#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rps s LEU 2 N 0.00 4.35 0.69 7.52 1.43 -1.26 -5.05 118.68 126.35 1rps s LEU 2 Ca 0.00 1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 1rps s LEU 2 Cb 0.00 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1rps s LEU 2 CO 0.00 -0.20 1.04 -0.94 0.23 0.00 0.00 176.35 176.48 1rps s SER 3 N 0.91 5.21 0.25 2.29 1.04 -1.26 -4.89 113.70 117.25 1rps s SER 3 Ca 0.46 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.67 1rps s SER 3 Cb -0.20 -1.59 0.37 0.00 0.10 0.00 0.00 66.02 64.70 1rps s SER 3 CO 0.24 -1.40 1.86 -0.65 0.98 0.00 0.00 173.24 174.27 1rps h PRO 4 N -0.57 1.03 -0.70 4.02 0.11 -2.00 -0.44 132.00 133.45 1rps h PRO 4 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rps h PRO 4 Cb 1.28 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1rps h PRO 4 CO 0.63 0.68 0.46 0.00 -0.21 0.00 0.00 178.00 179.55 1rps h ALA 5 N 1.43 1.48 -0.09 -0.75 0.00 -1.99 -0.90 119.26 118.45 1rps h ALA 5 Ca 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1rps h ALA 5 Cb 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1rps h ALA 5 CO -0.18 0.48 -0.00 -0.44 0.00 0.00 0.00 179.25 179.11 1rps h ASP 6 N 0.96 0.16 -0.74 0.00 3.32 -1.47 0.23 116.42 118.87 1rps h ASP 6 Ca 0.26 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1rps h ASP 6 Cb -0.09 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1rps h ASP 6 CO -0.05 0.44 0.44 0.11 -1.72 0.00 0.00 179.24 178.45 1rps h LYS 7 N -0.13 0.79 -0.17 3.56 1.57 -1.17 0.75 116.57 121.78 1rps h LYS 7 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rps h LYS 7 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1rps h LYS 7 CO 0.01 0.52 0.06 1.15 -0.57 0.00 0.00 179.45 180.62 1rps h THR 8 N 0.82 1.17 -0.91 -0.16 2.02 -0.93 -0.91 112.91 114.01 1rps h THR 8 Ca 0.32 -0.51 0.05 0.00 0.77 0.00 0.00 66.41 67.04 1rps h THR 8 Cb 0.16 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1rps h THR 8 CO -0.17 0.16 0.58 0.78 0.37 0.00 0.00 175.52 177.25 1rps h ASN 9 N 0.11 0.95 -0.11 4.18 2.35 0.11 -1.05 115.58 122.13 1rps h ASN 9 Ca 0.06 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1rps h ASN 9 Cb 0.19 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1rps h ASN 9 CO -0.00 0.64 -0.49 0.58 -1.65 0.00 0.00 177.43 176.50 1rps h VAL 10 N 1.10 1.37 -0.61 2.81 2.07 -0.50 -0.39 116.25 122.10 1rps h VAL 10 Ca 0.38 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1rps h VAL 10 Cb 0.07 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1rps h VAL 10 CO -0.14 0.54 0.39 0.11 0.02 0.00 0.00 177.57 178.49 1rps h LYS 11 N 0.12 0.76 0.36 1.57 1.57 -1.10 0.29 116.57 120.14 1rps h LYS 11 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1rps h LYS 11 Cb 1.13 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1rps h LYS 11 CO 0.10 0.50 -0.25 0.00 -0.57 0.00 0.00 179.45 179.23 1rps h ALA 12 N 1.25 -1.05 -0.71 3.86 0.00 -1.02 0.22 119.26 121.81 1rps h ALA 12 Ca 0.24 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1rps h ALA 12 Cb -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 1rps h ALA 12 CO -0.08 -1.04 -0.10 0.00 0.00 0.00 0.00 179.25 178.03 1rps h ALA 13 N -1.47 0.59 0.00 0.00 0.00 -0.99 -0.66 119.26 116.73 1rps h ALA 13 Ca -0.05 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1rps h ALA 13 Cb 0.48 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rps h ALA 13 CO 0.03 -0.42 -0.44 2.35 0.00 0.00 0.00 179.25 180.77 1rps h TRP 14 N 0.04 0.00 -0.95 0.00 2.91 -0.78 -2.84 115.95 114.33 1rps h TRP 14 Ca 0.36 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.44 1rps h TRP 14 Cb 0.59 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.18 1rps h TRP 14 CO -0.50 0.44 0.62 0.78 -1.03 0.00 0.00 178.44 178.74 1rps h GLY 15 N 1.39 1.40 0.76 2.65 0.00 0.66 -2.81 103.07 107.11 1rps h GLY 15 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1rps h GLY 15 CO 0.06 0.33 -0.30 0.50 0.00 0.00 0.00 176.54 177.13 1rps