0.00 0.00 179.45 177.02 1x4q h ARG 28 N 0.45 0.30 0.31 1.90 2.47 0.18 1.51 114.38 121.50 1x4q h ARG 28 Ca 0.07 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1x4q h ARG 28 Cb 0.62 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1x4q h ARG 28 CO 0.04 0.95 -0.15 0.28 0.56 0.00 0.00 179.97 181.65 1x4q h VAL 29 N -0.26 0.70 0.08 2.04 2.07 -1.01 -3.20 116.25 116.67 1x4q h VAL 29 Ca -0.03 -0.05 -0.28 0.00 0.82 0.00 0.00 66.70 67.16 1x4q h VAL 29 Cb 1.04 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1x4q h VAL 29 CO 0.07 0.01 -1.38 -0.07 0.02 0.00 0.00 177.57 176.22 1x4q h LEU 30 N -0.45 0.27 0.00 2.57 3.38 -1.35 -3.48 115.31 116.25 1x4q h LEU 30 Ca -0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1x4q h LEU 30 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x4q h LEU 30 CO 0.07 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.50 1x4q n GLY 31 N 1.56 2.89 0.00 0.83 0.00 0.51 -4.76 105.19 106.22 1x4q n GLY 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.50 1.61 1.16 -1.16 -4.85 117.46 111.72 1x4q n PHE 32 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1x4q n PHE 32 Cb 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 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 -1.52 -2.72 -3.75 5.98 3.41 -1.26 -4.87 113.62 108.90 1x4q n SER 33 Ca 0.00 0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1x4q n SER 33 Cb 0.06 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 62.81 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 -4.29 0.32 0.03 4.33 2.56 -1.26 -4.92 118.70 115.47 1x4q s GLU 34 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 54.97 55.24 1x4q s GLU 34 Cb 0.00 0.08 -0.16 0.00 2.00 0.00 0.00 34.13 36.05 1x4q s GLU 34 CO 0.00 -0.08 1.33 -1.00 -0.56 0.00 0.00 175.26 174.94 1x4q h PRO 35 N 6.20 0.28 -0.70 4.30 0.13 -1.99 -2.56 132.00 137.64 1x4q h PRO 35 Ca -0.31 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1x4q h PRO 35 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1x4q h PRO 35 CO 0.33 0.68 0.46 0.00 -0.23 0.00 0.00 178.00 179.24 1x4q h THR 36 N -0.12 1.05 -0.11 1.56 1.03 -1.99 -2.47 112.91 111.86 1x4q h THR 36 Ca 0.02 -0.27 -0.04 0.00 -0.01 0.00 0.00 66.41 66.11 1x4q h THR 36 Cb 0.63 0.21 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 1x4q h THR 36 CO 0.03 0.14 -0.08 0.58 -0.01 0.00 0.00 175.52 176.18 1x4q h VAL 37 N 0.78 1.34 -0.86 0.00 2.07 -1.88 -2.54 116.25 115.16 1x4q h VAL 37 Ca 0.29 -1.19 0.21 0.00 0.82 0.00 0.00 66.70 66.84 1x4q h VAL 37 Cb 0.18 1.90 -0.13 0.00 -1.52 0.00 0.00 31.29 31.72 1x4q h VAL 37 CO -0.09 0.34 0.31 0.58 0.02 0.00 0.00 177.57 178.73 1x4q h VAL 38 N -0.14 0.44 0.04 2.57 2.07 -1.02 -1.15 116.25 119.07 1x4q h VAL 38 Ca 0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1x4q h VAL 38 Cb 0.58 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1x4q h VAL 38 CO 0.02 0.06 -0.02 0.74 0.02 0.00 0.00 177.57 178.39 1x4q h THR 39 N 0.33 1.26 -0.61 2.57 2.02 -1.49 -2.39 112.91 114.60 1x4q h THR 39 Ca 0.53 -1.03 0.18 0.00 0.77 0.00 0.00 66.41 66.86 1x4q h THR 39 Cb 1.01 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1x4q h THR 39 CO -0.56 0.26 0.68 0.00 0.37 0.00 0.00 175.52 176.27 1x4q h ALA 40 N 0.40 2.38 0.00 6.16 0.00 -0.80 -0.33 119.26 127.08 1x4q h ALA 40 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1x4q h ALA 40 Cb 0.