#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yev n LEU 2 N 0.00 3.70 -4.96 6.55 4.77 -1.26 -5.01 117.00 120.79 1yev n LEU 2 Ca 0.00 0.79 -0.22 0.00 -0.03 0.00 0.00 56.01 56.55 1yev n LEU 2 Cb 0.00 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 39.64 1yev n LEU 2 CO 0.00 -0.06 0.32 -0.94 -1.33 0.00 0.00 177.39 175.38 1yev s SER 3 N 5.10 5.61 0.24 -1.43 1.04 -1.26 -4.93 113.70 118.07 1yev s SER 3 Ca 0.93 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 57.48 1yev s SER 3 Cb -0.52 -1.28 0.28 0.00 0.10 0.00 0.00 66.02 64.60 1yev s SER 3 CO 0.45 -0.88 1.87 -0.65 0.98 0.00 0.00 173.24 175.01 1yev h PRO 4 N 0.26 1.04 -0.65 4.02 0.11 -1.98 0.67 132.00 135.46 1yev h PRO 4 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1yev h PRO 4 Cb 1.27 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1yev h PRO 4 CO 0.55 0.69 0.24 0.00 -0.21 0.00 0.00 178.00 179.26 1yev h ALA 5 N 1.37 1.18 -0.20 -0.75 0.00 -1.98 0.11 119.26 118.99 1yev h ALA 5 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yev h ALA 5 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1yev h ALA 5 CO -0.13 0.58 0.13 -0.44 0.00 0.00 0.00 179.25 179.39 1yev h ASP 6 N 0.95 0.24 -0.80 0.00 3.32 -1.68 0.17 116.42 118.61 1yev h ASP 6 Ca 0.22 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.32 1yev h ASP 6 Cb 0.22 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1yev h ASP 6 CO -0.01 0.19 0.52 0.11 -1.72 0.00 0.00 179.24 178.33 1yev h LYS 7 N 0.26 0.80 -0.10 3.56 1.57 -0.39 0.51 116.57 122.78 1yev h LYS 7 Ca 0.07 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1yev h LYS 7 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1yev h LYS 7 CO -0.01 0.53 -0.12 1.15 -0.57 0.00 0.00 179.45 180.42 1yev h THR 8 N 0.82 1.37 -0.89 -0.16 2.02 -0.21 -2.41 112.91 113.45 1yev h THR 8 Ca 0.35 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.24 1yev h THR 8 Cb 0.31 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 1yev h THR 8 CO -0.13 0.38 0.58 0.78 0.37 0.00 0.00 175.52 177.49 1yev h ASN 9 N -0.18 0.96 -0.40 4.18 2.35 0.01 -2.88 115.58 119.62 1yev h ASN 9 Ca 0.01 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 1yev h ASN 9 Cb 0.66 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1yev h ASN 9 CO 0.03 0.67 -0.27 0.58 -1.65 0.00 0.00 177.43 176.78 1yev h VAL 10 N 1.13 1.27 -0.40 2.81 2.07 -0.84 -2.46 116.25 119.83 1yev h VAL 10 Ca 0.35 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1yev h VAL 10 Cb -0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1yev h VAL 10 CO -0.11 0.49 0.19 0.11 0.02 0.00 0.00 177.57 178.26 1yev h LYS 11 N 0.78 0.57 0.13 1.57 1.57 -1.30 -1.47 116.57 118.42 1yev h LYS 11 Ca 0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1yev h LYS 11 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1yev h LYS 11 CO 0.07 0.50 -0.06 0.00 -0.57 0.00 0.00 179.45 179.39 1yev h ALA 12 N 1.04 -0.18 -0.70 3.86 0.00 -1.49 0.10 119.26 121.90 1yev h ALA 12 Ca 0.14 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yev h ALA 12 Cb 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1yev h ALA 12 CO -0.02 -0.51 0.45 0.00 0.00 0.00 0.00 179.25 179.17 1yev h ALA 13 N 0.49 0.90 -0.01 0.00 0.00 -1.46 -1.01 119.26 118.17 1yev h ALA 13 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1yev h ALA 13 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yev h ALA 13 CO 0.03 0.25 -0.44 2.35 0.00 0.00 0.00 179.25 181.44 1yev h TRP 14 N 0.89 0.02 0.00 0.00 2.91 -0.97 -1.49 115.95 117.32 1yev h TRP 14 Ca 0.27 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1yev h TRP 14 Cb -0.03 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1yev h TRP 14 CO -0.04 0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.25 1yev n GLY 15 N -0.25 -1.49 0.09 2.65 0.00 0.33 -1.63 105.19 104.89 1yev n GLY 15 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1yev n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yev h LYS 16 N 0.00 0.17 -0.93 1.61 1.79 -0.24 -3.23 116.57 115.74 1yev h LYS 16 Ca 0.00 -0.28 0.06 0.00 -2.18 0.00 0.00 60.65 58.25 1yev h LYS 16 Cb 0.55 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.24 1yev h LYS 16 CO 0.00 1.05 0.59 0.28 -1.08 0.00 0.00 179.45 180.29 1yev h VAL 17 N 0.05 1.08 0.00 0.50 2.07 -0.82 -3.45 116.25 115.68 1yev h VAL 17 Ca -0.16 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yev h VAL 17 Cb 1.94 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1yev h VAL 17 CO 0.16 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1yev n GLY 18 N -1.35 3.35 0.00 2.17 0.00 -1.14 -0.94 105.19 107.29 1yev n GLY 18 Ca 0.13 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1yev n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yev n ALA 19 N 10.74 2.49 1.26 4.61 0.00 -1.26 -3.04 120.51 135.30 1yev n ALA 19 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1yev n ALA 19 Cb 0.00 -1.47 0.58 0.00 0.00 0.00 0.00 19.45 18.57 1yev n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yev n HIS 20 N -1.15 0.00 -0.35 0.00 8.25 -0.12 -4.37 115.22 117.48 1yev n HIS 20 Ca 0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1yev n HIS 20 Cb 0.16 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 31.07 1yev n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yev h ALA 21 N 3.35 0.34 -0.16 -1.41 0.00 -1.62 0.17 119.26 119.93 1yev h ALA 21 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1yev h ALA 21 Cb 0.40 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1yev h ALA 21 CO 0.00 -0.53 -0.05 0.78 0.00 0.00 0.00 179.25 179.46 1yev h GLY 22 N -0.02 0.11 0.82 0.00 0.00 -1.85 0.15 103.07 102.28 1yev h GLY 22 Ca 0.38 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1yev h GLY 22 CO -0.96 -0.07 0.62 0.83 0.00 0.00 0.00 176.54 176.96 1yev h GLU 23 N -0.01 1.09 -0.27 4.80 5.08 -1.35 -2.27 114.58 121.64 1yev h GLU 23 Ca 0.08 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 1yev h GLU 23 Cb 0.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1yev h GLU 23 CO -0.17 0.72 -0.54 1.88 -1.00 0.00 0.00 179.01 179.89 1yev h TYR 24 N 1.12 1.07 -0.69 4.33 0.05 0.70 -2.25 116.97 121.29 1yev h TYR 24 Ca 0.41 -0.39 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1yev h TYR 24 Cb 0.16 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1yev h TYR 24 CO -0.00 1.21 0.38 0.78 -1.05 0.00 0.00 178.16 179.48 1yev h GLY 25 N 0.62 1.04 0.85 3.88 0.00 -0.54 -0.51 103.07 108.41 1yev h GLY 25 Ca 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1yev h GLY 25 CO 0.12 0.45 0.02 0.00 0.00 0.00 0.00 176.54 177.14 1yev h ALA 26 N 1.19 0.31 -0.43 3.60 0.00 -1.40 -1.01 119.26 121.52 1yev h ALA 26 Ca 0.24 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1yev h ALA 26 Cb 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1yev h ALA 26 CO -0.04 0.01 0.02 1.49 0.00 0.00 0.00 179.25 180.73 1yev h GLU 27 N 0.19 0.13 -0.79 0.00 4.81 -1.17 -1.31 114.58 116.43 1yev h GLU 27 Ca 0.07 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1yev h GLU 27 Cb 0.36 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1yev h GLU 27 CO 0.01 0.08 0.52 0.00 -0.73 0.00 0.00 179.01 178.89 1yev h ALA 28 N 1.37 1.52 -0.19 2.92 0.00 -0.87 0.18 119.26 124.19 1yev h ALA 28 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1yev h ALA 28 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yev h ALA 28 CO -0.34 0.40 0.05 -0.07 0.00 0.00 0.00 179.25 179.28 1yev h LEU 29 N 0.97 0.29 -0.81 0.00 3.38 -0.42 -1.67 115.31 117.06 1yev h LEU 29 Ca 0.32 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1yev h LEU 29 Cb 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1yev h LEU 29 CO -0.09 0.45 0.06 -0.08 0.09 0.00 0.00 178.44 178.87 1yev h GLU 30 N 0.12 0.95 -0.92 1.13 4.81 -0.75 -0.47 114.58 119.46 1yev h GLU 30 Ca 0.06 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1yev h GLU 30 Cb 0.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1yev h GLU 30 CO 0.00 0.90 0.56 0.00 -0.73 0.00 0.00 179.01 179.75 1yev h ARG 31 N 0.89 1.24 -0.36 1.92 3.08 -0.48 -2.35 114.38 118.33 1yev h ARG 31 Ca 0.18 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1yev h ARG 31 Cb 0.44 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1yev h ARG 31 CO 0.02 0.87 0.01 1.98 -1.07 0.00 0.00 179.97 181.77 1yev h MET 32 N 1.26 0.63 -0.41 0.04 4.05 -0.55 -0.36 114.93 119.58 1yev h MET 32 Ca 0.33 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 1yev h MET 32 Cb -0.06 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1yev h MET 32 CO -0.06 0.73 -0.06 0.74 0.23 0.00 0.00 176.91 178.49 1yev h PHE 33 N 0.44 0.75 0.10 1.39 0.04 -1.03 0.40 116.94 119.03 1yev h PHE 33 Ca 0.10 -0.11 -0.28 0.00 2.80 0.00 0.00 57.97 60.48 1yev h PHE 33 Cb 0.45 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1yev h PHE 33 CO 0.04 0.74 -1.36 -0.07 -0.60 0.00 0.00 178.31 177.05 1yev h LEU 34 N 0.65 0.33 0.00 1.54 3.38 -1.29 -3.30 115.31 116.62 1yev h LEU 34 Ca 0.12 -0.40 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 1yev h LEU 34 Cb 0.49 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1yev h LEU 34 CO 0.03 1.32 -1.17 0.28 0.09 0.00 0.00 178.44 178.99 1yev h SER 35 N 0.06 0.00 -2.46 -0.43 0.02 -0.90 -3.40 113.55 106.43 1yev h SER 35 Ca -0.17 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.19 1yev h SER 35 Cb 1.96 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.12 1yev h SER 35 CO 0.17 0.91 -0.92 0.49 -1.14 0.00 0.00 176.83 176.34 1yev n PHE 36 N -3.22 -0.30 0.28 3.45 3.72 0.12 -5.01 117.46 116.50 1yev n PHE 36 Ca -0.05 -3.46 0.15 0.00 -0.05 0.00 0.00 57.45 54.04 1yev n PHE 36 Cb 0.94 0.12 0.84 0.00 -0.94 0.00 0.00 39.48 40.44 1yev n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yev h PRO 37 N 5.56 0.00 0.00 -1.08 0.11 -1.74 -1.93 132.00 132.91 1yev h PRO 37 Ca 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1yev h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1yev h PRO 37 CO 0.42 0.07 -0.00 1.79 -0.21 0.00 0.00 178.00 180.07 1yev h THR 38 N 0.00 0.14 0.00 -1.15 1.35 -1.92 -2.23 112.91 109.11 1yev h THR 38 Ca -0.00 -0.05 -0.05 0.00 -0.55 0.00 0.00 66.41 65.77 1yev h THR 38 Cb 0.22 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1yev h THR 38 CO 0.01 0.00 -0.21 0.71 -0.25 0.00 0.00 175.52 175.78 1yev h THR 39 N 0.00 0.65 0.00 6.82 1.35 -1.68 -2.78 112.91 117.28 1yev h THR 39 Ca -0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1yev h THR 39 Cb 0.04 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1yev h THR 39 CO 0.00 0.21 0.01 0.11 -0.25 0.00 0.00 175.52 175.60 1yev h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.60 -2.77 116.57 118.49 1yev h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yev h LYS 40 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1yev h LYS 40 CO 0.03 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.70 1yev h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.68 -1.80 112.91 110.61 1yev h THR 41 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1yev h THR 41 Cb 0.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1yev h THR 41 CO 0.00 0.00 -0.14 -1.22 -0.25 0.00 0.00 175.52 173.91 1yev n TYR 42 N -2.62 0.00 -2.80 4.73 4.01 -1.05 -4.37 117.16 115.06 1yev n TYR 42 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1yev n TYR 42 Cb 0.16 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 1yev n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yev n PHE 43 N -0.05 2.15 0.38 -0.72 3.01 -0.68 -4.92 117.46 116.63 1yev n PHE 43 Ca 0.15 -3.38 0.13 0.00 1.01 0.00 0.00 57.45 55.35 1yev n PHE 43 Cb 0.39 -0.34 0.52 0.00 -0.01 0.00 0.00 39.48 40.04 1yev n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yev h PRO 44 N 2.89 0.00 -0.67 -1.08 0.13 -1.76 -2.85 132.00 128.65 1yev h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1yev h PRO 44 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1yev h PRO 44 CO 0.66 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1yev n HIS 45 N -2.38 1.44 -4.13 1.56 1.44 -1.26 -4.94 115.22 106.95 1yev n HIS 45 Ca 0.02 -0.60 -0.33 0.00 -2.01 0.00 0.00 57.72 54.80 1yev n HIS 45 Cb 0.25 -0.21 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 1yev n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yev s PHE 46 N -1.73 3.26 -0.15 -1.40 0.40 -1.08 -5.06 117.98 112.22 1yev s PHE 46 Ca 0.52 0.19 -0.29 0.00 -0.60 0.00 0.00 56.93 56.74 1yev s PHE 46 Cb 0.32 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1yev s PHE 46 CO 0.26 0.54 1.33 0.34 0.70 0.00 0.00 175.22 178.39 1yev s ASP 47 N -1.70 6.90 -0.04 1.36 -1.08 -1.26 -4.90 116.67 115.95 1yev s ASP 47 Ca 0.22 1.78 0.14 0.00 -0.52 0.00 0.00 52.55 54.18 1yev s ASP 47 Cb -0.12 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.25 1yev s ASP 47 CO 0.13 -0.79 1.38 0.18 0.52 0.00 0.00 175.17 176.59 1yev n LEU 48 N 6.70 3.49 -4.74 -1.34 4.77 -1.26 -4.47 117.00 120.15 1yev n LEU 48 Ca 0.14 -2.22 -0.33 0.00 -0.03 0.00 0.00 56.01 53.57 1yev n LEU 48 Cb 0.44 -0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1yev n LEU 48 CO 0.57 0.77 0.74 -0.94 -1.33 0.00 0.00 177.39 177.20 1yev s SER 49 N -1.14 4.29 0.22 -1.43 1.04 -1.26 -4.89 113.70 110.53 1yev s SER 49 Ca 0.34 2.11 -0.30 0.00 0.48 0.00 0.00 55.95 58.58 1yev s SER 49 Cb 0.20 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1yev s SER 49 CO 0.18 -2.19 0.99 1.57 0.98 0.00 0.00 173.24 174.78 1yev n HIS 50 N -3.07 0.97 -1.53 5.02 -0.00 -1.26 -2.12 115.22 113.23 1yev n HIS 50 Ca 0.11 0.75 -0.18 0.00 0.46 0.00 0.00 57.72 58.87 1yev n HIS 50 Cb 0.52 -2.21 -0.07 0.00 -0.12 0.00 0.00 29.99 28.10 1yev n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yev n GLY 51 N 1.67 1.62 3.82 1.57 0.00 -1.26 -4.94 105.19 107.67 1yev n GLY 51 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1yev n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yev s SER 52 N -2.48 4.58 0.27 1.61 1.04 -0.90 -4.91 113.70 112.91 1yev s SER 52 Ca 0.00 1.27 0.15 0.00 0.48 0.00 0.00 55.95 57.84 1yev s SER 52 Cb 0.00 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.17 1yev s SER 52 CO 0.00 -1.91 1.42 0.00 0.98 0.00 0.00 173.24 173.73 1yev h ALA 53 N -1.05 0.66 -0.13 5.32 0.00 -1.90 -2.84 119.26 119.32 1yev h ALA 53 Ca -0.47 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 1yev h ALA 53 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yev