h LYS 16 N 1.11 0.40 -0.96 4.80 1.79 -1.38 -3.02 116.57 119.31 1rps h LYS 16 Ca 0.40 -0.28 0.20 0.00 -2.18 0.00 0.00 60.65 58.80 1rps h LYS 16 Cb 0.16 0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 30.67 1rps h LYS 16 CO -0.15 0.89 -0.19 0.28 -1.08 0.00 0.00 179.45 179.20 1rps h VAL 17 N -0.02 0.05 0.00 0.50 2.07 -1.45 -3.42 116.25 113.97 1rps h VAL 17 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1rps h VAL 17 Cb 0.91 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1rps h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1rps n GLY 18 N -1.58 3.19 0.00 2.17 0.00 -1.08 -1.12 105.19 106.76 1rps n GLY 18 Ca 0.16 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1rps n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rps n ALA 19 N 10.47 1.95 1.34 4.61 0.00 -1.26 -2.84 120.51 134.77 1rps n ALA 19 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1rps n ALA 19 Cb 0.00 -1.27 0.44 0.00 0.00 0.00 0.00 19.45 18.62 1rps n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rps n HIS 20 N -1.22 0.11 -0.06 0.00 -0.00 -0.28 -4.53 115.22 109.24 1rps n HIS 20 Ca 0.09 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.72 57.68 1rps n HIS 20 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.09 1rps n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rps h ALA 21 N 4.22 0.20 -0.63 -1.41 0.00 -1.66 -0.86 119.26 119.13 1rps h ALA 21 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1rps h ALA 21 Cb 0.51 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1rps h ALA 21 CO 0.00 -0.44 0.24 0.78 0.00 0.00 0.00 179.25 179.84 1rps h GLY 22 N 0.05 0.89 1.07 0.00 0.00 -1.85 0.61 103.07 103.84 1rps h GLY 22 Ca 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1rps h GLY 22 CO -0.22 -0.02 0.15 0.83 0.00 0.00 0.00 176.54 177.28 1rps h GLU 23 N 0.43 1.13 -0.17 4.80 5.08 -1.67 -2.37 114.58 121.81 1rps h GLU 23 Ca 0.32 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1rps h GLU 23 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1rps h GLU 23 CO -0.31 1.01 -0.49 1.88 -1.00 0.00 0.00 179.01 180.10 1rps h TYR 24 N 1.06 0.54 -0.12 4.33 0.05 -0.34 -0.89 116.97 121.60 1rps h TYR 24 Ca 0.22 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1rps h TYR 24 Cb 0.40 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1rps h TYR 24 CO 0.03 0.85 -0.04 0.78 -1.05 0.00 0.00 178.16 178.72 1rps h GLY 25 N 1.16 0.07 1.03 3.88 0.00 -0.71 0.20 103.07 108.70 1rps h GLY 25 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1rps h GLY 25 CO 0.09 -0.06 0.45 0.00 0.00 0.00 0.00 176.54 177.01 1rps h ALA 26 N 1.09 1.11 -0.42 3.60 0.00 -1.37 -1.67 119.26 121.60 1rps h ALA 26 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1rps h ALA 26 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1rps h ALA 26 CO -0.14 0.65 0.08 1.49 0.00 0.00 0.00 179.25 181.33 1rps h GLU 27 N 1.22 0.70 -0.66 0.00 4.81 -0.54 -1.06 114.58 119.04 1rps h GLU 27 Ca 0.30 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1rps h GLU 27 Cb 0.07 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1rps h GLU 27 CO -0.04 0.72 0.41 0.00 -0.73 0.00 0.00 179.01 179.36 1rps h ALA 28 N 0.94 0.87 -0.36 2.92 0.00 -0.36 -1.05 119.26 122.21 1rps h ALA 28 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rps h ALA 28 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rps h ALA 28 CO 0.01 0.16 0.16 -0.07 0.00 0.00 0.00 179.25 179.50 1rps h LEU 29 N 0.79 0.49 -0.47 0.00 3.38 -0.99 -1.23 115.31 117.29 1rps h LEU 29 Ca 0.27 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1rps h LEU 29 Cb 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1rps h LEU 29 CO -0.11 0.50 0.25 -0.08 0.09 0.00 0.00 178.44 179.09 1rps h GLU 30 N 0.44 0.49 -0.48 1.13 4.81 -0.72 -1.42 114.58 118.84 1rps h GLU 30 Ca 0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1rps h GLU 30 Cb 0.15 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1rps h GLU 30 CO -0.01 0.33 0.05 