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x4q h ALA 40 CO 0.01 -0.99 -0.49 0.00 0.00 0.00 0.00 179.25 177.78 1x4q h ALA 41 N 1.22 0.10 -0.92 0.00 0.00 -1.17 -3.15 119.26 115.34 1x4q h ALA 41 Ca 0.29 -0.73 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1x4q h ALA 41 Cb 1.64 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.66 1x4q h ALA 41 CO -0.00 0.28 0.59 -0.07 0.00 0.00 0.00 179.25 180.05 1x4q h LEU 42 N -1.00 0.62 -0.38 0.00 3.38 -0.59 -0.37 115.31 116.97 1x4q h LEU 42 Ca -0.13 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1x4q h LEU 42 Cb 1.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1x4q h LEU 42 CO -0.08 0.28 -0.29 -1.13 0.09 0.00 0.00 178.44 177.32 1x4q h ASN 43 N 0.64 0.91 0.52 -0.43 -0.73 -1.34 -0.71 115.58 114.43 1x4q h ASN 43 Ca 0.48 -0.44 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1x4q h ASN 43 Cb 0.86 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1x4q h ASN 43 CO -0.23 1.16 -0.41 0.00 -0.37 0.00 0.00 177.43 177.58 1x4q h VAL 45 N -0.90 0.90 -0.01 0.00 -1.51 -1.50 0.03 116.25 113.26 1x4q h VAL 45 Ca -0.07 -0.57 -0.20 0.00 -1.23 0.00 0.00 66.70 64.64 1x4q h VAL 45 Cb 0.75 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1x4q h VAL 45 CO 0.01 0.15 -0.86 1.23 -1.23 0.00 0.00 177.57 176.87 1x4q h GLY 46 N 0.62 0.30 -2.45 5.19 0.00 -0.67 -3.12 103.07 102.94 1x4q h GLY 46 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1x4q h GLY 46 CO 0.02 0.45 0.00 1.17 0.00 0.00 0.00 176.54 178.18 1x4q n LYS 47 N -3.71 3.14 -1.21 4.80 0.00 0.21 -3.84 118.16 117.55 1x4q n LYS 47 Ca -0.04 -2.09 -0.09 0.00 0.00 0.00 0.00 58.31 56.08 1x4q n LYS 47 Cb 0.79 -1.79 -0.04 0.00 0.00 0.00 0.00 35.03 34.00 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 0.81 0.86 3.45 3.14 0.00 -0.94 -4.83 105.19 107.68 1x4q n GLY 48 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.60 0.45 -3.53 1.61 2.81 -0.05 -4.84 117.12 112.97 1x4q n MET 49 Ca -0.09 0.18 -0.31 0.00 -1.81 0.00 0.00 57.70 55.67 1x4q n MET 49 Cb 0.53 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.22 6.51 0.37 7.83 1.11 -1.26 -4.77 116.67 125.24 1x4q s ASP 50 Ca 0.67 0.70 0.20 0.00 0.18 0.00 0.00 52.55 54.30 1x4q s ASP 50 Cb -0.42 -2.13 1.32 0.00 1.07 0.00 0.00 42.92 42.75 1x4q s ASP 50 CO 0.56 -0.04 1.59 0.11 1.18 0.00 0.00 175.17 178.56 1x4q h LYS 51 N 2.45 0.03 -0.10 8.23 1.57 -1.97 0.77 116.57 127.54 1x4q h LYS 51 Ca -0.47 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1x4q h LYS 51 Cb 1.17 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x4q h LYS 51 CO 0.70 0.02 0.01 0.87 -0.57 0.00 0.00 179.45 180.48 1x4q h LYS 52 N 0.03 0.18 0.42 3.15 1.79 -2.00 -2.76 116.57 117.38 1x4q h LYS 52 Ca 0.84 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 59.23 1x4q h LYS 52 Cb 2.18 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.82 1x4q h LYS 52 CO -0.75 0.41 -0.20 0.87 -1.08 0.00 0.00 179.45 178.70 1x4q h LYS 53 N -0.08 -0.54 -0.79 3.15 1.57 -0.00 -3.18 116.57 116.69 1x4q h LYS 53 Ca 0.03 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1x4q h LYS 53 Cb 0.33 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.65 1x4q h LYS 53 CO 0.00 -0.36 -0.38 0.00 -0.57 0.00 0.00 179.45 178.15 1x4q n ALA 54 N -2.44 -0.27 -0.28 3.86 0.00 0.74 0.12 120.51 122.24 1x4q n ALA 54 Ca -0.07 0.74 0.09 0.00 0.00 0.00 0.00 53.44 54.20 1x4q n ALA 54 Cb 0.22 -0.25 0.22 