h ALA 53 CO 0.60 0.66 -0.24 1.96 0.00 0.00 0.00 179.25 182.22 1yev h GLN 54 N 0.00 0.40 -0.04 0.00 4.20 -1.94 -1.54 115.11 116.18 1yev h GLN 54 Ca -0.01 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.48 1yev h GLN 54 Cb 1.41 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.18 1yev h GLN 54 CO 0.07 0.85 -0.14 0.28 -0.67 0.00 0.00 178.83 179.21 1yev h VAL 55 N -0.01 0.64 0.25 -0.54 2.07 -1.78 0.75 116.25 117.63 1yev h VAL 55 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1yev h VAL 55 Cb 0.83 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1yev h VAL 55 CO 0.05 0.00 -0.48 0.11 0.02 0.00 0.00 177.57 177.27 1yev h LYS 56 N -0.22 -0.77 -0.96 1.57 1.57 -1.52 0.56 116.57 116.80 1yev h LYS 56 Ca 0.06 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 1yev h LYS 56 Cb 0.30 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.70 1yev h LYS 56 CO -0.17 -0.52 0.61 0.78 -0.57 0.00 0.00 179.45 179.58 1yev h GLY 57 N -0.80 1.49 1.56 3.86 0.00 -0.87 0.47 103.07 108.78 1yev h GLY 57 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1yev h GLY 57 CO -0.20 0.07 -0.30 0.84 0.00 0.00 0.00 176.54 176.95 1yev h HIS 58 N 0.80 0.58 -0.89 5.60 -0.00 0.14 -3.06 115.15 118.33 1yev h HIS 58 Ca 0.50 -0.14 0.04 0.00 -0.00 0.00 0.00 60.37 60.78 1yev h HIS 58 Cb 0.72 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.94 1yev h HIS 58 CO -0.00 0.76 0.57 0.78 -0.00 0.00 0.00 177.93 180.03 1yev h GLY 59 N 1.04 1.30 1.03 5.26 0.00 0.50 -0.99 103.07 111.21 1yev h GLY 59 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1yev h GLY 59 CO 0.06 0.35 0.66 1.70 0.00 0.00 0.00 176.54 179.30 1yev h LYS 60 N 1.08 1.31 -0.23 4.80 3.64 -1.35 -1.69 116.57 124.13 1yev h LYS 60 Ca 0.36 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1yev h LYS 60 Cb 0.05 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1yev h LYS 60 CO -0.13 0.87 -0.14 0.87 -2.27 0.00 0.00 179.45 178.64 1yev h LYS 61 N 1.34 0.50 -0.22 1.90 1.57 -1.18 -1.52 116.57 118.98 1yev h LYS 61 Ca 0.36 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1yev h LYS 61 Cb -0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1yev h LYS 61 CO -0.08 0.79 0.11 0.28 -0.57 0.00 0.00 179.45 179.98 1yev h VAL 62 N 0.21 1.12 -0.53 0.50 2.07 -1.13 -2.17 116.25 116.32 1yev h VAL 62 Ca 0.05 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1yev h VAL 62 Cb 0.66 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1yev h VAL 62 CO 0.04 0.12 0.10 0.00 0.02 0.00 0.00 177.57 177.85 1yev h ALA 63 N 0.99 1.19 -0.20 1.67 0.00 -1.32 -1.48 119.26 120.10 1yev h ALA 63 Ca 0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1yev h ALA 63 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yev h ALA 63 CO -0.01 0.55 -0.19 -0.44 0.00 0.00 0.00 179.25 179.15 1yev h ASP 64 N 0.79 0.35 0.45 0.00 5.19 -1.13 -0.39 116.42 121.68 1yev h ASP 64 Ca 0.17 -0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 1yev h ASP 64 Cb 0.33 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1yev h ASP 64 CO 0.00 0.56 -0.66 0.00 -3.12 0.00 0.00 179.24 176.02 1yev h ALA 65 N 1.48 0.80 -0.38 3.45 0.00 -0.64 -1.40 119.26 122.56 1yev h ALA 65 Ca 0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1yev h ALA 65 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1yev h ALA 65 CO 0.04 0.78 -0.39 -0.07 0.00 0.00 0.00 179.25 179.60 1yev h LEU 66 N 0.14 1.00 -0.69 0.00 3.38 -1.14 -1.20 115.31 116.80 1yev h LEU 66 Ca -0.01 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.60 1yev h LEU 66 Cb 1.19 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1yev h LEU 66 CO 0.10 1.26 0.31 0.74 0.09 0.00 0.00 178.44 180.94 1yev h THR 67 N 0.76 0.79 -0.25 0.22 2.02 -0.81 -0.63 112.91 115.02 1yev h THR 67 Ca 0.06 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1yev h THR 67 Cb 0.99 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1yev h THR 67 CO 0.10 0.09 -0.36 -1.13 0.37 0.00 0.00 175.52 174.59 1yev h ASN 68 N 0.52 0.58 -0.76 4.18 -1.24 -0.94 -2.10 115.58 115.82 1yev h ASN 68 Ca 0.35 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1yev h ASN 68 Cb 0.41 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 1yev h ASN 68 CO -0.30 0.89 0.42 0.00 -1.29 0.00 0.00 177.43 177.14 1yev h ALA 69 N 1.15 0.98 0.04 1.57 0.00 -0.08 -1.94 119.26 120.98 1yev h ALA 69 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yev h ALA 69 Cb 0.84 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yev h ALA 69 CO 0.07 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 1yev h VAL 70 N 1.06 1.07 -0.41 0.00 2.07 -0.83 0.84 116.25 120.05 1yev h VAL 70 Ca 0.27 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1yev h VAL 70 Cb 0.04 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1yev h