0.00 -0.73 0.00 0.00 179.01 178.64 1rps h ARG 31 N 0.51 0.76 -0.38 1.92 3.08 -0.91 -2.58 114.38 116.77 1rps h ARG 31 Ca 0.19 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1rps h ARG 31 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1rps h ARG 31 CO -0.11 0.73 0.15 1.98 -1.07 0.00 0.00 179.97 181.65 1rps h MET 32 N 0.72 0.57 -0.62 0.04 4.05 -0.66 0.04 114.93 119.07 1rps h MET 32 Ca 0.15 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1rps h MET 32 Cb 0.36 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 1rps h MET 32 CO 0.01 0.54 0.37 0.74 0.23 0.00 0.00 176.91 178.80 1rps h PHE 33 N 0.47 0.81 0.13 1.39 0.04 -1.11 0.23 116.94 118.89 1rps h PHE 33 Ca 0.13 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.65 1rps h PHE 33 Cb 0.18 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 38.07 1rps h PHE 33 CO -0.00 0.54 -1.26 -0.07 -0.60 0.00 0.00 178.31 176.92 1rps h LEU 34 N 0.85 0.42 -0.45 1.54 3.38 -1.40 -3.28 115.31 116.38 1rps h LEU 34 Ca 0.22 -0.88 -0.17 0.00 0.09 0.00 0.00 57.88 57.14 1rps h LEU 34 Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1rps h LEU 34 CO -0.04 1.56 -0.54 0.28 0.09 0.00 0.00 178.44 179.79 1rps h SER 35 N -0.30 0.75 -2.68 -0.43 0.02 -0.95 -3.39 113.55 106.58 1rps h SER 35 Ca -0.26 -0.39 -0.60 0.00 -0.84 0.00 0.00 61.79 59.69 1rps h SER 35 Cb 1.75 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 63.67 1rps h SER 35 CO 0.09 1.14 -0.74 0.49 -1.14 0.00 0.00 176.83 176.67 1rps n PHE 36 N -3.98 1.76 0.20 3.45 3.72 0.80 -4.99 117.46 118.42 1rps n PHE 36 Ca -0.03 -3.93 0.16 0.00 -0.05 0.00 0.00 57.45 53.59 1rps n PHE 36 Cb 0.61 -0.33 0.79 0.00 -0.94 0.00 0.00 39.48 39.61 1rps n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1rps h PRO 37 N 5.21 0.00 -0.26 -1.08 0.11 -1.74 -1.24 132.00 133.00 1rps h PRO 37 Ca 0.19 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.37 1rps h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1rps h PRO 37 CO 0.61 0.00 0.25 1.79 -0.21 0.00 0.00 178.00 180.43 1rps h THR 38 N 0.00 0.54 0.00 -1.15 1.35 -1.91 -1.66 112.91 110.07 1rps h THR 38 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1rps h THR 38 Cb 0.40 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1rps h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1rps h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.54 -2.53 112.91 117.01 1rps h THR 39 Ca 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1rps h THR 39 Cb 0.61 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1rps h THR 39 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1rps h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -3.01 116.57 118.36 1rps h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rps h LYS 40 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1rps h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1rps h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.65 -0.13 112.91 112.32 1rps h THR 41 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1rps h THR 41 Cb 0.51 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1rps h THR 41 CO 0.00 0.00 -0.35 -1.22 -0.25 0.00 0.00 175.52 173.70 1rps n TYR 42 N -2.66 0.00 -2.65 4.73 4.01 -1.14 -4.26 117.16 115.20 1rps n TYR 42 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1rps n TYR 42 Cb 0.09 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1rps n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1rps n PHE 43 N -1.02 2.31 0.25 -0.72 3.01 -0.06 -4.88 117.46 116.34 1rps n PHE 43 Ca 0.09 -3.11 0.09 0.00 1.01 0.00 0.00 57.45 55.53 1rps n PHE 43 Cb 0.34 -0.26 0.64 0.00 -0.01 0.00 0.00 39.48 40.18 1rps n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1rps h PRO 44 N 2.82 0.00 0.00 -1.08 0.13 -1.74 -2.56 132.00 129.57 1rps h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1rps h PRO 44 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1rps h PRO 44 CO 0.68 0.13 -0.15 -2.39 -0.23 0.00 0.00 178.00 