0.00 0.00 0.00 0.00 19.45 19.63 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 0.81 0.99 -0.83 0.00 0.00 -1.55 0.64 119.26 119.32 1x4q h ALA 55 Ca 0.21 0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.50 1x4q h ALA 55 Cb 0.41 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1x4q h ALA 55 CO -0.77 -0.45 0.54 0.22 0.00 0.00 0.00 179.25 178.79 1x4q h ASP 56 N 0.13 0.60 1.13 0.00 1.82 0.96 0.50 116.42 121.55 1x4q h ASP 56 Ca 0.48 0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 57.00 1x4q h ASP 56 Cb 0.91 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 1x4q h ASP 56 CO -0.69 0.32 -0.72 -0.74 -1.61 0.00 0.00 179.24 175.80 1x4q h HIS 57 N 0.64 0.00 -0.01 0.28 2.76 0.47 -3.13 115.15 116.16 1x4q h HIS 57 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1x4q h HIS 57 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1x4q h HIS 57 CO -0.00 0.72 -0.12 1.28 -1.30 0.00 0.00 177.93 178.50 1x4q n LEU 58 N -3.36 1.44 0.48 0.26 4.77 0.13 -4.30 117.00 116.41 1x4q n LEU 58 Ca 0.01 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.33 1x4q n LEU 58 Cb 0.79 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 1x4q n LEU 58 CO 0.43 0.25 0.57 0.50 -1.33 0.00 0.00 177.39 177.81 1x4q h LYS 59 N 2.07 -1.18 0.00 3.23 1.63 -0.05 1.80 116.57 124.07 1x4q h LYS 59 Ca 0.00 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1x4q h LYS 59 Cb 0.55 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1x4q h LYS 59 CO 0.00 -0.78 0.00 -0.35 -3.45 0.00 0.00 179.45 174.87 1x4q n PRO 60 N -5.62 0.23 -0.00 1.90 -0.04 -1.26 0.11 135.00 130.32 1x4q n PRO 60 Ca -0.16 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1x4q n PRO 60 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.26 0.00 0.00 0.54 3.72 -0.93 -4.89 117.46 114.64 1x4q n PHE 61 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1x4q n PHE 61 Cb 0.11 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.78 -0.00 0.00 4.37 4.77 0.60 -4.85 117.00 120.11 1x4q n LEU 62 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1x4q n LEU 62 Cb 0.23 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1x4q n LEU 62 CO 0.19 -0.50 0.00 0.47 -1.33 0.00 0.00 177.39 176.22 1x4q n ASP 63 N -2.51 0.00 0.20 -1.43 8.00 0.31 -1.78 116.55 119.34 1x4q n ASP 63 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1x4q n ASP 63 Cb 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.60 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1x4q h ASP 64 N 0.00 0.00 -0.28 -2.24 3.58 -1.91 -3.00 116.42 112.57 1x4q h ASP 64 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1x4q h ASP 64 Cb 0.00 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.95 1x4q h ASP 64 CO 0.00 0.00 -0.28 -1.20 -2.88 0.00 0.00 179.24 174.88 1x4q n SER 65 N -2.73 2.54 0.00 2.28 7.64 -0.74 -4.76 113.62 117.85 1x4q n SER 65 Ca 0.02 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1x4q n SER 65 Cb 0.34 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.08 0.00 -0.42 0.44 -1.04 -1.13 -2.83 114.28 108.21 1x4q n THR 66 Ca 0.30 0.33 0.38 0.00 -2.04 0.00 0.00 64.05 63.02 1x4q n THR 66 Cb 0.90 -1.18 0.73 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.09 0.23 -4.42 3.38 -1.87 0.66 115.31 113.38 1x4q h LEU 67 Ca 0.00 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 1x4q h LEU 67 Cb 0.00 0.02 0.04 0.00 0.09 0.00 0.00 40.66 40.80 