VAL 70 CO -0.04 0.09 0.45 0.00 0.02 0.00 0.00 177.57 178.08 1yev h ALA 71 N 0.75 2.11 -0.55 1.67 0.00 -1.09 -1.66 119.26 120.49 1yev h ALA 71 Ca -0.01 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 1yev h ALA 71 Cb 0.18 0.03 -0.37 0.00 0.00 0.00 0.00 17.79 17.63 1yev h ALA 71 CO 0.01 -0.66 -0.87 0.72 0.00 0.00 0.00 179.25 178.45 1yev n HIS 72 N -3.69 1.94 0.10 0.00 8.25 -0.76 -4.83 115.22 116.25 1yev n HIS 72 Ca 0.07 -2.04 0.16 0.00 -0.26 0.00 0.00 57.72 55.65 1yev n HIS 72 Cb 0.62 -0.29 0.68 0.00 1.12 0.00 0.00 29.99 32.12 1yev n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yev h VAL 73 N 3.13 0.82 0.00 1.59 3.04 0.15 -1.77 116.25 123.21 1yev h VAL 73 Ca 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1yev h VAL 73 Cb 1.43 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1yev h VAL 73 CO 0.50 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.53 1yev n ASP 74 N -4.41 0.66 -3.02 3.17 8.00 -1.26 -4.12 116.55 115.57 1yev n ASP 74 Ca 0.05 0.57 -0.16 0.00 0.71 0.00 0.00 54.79 55.96 1yev n ASP 74 Cb 0.41 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1yev n ASP 74 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1yev n ASP 75 N -2.13 -0.56 -0.18 -2.24 3.85 -0.68 -4.99 116.55 109.62 1yev n ASP 75 Ca 0.05 -3.16 -0.10 0.00 -0.71 0.00 0.00 54.79 50.88 1yev n ASP 75 Cb 0.39 0.32 0.01 0.00 -1.35 0.00 0.00 41.12 40.49 1yev n ASP 75 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 1yev h MET 76 N 3.31 0.90 -0.78 0.11 2.86 -1.68 -2.23 114.93 117.42 1yev h MET 76 Ca 0.01 -0.28 0.16 0.00 -2.06 0.00 0.00 59.70 57.54 1yev h MET 76 Cb 0.99 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.46 1yev h MET 76 CO 0.38 0.92 0.29 -1.35 1.06 0.00 0.00 176.91 178.21 1yev h PRO 77 N 0.78 0.39 -0.08 -0.22 0.11 -1.94 0.42 132.00 131.45 1yev h PRO 77 Ca 0.15 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1yev h PRO 77 Cb 0.50 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1yev h PRO 77 CO 0.02 0.26 -0.23 -0.91 -0.21 0.00 0.00 178.00 176.93 1yev h ASN 78 N 0.40 0.34 0.31 -2.05 4.21 -1.94 -2.15 115.58 114.69 1yev h ASN 78 Ca 0.44 -0.61 -0.05 0.00 1.21 0.00 0.00 56.30 57.30 1yev h ASN 78 Cb 0.73 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 1yev h ASN 78 CO -0.45 0.89 -0.22 0.00 -1.29 0.00 0.00 177.43 176.35 1yev h ALA 79 N 0.46 1.47 -0.01 -0.83 0.00 -0.63 -3.09 119.26 116.63 1yev h ALA 79 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yev h ALA 79 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1yev h ALA 79 CO 0.05 0.27 -0.57 1.28 0.00 0.00 0.00 179.25 180.28 1yev n LEU 80 N -4.04 1.50 -0.29 0.00 4.77 0.14 -4.74 117.00 114.34 1yev n LEU 80 Ca -0.02 -0.67 0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1yev n LEU 80 Cb 0.29 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1yev n LEU 80 CO 0.35 0.30 0.50 -1.54 -1.33 0.00 0.00 177.39 175.67 1yev n SER 81 N -0.55 -0.34 -0.11 -1.43 3.41 -0.81 0.14 113.62 113.93 1yev n SER 81 Ca 0.06 1.35 0.00 0.00 -0.26 0.00 0.00 58.87 60.02 1yev n SER 81 Cb 0.37 -0.38 0.28 0.00 -0.26 0.00 0.00 64.21 64.21 1yev n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yev h ALA 82 N 1.44 1.44 0.00 7.33 0.00 -1.85 -0.08 119.26 127.53 1yev h ALA 82 Ca 0.35 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1yev h ALA 82 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yev h ALA 82 CO -0.80 0.45 -0.68 -0.07 0.00 0.00 0.00 179.25 178.16 1yev h LEU 83 N 0.78 0.00 -0.13 0.00 3.38 0.81 -2.52 115.31 117.63 1yev h LEU 83 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1yev h LEU 83 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1yev h LEU 83 CO -0.03 0.68 0.01 -1.28 0.09 0.00 0.00 178.44 177.91 1yev h SER 84 N 0.00 0.22 -0.40 -0.43 0.87 -0.15 -1.82 113.55 111.84 1yev h SER 84 Ca -0.01 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1yev h SER 84 Cb 1.32 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1yev h SER 84 CO 0.09 0.45 0.14 0.44 -0.53 0.00 0.00 176.83 177.42 1yev h ASP 85 N -0.02 0.62 0.10 6.23 5.19 -1.03 -0.53 116.42 126.98 1yev h ASP 85 Ca 0.04 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1yev h ASP 85 Cb 0.33 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1yev h ASP 85 CO 0.00 0.60 -0.05 0.25 -3.12 0.00 0.00 179.24 176.92 1yev h LEU 86 N 0.66 -0.12 -0.15 1.55 5.85 -1.34 -1.23 115.31 120.54 1yev h LEU 86 Ca 0.15 -0.21 -0.23 0.00 0.84 0.00 0.00 57.88 58.43 1yev h LEU 86 Cb 0.21 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1yev h LEU 86 CO -0.01 0.15 -0.93 0.45 -0.34 0.00 0.00 178.44 177.76 1yev h HIS 87 N -0.39 0.74 0.16 1.25 3.86 -1.26 0.35 115.15 119.86 1yev h HIS 87 Ca -0.01 -0.39 -0.31 0.00 -1.16 0.00 0.00 60.37 58.50 1yev h HIS 87 Cb 0.33 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.71 