176.04 1rps n HIS 45 N -4.07 0.26 -3.30 1.56 1.44 -1.26 -4.90 115.22 104.94 1rps n HIS 45 Ca -0.02 0.07 -0.34 0.00 -2.01 0.00 0.00 57.72 55.42 1rps n HIS 45 Cb 0.21 -0.57 -0.06 0.00 0.12 0.00 0.00 29.99 29.69 1rps n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1rps s PHE 46 N -3.04 3.50 -0.25 -1.40 0.40 -0.97 -5.04 117.98 111.19 1rps s PHE 46 Ca 0.12 1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 57.23 1rps s PHE 46 Cb 0.17 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1rps s PHE 46 CO 0.59 0.29 1.04 0.34 0.70 0.00 0.00 175.22 178.18 1rps s ASP 47 N -2.05 7.06 -0.17 1.36 2.15 -1.26 -4.91 116.67 118.84 1rps s ASP 47 Ca 0.45 1.30 0.16 0.00 0.43 0.00 0.00 52.55 54.89 1rps s ASP 47 Cb -0.13 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.57 1rps s ASP 47 CO 0.20 -0.70 1.53 0.18 -0.17 0.00 0.00 175.17 176.20 1rps n LEU 48 N 6.41 4.44 -4.79 -1.34 4.77 -1.26 -4.48 117.00 120.75 1rps n LEU 48 Ca 0.12 -2.83 -0.32 0.00 -0.03 0.00 0.00 56.01 52.95 1rps n LEU 48 Cb 0.46 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1rps n LEU 48 CO 0.53 0.69 0.72 -0.94 -1.33 0.00 0.00 177.39 177.05 1rps s SER 49 N -1.40 5.18 0.12 -1.43 1.04 -1.26 -4.92 113.70 111.02 1rps s SER 49 Ca 0.45 1.82 -0.35 0.00 0.48 0.00 0.00 55.95 58.35 1rps s SER 49 Cb 0.34 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.79 1rps s SER 49 CO 0.13 -1.58 1.53 1.57 0.98 0.00 0.00 173.24 175.88 1rps n HIS 50 N -2.78 2.06 -0.92 5.02 -0.00 -1.26 -2.30 115.22 115.05 1rps n HIS 50 Ca 0.09 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.63 1rps n HIS 50 Cb 0.53 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 1rps n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rps n GLY 51 N 3.24 0.45 3.70 1.57 0.00 -1.26 -4.99 105.19 107.90 1rps n GLY 51 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1rps n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rps s SER 52 N -2.27 3.45 0.26 1.61 1.04 -0.97 -4.87 113.70 111.96 1rps s SER 52 Ca 0.00 2.16 0.13 0.00 0.48 0.00 0.00 55.95 58.72 1rps s SER 52 Cb 0.00 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.76 1rps s SER 52 CO 0.00 -2.75 1.51 0.00 0.98 0.00 0.00 173.24 172.98 1rps h ALA 53 N -1.43 0.72 -0.27 5.32 0.00 -1.91 -2.87 119.26 118.82 1rps h ALA 53 Ca -0.44 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1rps h ALA 53 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1rps h ALA 53 CO 0.45 0.76 0.05 1.96 0.00 0.00 0.00 179.25 182.47 1rps h GLN 54 N 0.00 0.44 -0.42 0.00 4.20 -1.92 -0.97 115.11 116.44 1rps h GLN 54 Ca -0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1rps h GLN 54 Cb 1.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1rps h GLN 54 CO 0.08 0.55 0.28 0.28 -0.67 0.00 0.00 178.83 179.34 1rps h VAL 55 N 0.25 1.11 -0.09 -0.54 2.07 -1.78 -0.36 116.25 116.91 1rps h VAL 55 Ca 0.08 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1rps h VAL 55 Cb 0.32 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1rps h VAL 55 CO 0.00 0.11 -0.44 0.11 0.02 0.00 0.00 177.57 177.37 1rps h LYS 56 N 0.57 -0.52 -0.49 1.57 1.57 -1.31 0.32 116.57 118.29 1rps h LYS 56 Ca 0.15 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1rps h LYS 56 Cb -0.06 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1rps h LYS 56 CO -0.03 -0.34 0.05 0.78 -0.57 0.00 0.00 179.45 179.34 1rps h GLY 57 N -0.54 0.83 1.86 3.86 0.00 -0.87 -1.61 103.07 106.61 1rps h GLY 57 Ca 0.06 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 1rps h GLY 57 CO -0.38 0.48 -0.73 0.84 0.00 0.00 0.00 176.54 176.75 1rps h HIS 58 N 0.74 0.18 -0.53 5.60 -0.00 -0.48 -2.55 115.15 118.10 1rps h HIS 58 Ca 0.15 -0.09 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1rps h HIS 58 Cb 0.37 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1rps h HIS 58 CO 0.02 0.81 0.25 0.78 -0.00 0.00 0.00 177.93 179.79 1rps h GLY 59 N 1.85 0.74 0.79 5.26 0.00 0.61 -1.46 103.07 110.86 1rps h GLY 59 Ca -0.02 