1x4q h LEU 67 CO 0.00 -0.01 -1.38 -0.09 0.09 0.00 0.00 178.44 177.05 1x4q h ARG 68 N 0.06 0.53 0.07 1.13 2.43 -1.86 -3.19 114.38 113.56 1x4q h ARG 68 Ca 0.68 -0.88 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1x4q h ARG 68 Cb 2.55 0.32 0.00 0.00 -0.42 0.00 0.00 29.97 32.42 1x4q h ARG 68 CO -0.09 1.42 -0.03 0.35 -1.51 0.00 0.00 179.97 180.10 1x4q h PHE 69 N 0.11 -0.09 -1.69 2.20 3.04 0.23 -3.30 116.94 117.46 1x4q h PHE 69 Ca -0.24 -0.00 0.51 0.00 3.98 0.00 0.00 57.97 62.22 1x4q h PHE 69 Cb 2.08 0.03 -0.09 0.00 2.56 0.00 0.00 35.95 40.53 1x4q h PHE 69 CO 0.14 -0.05 1.18 -0.24 -2.02 0.00 0.00 178.31 177.31 1x4q h VAL 70 N -0.30 0.07 -0.69 1.41 3.04 -0.45 0.96 116.25 120.29 1x4q h VAL 70 Ca -0.01 -0.01 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 1x4q h VAL 70 Cb 0.07 0.05 -0.04 0.00 -2.01 0.00 0.00 31.29 29.36 1x4q h VAL 70 CO 0.02 0.00 0.43 -0.78 -1.01 0.00 0.00 177.57 176.23 1x4q h ASP 71 N 0.02 0.71 0.37 3.17 1.82 -1.62 -2.34 116.42 118.54 1x4q h ASP 71 Ca 0.87 -0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 57.26 1x4q h ASP 71 Cb 3.26 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 43.13 1x4q h ASP 71 CO -0.16 0.49 -1.06 0.11 -1.61 0.00 0.00 179.24 177.01 1x4q h LYS 72 N 0.84 0.42 0.06 0.28 1.79 0.86 -3.27 116.57 117.54 1x4q h LYS 72 Ca 0.27 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1x4q h LYS 72 Cb 0.01 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1x4q h LYS 72 CO -0.11 1.18 -0.11 1.25 -1.08 0.00 0.00 179.45 180.58 1x4q h LEU 73 N 0.20 -0.33 -0.89 2.94 5.85 -0.98 0.45 115.31 122.56 1x4q h LEU 73 Ca -0.11 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.87 1x4q h LEU 73 Cb 1.72 0.12 -0.16 0.00 0.37 0.00 0.00 40.66 42.71 1x4q h LEU 73 CO 0.18 -0.13 0.05 -0.26 -0.34 0.00 0.00 178.44 177.95 1x4q h PHE 74 N -0.18 0.01 0.00 1.25 -1.00 -1.58 1.42 116.94 116.85 1x4q h PHE 74 Ca -0.01 0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 1x4q h PHE 74 Cb 0.17 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1x4q h PHE 74 CO -0.25 -0.33 -0.27 1.49 -1.61 0.00 0.00 178.31 177.35 1x4q h GLU 75 N 0.08 0.00 -0.54 1.51 4.81 -1.50 -3.03 114.58 115.90 1x4q h GLU 75 Ca 0.52 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1x4q h GLU 75 Cb 1.02 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.32 1x4q h GLU 75 CO -0.79 0.27 0.07 0.00 -0.73 0.00 0.00 179.01 177.83 1x4q h ALA 76 N 1.73 0.59 -1.10 2.92 0.00 0.67 0.16 119.26 124.24 1x4q h ALA 76 Ca -0.00 0.13 0.33 0.00 0.00 0.00 0.00 54.91 55.37 1x4q h ALA 76 Cb 0.56 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1x4q h ALA 76 CO 0.03 -0.34 0.68 0.28 0.00 0.00 0.00 179.25 179.90 1x4q h VAL 77 N 0.19 0.35 0.00 0.00 2.07 -1.45 0.75 116.25 118.16 1x4q h VAL 77 Ca 0.28 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1x4q h VAL 77 Cb 0.41 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1x4q h VAL 77 CO -0.40 0.06 -1.24 -0.62 0.02 0.00 0.00 177.57 175.39 1x4q n GLU 78 N -4.80 0.62 0.12 1.57 1.02 -0.16 -3.12 120.64 115.88 1x4q n GLU 78 Ca 0.31 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.49 1x4q n GLU 78 Cb 1.05 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 30.64 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x4q h GLU 79 N 0.00 -0.37 -0.17 3.49 4.81 0.31 0.47 114.58 123.11 1x4q h GLU 79 Ca -0.06 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1x4q