1yev h HIS 87 CO 0.01 1.21 -1.53 0.00 0.86 0.00 0.00 177.93 178.48 1yev h ALA 88 N 0.66 0.13 0.00 2.45 0.00 -1.16 -1.76 119.26 119.59 1yev h ALA 88 Ca -0.08 -1.07 -0.32 0.00 0.00 0.00 0.00 54.91 53.43 1yev h ALA 88 Cb 1.57 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1yev h ALA 88 CO 0.17 0.87 -2.20 0.72 0.00 0.00 0.00 179.25 178.81 1yev n HIS 89 N -3.78 0.00 -0.09 0.00 8.25 -0.50 -4.11 115.22 115.00 1yev n HIS 89 Ca -0.24 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.10 1yev n HIS 89 Cb 0.98 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1yev n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yev n LYS 90 N -2.83 0.50 0.08 -0.41 4.81 -0.98 -4.57 118.16 114.76 1yev n LYS 90 Ca -0.32 0.55 -0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1yev n LYS 90 Cb 1.00 -1.72 -0.05 0.00 0.02 0.00 0.00 35.03 34.29 1yev n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yev h LEU 91 N -1.00 0.23 -2.88 3.14 3.38 -0.47 -3.49 115.31 114.22 1yev h LEU 91 Ca -0.16 -0.21 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 1yev h LEU 91 Cb 0.86 -0.07 0.12 0.00 0.09 0.00 0.00 40.66 41.66 1yev h LEU 91 CO -0.10 1.06 -0.85 0.54 0.09 0.00 0.00 178.44 179.18 1yev n ARG 92 N -3.58 -1.63 -2.73 1.13 5.12 -0.75 -4.93 116.66 109.29 1yev n ARG 92 Ca -0.04 0.69 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 1yev n ARG 92 Cb 0.86 -4.85 -0.03 0.00 -1.16 0.00 0.00 32.46 27.29 1yev n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yev s VAL 93 N -3.39 4.77 0.22 1.55 1.01 -0.74 -4.98 120.40 118.83 1yev s VAL 93 Ca 0.43 1.94 -0.32 0.00 0.00 0.00 0.00 61.98 64.03 1yev s VAL 93 Cb -0.11 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 1yev s VAL 93 CO 0.81 -0.06 1.68 -0.62 0.00 0.00 0.00 175.10 176.91 1yev s ASP 94 N 1.16 6.40 0.57 3.32 -1.08 -1.26 -4.86 116.67 120.91 1yev s ASP 94 Ca 0.44 2.86 0.31 0.00 -0.52 0.00 0.00 52.55 55.64 1yev s ASP 94 Cb -0.17 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.14 1yev s ASP 94 CO 0.12 -0.95 1.83 -0.65 0.52 0.00 0.00 175.17 176.05 1yev h PRO 95 N 6.45 0.00 -0.58 4.34 0.11 -1.96 -1.90 132.00 138.46 1yev h PRO 95 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.77 1yev h PRO 95 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1yev h PRO 95 CO 0.92 0.00 0.39 0.28 -0.21 0.00 0.00 178.00 179.39 1yev h VAL 96 N 0.00 0.90 0.00 3.15 2.07 -2.02 -0.35 116.25 120.00 1yev h VAL 96 Ca 0.37 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.67 1yev h VAL 96 Cb 1.68 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1yev h VAL 96 CO -0.00 0.07 -0.39 0.78 0.02 0.00 0.00 177.57 178.05 1yev h ASN 97 N 0.41 0.00 -0.72 0.57 4.21 -1.71 -2.43 115.58 115.91 1yev h ASN 97 Ca 0.27 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.73 1yev h ASN 97 Cb 0.52 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.68 1yev h ASN 97 CO -0.07 0.39 0.27 -0.26 -1.29 0.00 0.00 177.43 176.46 1yev h PHE 98 N 0.00 1.13 -0.53 1.19 -1.00 -1.23 -1.66 116.94 114.83 1yev h PHE 98 Ca -0.00 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1yev h PHE 98 Cb 0.77 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1yev h PHE 98 CO 0.00 0.87 0.16 0.87 -1.61 0.00 0.00 178.31 178.60 1yev h LYS 99 N 1.07 0.79 -0.39 1.51 1.57 -1.48 -1.81 116.57 117.83 1yev h LYS 99 Ca 0.24 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1yev h LYS 99 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1yev h LYS 99 CO -0.02 0.69 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.37 1yev h LEU 100 N 0.77 0.78 -0.44 2.94 3.38 -1.23 -1.69 115.31 119.82 1yev h LEU 100 Ca 0.18 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1yev h LEU 100 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1yev h LEU 100 CO -0.01 0.97 -0.09 0.25 0.09 0.00 0.00 178.44 179.65 1yev h LEU 101 N 0.58 0.84 -0.41 1.67 5.85 -1.22 -2.36 115.31 120.26 1yev h LEU 101 Ca 0.10 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1yev h LEU 101 Cb 0.64 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1yev h LEU 101 CO 0.04 1.00 0.18 0.28 -0.34 0.00 0.00 178.44 179.61 1yev h SER 102 N 0.66 0.24 -0.34 1.25 0.02 -1.28 -0.62 113.55 113.48 1yev h SER 102 Ca 0.11 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1yev h SER 102 Cb 0.63 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1yev h SER 102 CO 0.04 0.18 0.14 -0.74 -1.14 0.00 0.00 176.83 175.31 1yev h HIS 103 N 0.37 0.26 -0.01 3.45 -0.00 -1.24 -0.98 115.15 117.00 1yev h HIS 103 Ca 0.18 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1yev h HIS 103 Cb 0.12 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1yev h HIS 103 CO -0.12 0.13 -0.23 0.00 -0.00 0.00 0.00 177.93 177.71 1yev h LEU 105 N 0.01 0.74 -0.54 0.00 7.12 -0.64 -1.99 115.31 120.01 1yev h LEU 105 Ca 0.00 -0.49 -0.08 0.00 0.13 0.00 0.00 57.88 57.44 1yev h LEU 105 Cb 0.42 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1yev h LEU 105 CO 0.03 1.26 0.01 -0.07 -0.13 0.00 0.00 178.44 179.54 1yev h LEU 106 N 0.42 0.92 -0.74 2.25 3.38 -0.51 -0.17 115.31 120.87 1yev h LEU 106 Ca -0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1yev h LEU 106 Cb 1.37 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1yev h LEU 106 CO 0.15 1.00 0.48 0.58 0.09 0.00 0.00 178.44 180.73 1yev h VAL 107 N 0.82 1.20 0.16 1.22 2.07 -1.02 -0.38 116.25 120.32 1yev h VAL 107 Ca 0.15 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1yev h VAL 107 Cb 0.52 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1yev h VAL 107 CO 0.03 0.20 -0.08 0.74 0.02 0.00 0.00 177.57 178.48 1yev h THR 108 N 1.01 0.91 -0.40 2.57 2.02 -0.91 -0.30 112.91 117.80 1yev h THR 108 Ca 0.27 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1yev h THR 108 Cb -0.09 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1yev h THR 108 CO -0.06 0.07 0.13 -0.07 0.37 0.00 0.00 175.52 175.97 1yev h LEU 109 N -0.36 0.13 -1.48 2.58 3.38 -0.75 -0.93 115.31 117.88 1yev h LEU 109 Ca -0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1yev h LEU 109 Cb 0.28 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1yev h LEU 109 CO 0.04 0.11 -0.03 0.00 0.09 0.00 0.00 178.44 178.65 1yev h ALA 110 N 1.27 1.58 0.00 1.53 0.00 -0.94 0.43 119.26 123.13 1yev h ALA 110 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1yev h ALA 110 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yev h ALA 110 CO -0.20 0.31 -0.35 0.00 0.00 0.00 0.00 179.25 179.01 1yev h ALA 111 N 1.69 0.95 0.00 0.00 0.00 0.22 -3.35 119.26 118.76 1yev h ALA 111 Ca 0.07 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1yev h ALA 111 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1yev h ALA 111 CO 0.01 0.44 -1.75 0.72 0.00 0.00 0.00 179.25 178.67 1yev n HIS 112 N -3.44 0.00 -3.04 0.00 8.25 -0.46 -4.75 115.22 111.78 1yev n HIS 112 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 1yev n HIS 112 Cb 0.53 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 1yev n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yev n LEU 113 N -2.31 4.44 -0.11 2.41 4.77 0.14 -4.94 117.00 121.40 1yev n LEU 113 Ca -0.15 -5.62 -0.05 0.00 -0.03 0.00 0.00 56.01 50.15 1yev n LEU 113 Cb 0.75 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1yev n LEU 113 CO 0.25 2.28 0.85 1.55 -1.33 0.00 0.00 177.39 180.99 1yev h PRO 114 N 3.30 0.10 -0.40 3.23 0.13 -1.79 -1.68 132.00 134.89 1yev h PRO 114 Ca 0.16 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1yev h PRO 114 Cb 0.53 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1yev h PRO 114 CO 0.84 0.07 0.02 0.00 -0.23 0.00 0.00 178.00 178.69 1yev h ALA 115 N 1.32 1.29 0.00 -0.56 0.00 -1.93 -3.00 119.26 116.39 1yev h ALA 115 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yev h ALA 115 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yev h ALA 115 CO -0.30 0.48 -0.44 0.39 0.00 0.00 0.00 179.25 179.38 1yev n GLU 116 N -4.26 0.28 -2.01 0.00 4.71 -0.86 -4.49 120.64 114.00 1yev n GLU 116 Ca 0.02 0.12 -0.41 0.00 -0.01 0.00 0.00 57.16 56.88 1yev n GLU 116 Cb 0.25 -1.72 -0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1yev n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1yev n PHE 117 N -2.14 2.83 -2.09 -0.32 7.35 -0.69 -4.79 117.46 117.60 1yev n PHE 117 Ca 0.04 -2.86 -0.27 0.00 -0.76 0.00 0.00 57.45 53.60 1yev n PHE 117 Cb 0.43 -2.06 0.09 0.00 0.35 0.00 0.00 39.48 38.29 1yev n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yev s THR 118 N 0.49 2.15 0.20 -2.13 -4.23 -1.26 -4.77 115.64 106.08 1yev s THR 118 Ca 0.49 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1yev s THR 118 Cb 0.14 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1yev s THR 118 CO -0.05 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.15 1yev h PRO 119 N -0.84 0.48 -0.59 3.99 0.11 -1.98 0.72 132.00 133.88 1yev h PRO 119 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1yev h PRO 119 Cb 1.31 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1yev h PRO 119 CO 0.59 0.31 0.20 0.00 -0.21 0.00 0.00 178.00 178.90 1yev h ALA 120 N 1.37 1.25 -0.10 -0.75 0.00 -1.97 0.91 119.26 119.97 1yev h ALA 120 Ca 0.29 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1yev h ALA 120 Cb 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1yev h ALA 120 CO -0.24 0.54 -0.83 0.28 0.00 0.00 0.00 179.25 178.99 1yev h VAL 121 N 0.85 1.31 -0.76 0.00 2.07 -1.75 -1.84 116.25 116.13 1yev h VAL 121 Ca 0.20 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 65.66 1yev h VAL 121 Cb 0.22 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1yev