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1rps h GLY 59 CO 0.11 0.08 0.41 1.70 0.00 0.00 0.00 176.54 178.84 1rps h LYS 60 N 0.48 0.76 -0.64 4.80 3.64 -1.10 -1.33 116.57 123.18 1rps h LYS 60 Ca 0.24 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1rps h LYS 60 Cb 0.19 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1rps h LYS 60 CO -0.19 0.50 0.12 0.87 -2.27 0.00 0.00 179.45 178.48 1rps h LYS 61 N 0.78 1.03 0.56 1.90 1.57 -1.18 0.30 116.57 121.54 1rps h LYS 61 Ca 0.29 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1rps h LYS 61 Cb 0.09 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1rps h LYS 61 CO -0.14 0.94 -0.27 0.28 -0.57 0.00 0.00 179.45 179.69 1rps h VAL 62 N 0.97 0.41 -0.73 0.50 2.07 -0.91 -2.25 116.25 116.31 1rps h VAL 62 Ca 0.20 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1rps h VAL 62 Cb 0.40 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1rps h VAL 62 CO 0.01 0.03 0.39 0.00 0.02 0.00 0.00 177.57 178.01 1rps h ALA 63 N -0.50 1.02 -0.75 1.67 0.00 -1.07 -1.56 119.26 118.05 1rps h ALA 63 Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rps h ALA 63 Cb 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1rps h ALA 63 CO 0.13 0.00 0.47 -0.44 0.00 0.00 0.00 179.25 179.41 1rps h ASP 64 N 0.66 0.78 -0.58 0.00 5.19 -0.87 0.54 116.42 122.15 1rps h ASP 64 Ca 0.35 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.71 1rps h ASP 64 Cb 0.34 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1rps h ASP 64 CO -0.25 0.53 0.15 0.00 -3.12 0.00 0.00 179.24 176.55 1rps h ALA 65 N 1.32 1.11 -0.57 3.45 0.00 -0.78 -1.17 119.26 122.62 1rps h ALA 65 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1rps h ALA 65 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1rps h ALA 65 CO -0.12 0.60 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 1rps h LEU 66 N 0.91 0.96 -0.72 0.00 3.38 -0.60 -1.28 115.31 117.96 1rps h LEU 66 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rps h LEU 66 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1rps h LEU 66 CO -0.00 1.01 0.46 0.74 0.09 0.00 0.00 178.44 180.74 1rps h THR 67 N 0.87 1.19 -0.72 0.22 2.02 -0.66 0.58 112.91 116.42 1rps h THR 67 Ca 0.17 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 67.03 1rps h THR 67 Cb 0.50 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1rps h THR 67 CO 0.02 0.19 0.41 -1.13 0.37 0.00 0.00 175.52 175.38 1rps h ASN 68 N 0.98 0.61 -0.34 4.18 -1.24 -0.99 0.17 115.58 118.95 1rps h ASN 68 Ca 0.26 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 57.19 1rps h ASN 68 Cb -0.08 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 1rps h ASN 68 CO -0.05 0.39 -0.18 0.00 -1.29 0.00 0.00 177.43 176.29 1rps h ALA 69 N 1.37 0.89 -0.16 1.57 0.00 -0.16 -1.04 119.26 121.73 1rps h ALA 69 Ca 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rps h ALA 69 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rps h ALA 69 CO -0.19 0.63 0.02 0.28 0.00 0.00 0.00 179.25 179.99 1rps h VAL 70 N 0.72 1.22 0.00 0.00 2.07 -0.44 -1.84 116.25 117.99 1rps h VAL 70 Ca 0.11 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1rps h VAL 70 Cb 0.69 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1rps h VAL 70 CO 0.05 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.82 1rps h ALA 71 N 0.81 1.36 -0.80 1.67 0.00 -0.79 -2.70 119.26 118.80 1rps h ALA 71 Ca 0.05 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.34 1rps h ALA 71 Cb 0.31 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 1rps h ALA 71 CO 0.00 0.05 -0.49 0.72 0.00 0.00 0.00 179.25 179.53 1rps n HIS 72 N -3.66 2.85 -0.26 0.00 8.25 -0.41 -4.87 115.22 117.12 1rps n HIS 72 Ca -0.02 -2.38 0.01 0.00 -0.26 0.00 0.00 57.72 55.06 1rps n HIS 72 Cb 0.14 -0.55 0.23 0.00 1.12 0.00 0.00 29.99 30.92 1rps n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1rps h VAL 73 N 1.96 1.17 0.00 1.59 3.04 -1.00 -0.06 116.25 122.95 1rps h VAL 73 Ca 0.42 