h GLU 79 Cb 1.20 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1x4q h GLU 79 CO 0.01 -0.17 -0.32 0.78 -0.73 0.00 0.00 179.01 178.58 1x4q h GLY 80 N -1.07 0.36 0.00 1.92 0.00 -0.74 -3.35 103.07 100.19 1x4q h GLY 80 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1x4q h GLY 80 CO 0.07 0.28 -0.32 0.54 0.00 0.00 0.00 176.54 177.11 1x4q n ARG 81 N -4.09 0.28 -0.54 4.80 1.74 -1.18 -5.10 116.66 112.57 1x4q n ARG 81 Ca -0.01 0.43 0.07 0.00 -0.77 0.00 0.00 57.85 57.57 1x4q n ARG 81 Cb 0.43 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1x4q n ARG 81 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x4q n SER 82 N -3.73 -3.19 -4.87 0.55 2.88 0.16 -4.98 113.62 100.44 1x4q n SER 82 Ca -0.04 0.23 -0.23 0.00 -1.33 0.00 0.00 58.87 57.49 1x4q n SER 82 Cb 0.16 -1.64 -0.02 0.00 -0.75 0.00 0.00 64.21 61.97 1x4q n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4q s SER 83 N -4.12 4.81 -0.05 -3.46 1.04 -1.26 -4.96 113.70 105.69 1x4q s SER 83 Ca 0.00 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 1x4q s SER 83 Cb 0.00 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1x4q s SER 83 CO 0.00 -0.84 0.08 -1.14 0.98 0.00 0.00 173.24 172.32 1x4q n ARG 84 N -1.62 -4.18 -4.28 4.02 3.00 -1.26 -5.00 116.66 107.34 1x4q n ARG 84 Ca 0.02 3.15 -0.34 0.00 -0.00 0.00 0.00 57.85 60.67 1x4q n ARG 84 Cb 0.63 -4.18 -0.11 0.00 0.00 0.00 0.00 32.46 28.81 1x4q n ARG 84 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1x4q s HIS 85 N -0.52 3.13 0.10 -0.14 3.76 -1.26 -5.07 115.29 115.29 1x4q s HIS 85 Ca -0.09 -0.06 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 1x4q s HIS 85 Cb 0.01 -1.95 -0.10 0.00 1.11 0.00 0.00 32.58 31.65 1x4q s HIS 85 CO 0.25 0.15 1.79 0.45 -0.85 0.00 0.00 174.74 176.53 1x4q s SER 86 N 0.03 6.47 -0.09 1.40 0.15 -1.26 -4.17 113.70 116.24 1x4q s SER 86 Ca 0.02 2.68 -0.06 0.00 0.70 0.00 0.00 55.95 59.29 1x4q s SER 86 Cb -0.13 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1x4q s SER 86 CO 0.02 -0.98 0.13 -0.24 1.20 0.00 0.00 173.24 173.37 1x4q n SER 87 N 5.83 -3.71 -4.87 5.45 2.88 -1.26 -4.96 113.62 112.98 1x4q n SER 87 Ca 0.17 1.31 -0.37 0.00 -1.33 0.00 0.00 58.87 58.66 1x4q n SER 87 Cb 0.39 -3.98 -0.06 0.00 -0.75 0.00 0.00 64.21 59.81 1x4q n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4q s GLY 88 N -0.42 2.28 0.35 0.46 0.00 -1.26 -4.99 107.32 103.73 1x4q s GLY 88 Ca -0.14 -0.49 0.14 0.00 0.00 0.00 0.00 44.72 44.22 1x4q s GLY 88 CO 0.39 -0.21 1.75 -0.56 0.00 0.00 0.00 173.10 174.47 1x4q h PRO 89 N 4.74 0.00 -0.85 2.90 0.13 -1.96 -3.28 132.00 133.69 1x4q h PRO 89 Ca -0.53 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 1x4q h PRO 89 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1x4q h PRO 89 CO 0.60 0.44 -0.26 0.43 -0.23 0.00 0.00 178.00 178.98 1x4q n SER 90 N -3.88 -0.41 -3.68 1.44 7.64 -1.26 -3.75 113.62 109.73 1x4q n SER 90 Ca -0.01 1.46 -0.28 0.00 1.01 0.00 0.00 58.87 61.04 1x4q n SER 90 Cb 0.49 -0.39 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 1x4q n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4q s SER 91 N -5.26 3.34 0.00 6.43 0.01 -1.24 -5.33 113.70 111.65 1x4q s SER 91 Ca -0.12 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.02 1x4q s SER 91 Cb 0.20 -0.58 0.23 0.00 0.21 0.00 0.00 66.02 66.08 1x4q s SER 91 CO 0.63 -0.37 0.71 0.61 0.41 0.00 0.00 173.24 175.23