h VAL 121 CO -0.01 0.65 0.47 -0.74 0.02 0.00 0.00 177.57 177.96 1yev h HIS 122 N 0.44 0.88 -0.37 1.57 6.17 -0.62 -0.27 115.15 122.94 1yev h HIS 122 Ca -0.07 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 60.98 1yev h HIS 122 Cb 1.46 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 31.09 1yev h HIS 122 CO 0.08 0.48 0.02 0.00 0.71 0.00 0.00 177.93 179.22 1yev h ALA 123 N 1.33 0.50 -0.50 5.26 0.00 -0.59 -2.14 119.26 123.13 1yev h ALA 123 Ca 0.31 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1yev h ALA 123 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yev h ALA 123 CO -0.13 0.25 -0.18 0.77 0.00 0.00 0.00 179.25 179.97 1yev h SER 124 N 0.47 1.01 -0.42 0.00 0.02 -1.05 -2.33 113.55 111.26 1yev h SER 124 Ca 0.11 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1yev h SER 124 Cb 0.44 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1yev h SER 124 CO 0.02 1.16 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.73 1yev h LEU 125 N 0.87 0.84 -0.57 5.07 3.38 -0.92 0.70 115.31 124.68 1yev h LEU 125 Ca 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1yev h LEU 125 Cb 0.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1yev h LEU 125 CO 0.06 0.94 0.12 -0.78 0.09 0.00 0.00 178.44 178.87 1yev h ASP 126 N 0.78 0.88 -0.63 -0.43 3.58 -1.28 0.10 116.42 119.43 1yev h ASP 126 Ca 0.14 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.27 1yev h ASP 126 Cb 0.56 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1yev h ASP 126 CO 0.03 0.90 0.14 0.11 -2.88 0.00 0.00 179.24 177.54 1yev h LYS 127 N 0.83 1.04 -0.12 0.28 1.57 -1.22 -2.22 116.57 116.73 1yev h LYS 127 Ca 0.18 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1yev h LYS 127 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1yev h LYS 127 CO 0.01 0.94 0.07 0.35 -0.57 0.00 0.00 179.45 180.24 1yev h PHE 128 N 0.99 0.17 -0.16 -1.35 3.57 -0.27 -1.62 116.94 118.26 1yev h PHE 128 Ca 0.20 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1yev h PHE 128 Cb 0.38 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1yev h PHE 128 CO 0.03 0.18 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.02 1yev h LEU 129 N 0.11 0.27 -0.63 0.59 3.38 -0.73 -1.76 115.31 116.54 1yev h LEU 129 Ca 0.04 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1yev h LEU 129 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yev h LEU 129 CO -0.01 0.49 -0.48 0.00 0.09 0.00 0.00 178.44 178.53 1yev h ALA 130 N 1.54 0.81 -0.30 1.53 0.00 -1.27 -1.27 119.26 120.30 1yev h ALA 130 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1yev h ALA 130 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yev h ALA 130 CO 0.03 0.66 -0.09 0.77 0.00 0.00 0.00 179.25 180.63 1yev h SER 131 N 0.41 0.61 -0.62 0.00 0.02 -0.52 0.22 113.55 113.66 1yev h SER 131 Ca 0.02 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1yev h SER 131 Cb 0.99 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1yev h SER 131 CO 0.09 0.84 0.36 0.58 -1.14 0.00 0.00 176.83 177.56 1yev h VAL 132 N 0.36 1.02 -0.69 2.27 2.07 -1.21 -0.52 116.25 119.56 1yev h VAL 132 Ca 0.08 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1yev h VAL 132 Cb 0.58 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1yev h VAL 132 CO 0.03 0.13 0.39 0.28 0.02 0.00 0.00 177.57 178.42 1yev h SER 133 N 0.69 0.85 -0.21 0.57 0.02 -0.95 0.21 113.55 114.72 1yev h SER 133 Ca 0.26 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1yev h SER 133 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1yev h SER 133 CO -0.14 0.69 0.10 0.74 -1.14 0.00 0.00 176.83 177.08 1yev h THR 134 N 0.95 0.99 -0.73 -2.27 2.02 -0.17 -0.79 112.91 112.91 1yev h THR 134 Ca 0.25 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1yev h THR 134 Cb 0.01 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1yev h THR 134 CO -0.04 0.04 0.46 0.58 0.37 0.00 0.00 175.52 176.93 1yev h VAL 135 N 0.22 1.11 0.00 3.16 2.07 -0.54 -2.76 116.25 119.51 1yev h VAL 135 Ca 0.09 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1yev h VAL 135 Cb 0.03 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1yev h VAL 135 CO -0.06 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.87 1yev n LEU 136 N -4.64 0.00 -0.28 2.57 4.77 0.68 -3.41 117.00 116.69 1yev n LEU 136 Ca 0.08 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.51 1yev n LEU 136 Cb 0.08 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1yev n LEU 136 CO 0.33 -0.07 0.53 0.35 -1.33 0.00 0.00 177.39 177.20 1yev n THR 137 N -1.43 0.86 0.47 -5.08 -2.24 -0.39 -3.64 114.28 102.83 1yev n THR 137 Ca 0.08 -0.93 0.06 0.00 -2.27 0.00 0.00 64.05 60.98 1yev n THR 137 Cb 0.25 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1yev n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96