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1rps h VAL 73 Cb 1.39 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1rps h VAL 73 CO 0.92 0.20 0.00 0.47 -1.01 0.00 0.00 177.57 178.15 1rps n ASP 74 N -4.43 0.00 -2.16 3.17 8.00 -1.26 -3.92 116.55 115.95 1rps n ASP 74 Ca 0.10 -0.83 -0.01 0.00 0.71 0.00 0.00 54.79 54.76 1rps n ASP 74 Cb 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1rps n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rps n ASP 75 N -0.96 0.07 0.03 -2.24 2.03 -0.06 -5.01 116.55 110.40 1rps n ASP 75 Ca 0.17 -2.07 -0.12 0.00 0.52 0.00 0.00 54.79 53.29 1rps n ASP 75 Cb 0.08 0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 1rps n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1rps h MET 76 N 1.31 0.03 -0.95 -0.67 2.86 -1.60 -1.81 114.93 114.09 1rps h MET 76 Ca -0.33 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1rps h MET 76 Cb 1.44 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.01 1rps h MET 76 CO -0.03 0.03 0.60 -1.35 1.06 0.00 0.00 176.91 177.22 1rps h PRO 77 N 0.02 0.80 0.04 -0.22 0.11 -1.94 0.48 132.00 131.28 1rps h PRO 77 Ca 0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1rps h PRO 77 Cb 0.01 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1rps h PRO 77 CO -0.00 0.53 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.39 1rps h ASN 78 N 0.82 -0.04 0.07 -2.05 4.21 -1.88 -2.26 115.58 114.44 1rps h ASN 78 Ca 0.48 -0.60 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 1rps h ASN 78 Cb 0.66 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1rps h ASN 78 CO -0.25 0.61 -0.03 0.00 -1.29 0.00 0.00 177.43 176.46 1rps h ALA 79 N 0.15 1.60 -0.48 -0.83 0.00 -0.50 -2.48 119.26 116.71 1rps h ALA 79 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rps h ALA 79 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rps h ALA 79 CO 0.01 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1rps n LEU 80 N -4.00 4.22 0.04 0.00 4.77 0.16 -4.74 117.00 117.46 1rps n LEU 80 Ca -0.03 -2.52 -0.11 0.00 -0.03 0.00 0.00 56.01 53.32 1rps n LEU 80 Cb 0.12 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1rps n LEU 80 CO 0.30 0.75 0.70 0.77 -1.33 0.00 0.00 177.39 178.58 1rps h SER 81 N 3.07 -0.71 -0.57 -1.43 4.64 -0.92 -0.65 113.55 116.99 1rps h SER 81 Ca 0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1rps h SER 81 Cb 1.33 0.30 -0.03 0.00 -0.31 0.00 0.00 62.40 63.69 1rps h SER 81 CO 0.20 -0.30 0.31 0.00 -0.87 0.00 0.00 176.83 176.17 1rps h ALA 82 N 0.52 1.44 -0.53 5.18 0.00 -1.85 0.10 119.26 124.12 1rps h ALA 82 Ca 0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1rps h ALA 82 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rps h ALA 82 CO -0.23 0.46 -0.14 1.25 0.00 0.00 0.00 179.25 180.58 1rps h LEU 83 N 0.83 1.04 -1.00 0.00 6.46 -1.72 -0.91 115.31 120.01 1rps h LEU 83 Ca 0.21 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1rps h LEU 83 Cb 0.04 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 1rps h LEU 83 CO -0.03 1.17 0.31 -1.28 -0.62 0.00 0.00 178.44 177.99 1rps h SER 84 N 0.90 0.93 0.05 1.25 0.87 -0.69 0.41 113.55 117.28 1rps h SER 84 Ca 0.13 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rps h SER 84 Cb 0.72 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1rps h SER 84 CO 0.06 0.81 -0.02 0.44 -0.53 0.00 0.00 176.83 177.58 1rps h ASP 85 N 1.01 -0.05 -0.79 6.23 3.32 -0.32 -1.89 116.42 123.92 1rps h ASP 85 Ca 0.24 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1rps h ASP 85 Cb 0.15 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1rps h ASP 85 CO -0.03 0.09 0.50 0.25 -1.72 0.00 0.00 179.24 178.33 1rps h LEU 86 N -0.19 0.81 -0.41 1.55 5.85 -0.84 -2.15 115.31 119.92 1rps h LEU 86 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1rps h LEU 86 Cb 0.17 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1rps h LEU 86 CO 0.01 0.55 -0.02 0.45 -0.34 0.00 0.00 178.44 179.09 1rps h HIS 87 N 0.95 0.82 -0.19 1.25 3.86 -0.76 -2.08 115.15 119.00 1rps h HIS 87 Ca 0.33 -0.15 -0.17 0.00 -1.16 0.00 0.00 60.37 59.22 1rps h HIS 87 Cb 0.06 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1rps h HIS 87 CO -0.03 0.83 -0.57 0.00 0.86 0.00 0.00 177.93 179.01 1rps h ALA 88 N 0.88 0.65 0.00 2.45 0.00 -1.13 0.50 119.26 122.61 1rps h ALA 88 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rps h ALA 88 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rps h ALA 88 CO 0.03 0.69 -1.14 0.72 0.00 0.00 0.00 179.25 179.55 1rps n HIS 89 N -3.95 0.00 0.05 0.00 8.25 -0.83 -4.67 115.22 114.07 1rps n HIS 89 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1rps n HIS 89 Cb 0.62 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1rps n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1rps n LYS 90 N -1.64 0.00 0.03 -0.41 4.81 -0.88 -4.92 118.16 115.16 1rps n LYS 90 Ca 0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1rps n LYS 90 Cb 0.33 -0.26 -0.09 0.00 0.02 0.00 0.00 35.03 35.03 1rps n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1rps h LEU 91 N 0.00 -0.10 -1.50 3.14 3.38 -1.43 -3.48 115.31 115.32 1rps h LEU 91 Ca 0.00 -0.39 -0.35 0.00 0.09 0.00 0.00 57.88 57.23 1rps h LEU 91 Cb 0.24 0.03 0.15 0.00 0.09 0.00 0.00 40.66 41.17 1rps h LEU 91 CO 0.00 0.36 -0.76 0.54 0.09 0.00 0.00 178.44 178.68 1rps n ARG 92 N -4.93 -6.76 -2.64 1.13 1.74 0.16 -4.94 116.66 100.43 1rps n ARG 92 Ca -0.09 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.41 1rps n ARG 92 Cb 0.25 -5.82 -0.04 0.00 -1.02 0.00 0.00 32.46 25.83 1rps n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rps s VAL 93 N -3.37 4.34 0.25 1.55 1.01 -1.26 -4.97 120.40 117.95 1rps s VAL 93 Ca 0.12 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.68 1rps s VAL 93 Cb -0.05 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1rps s VAL 93 CO 0.74 0.26 1.64 -0.62 0.00 0.00 0.00 175.10 177.12 1rps s ASP 94 N 0.24 6.39 0.56 3.32 -1.08 -1.26 -4.86 116.67 119.98 1rps s ASP 94 Ca 0.50 2.89 0.39 0.00 -0.52 0.00 0.00 52.55 55.81 1rps s ASP 94 Cb -0.25 -2.62 1.54 0.00 -1.46 0.00 0.00 42.92 40.13 1rps s ASP 94 CO 0.31 -0.93 1.69 -0.65 0.52 0.00 0.00 175.17 176.11 1rps h PRO 95 N 5.76 0.00 0.00 4.34 0.11 -2.00 -1.47 132.00 138.74 1rps h PRO 95 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1rps h PRO 95 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rps h PRO 95 CO 0.87 0.00 -0.12 0.28 -0.21 0.00 0.00 178.00 178.82 1rps h VAL 96 N 0.00 0.45 0.00 3.15 2.07 -2.03 -2.57 116.25 117.31 1rps h VAL 96 Ca 0.64 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1rps h VAL 96 Cb 2.72 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 1rps h VAL 96 CO -0.01 0.12 -0.22 0.78 0.02 0.00 0.00 177.57 178.27 1rps h ASN 97 N 0.00 0.00 -0.51 0.57 4.21 -1.63 -2.80 115.58 115.43 1rps h ASN 97 Ca -0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1rps h ASN 97 Cb 0.44 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 1rps h ASN 97 CO 0.02 0.22 0.19 -0.26 -1.29 0.00 0.00 177.43 176.31 1rps h PHE 98 N 0.00 0.83 -0.59 1.19 -1.00 -1.64 -0.73 116.94 114.99 1rps h PHE 98 Ca -0.00 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1rps h PHE 98 Cb 0.83 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.11 1rps h PHE 98 CO 0.00 0.66 0.29 0.87 -1.61 0.00 0.00 178.31 178.52 1rps h LYS 99 N 0.80 0.82 -0.04 1.51 1.57 -1.65 -1.14 116.57 118.44 1rps h LYS 99 Ca 0.19 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.63 1rps h LYS 99 Cb 0.20 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1rps h LYS 99 CO -0.01 0.63 -0.94 -0.07 -0.57 0.00 0.00 179.45 178.49 1rps h LEU 100 N 0.82 0.82 -0.24 2.94 3.38 -1.22 -1.30 115.31 120.51 1rps h LEU 100 Ca 0.21 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 1rps h LEU 100 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1rps h LEU 100 CO -0.03 1.41 -0.11 0.25 0.09 0.00 0.00 178.44 180.05 1rps h LEU 101 N 0.39 0.52 -0.36 1.67 5.85 -1.23 -2.38 115.31 119.77 1rps h LEU 101 Ca -0.09 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.30 1rps h LEU 101 Cb 1.58 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 1rps h LEU 101 CO 0.18 0.81 -0.15 0.28 -0.34 0.00 0.00 178.44 179.23 1rps h SER 102 N 0.23 -0.50 -0.78 1.25 0.02 -1.12 -0.60 113.55 112.05 1rps h SER 102 Ca 0.05 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1rps h SER 102 Cb 0.61 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 1rps h SER 102 CO 0.03 -0.18 0.49 -0.74 -1.14 0.00 0.00 176.83 175.29 1rps h HIS 103 N -0.08 0.92 0.00 3.45 -0.00 -1.20 -2.15 115.15 116.09 1rps h HIS 103 Ca 0.18 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1rps h HIS 103 Cb 0.35 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1rps h HIS 103 CO -0.37 0.51 -0.24 0.00 -0.00 0.00 0.00 177.93 177.83 1rps h LEU 105 N 0.00 0.51 -0.60 0.00 -0.00 -0.72 -0.93 115.31 113.57 1rps h LEU 105 Ca -0.00 -0.50 0.01 0.00 -0.00 0.00 0.00 57.88 57.38 1rps h LEU 105 Cb 0.48 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 1rps h LEU 105 CO 0.03 0.91 0.39 -0.07 -0.00 0.00 0.00 178.44 179.71 1rps h LEU 106 N 0.12 0.68 -0.84 1.67 3.38 -0.83 0.95 115.31 120.43 1rps h LEU 106 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rps h LEU 106 Cb 0.79 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1rps h LEU 106 CO 0.05 0.49 0.51 0.58 0.09 0.00 0.00 178.44 180.16 1rps h VAL 107 N 0.80 1.23 -0.69 1.22 2.07 -1.08 0.96 116.25 120.76 1rps h VAL 107 Ca 0.22 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1rps h VAL 107 Cb -0.08 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 1rps h VAL 107 CO -0.05 0.24 0.26 0.74 0.02 0.00 0.00 177.57 178.78 1rps h THR 108 N 1.15 1.25 -0.15 2.57 2.02 -0.45 -2.01 112.91 117.30 1rps h THR 108 Ca 0.30 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1rps h THR 108 Cb -0.05 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1rps h THR 108 CO -0.06 0.31 -0.02 -0.07 0.37 0.00 0.00 175.52 176.05 1rps h LEU 109 N 0.99 0.28 -0.97 2.58 3.38 -0.22 -2.43 115.31 118.92 1rps h LEU 109 Ca 0.23 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.99 1rps h LEU 109 Cb 0.23 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 1rps h LEU 109 CO -0.02 0.56 0.59 0.00 0.09 0.00 0.00 178.44 179.66 1rps h ALA 110 N 0.73 1.49 0.00 1.53 0.00 -0.64 -0.06 119.26 122.31 1rps h ALA 110 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rps h ALA 110 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rps h ALA 110 CO 0.01 0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.24 1rps h ALA 111 N 1.56 0.94 0.00 0.00 0.00 -1.25 -3.29 119.26 117.21 1rps h ALA 111 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1rps h ALA 111 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rps h ALA 111 CO -0.31 0.16 -1.56 0.72 0.00 0.00 0.00 179.25 178.26 1rps n HIS 112 N -3.16 0.00 -3.16 0.00 -0.00 -0.73 -4.73 115.22 103.45 1rps n HIS 112 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.53 1rps n HIS 112 Cb 0.52 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 30.16 1rps n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rps n LEU 113 N -1.94 1.53 -0.26 2.41 4.77 -0.11 -4.96 117.00 118.44 1rps n LEU 113 Ca -0.01 -5.10 0.06 0.00 -0.03 0.00 0.00 56.01 50.93 1rps n LEU 113 Cb 0.42 0.40 0.30 0.00 -2.33 0.00 0.00 43.42 42.22 1rps n LEU 113 CO 0.38 2.25 1.23 -0.65 -1.33 0.00 0.00 177.39 179.28 1rps h PRO 114 N 3.23 0.84 0.00 3.23 0.11 -1.79 -1.85 132.00 135.78 1rps h PRO 114 Ca 0.11 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 1rps h PRO 114 Cb 0.85 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1rps h PRO 114 CO 0.57 0.56 -0.61 0.00 -0.21 0.00 0.00 178.00 178.31 1rps h ALA 115 N 1.56 0.71 0.00 -0.75 0.00 -1.92 -3.28 119.26 115.58 1rps h ALA 115 Ca 0.38 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rps h ALA 115 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rps h ALA 115 CO -0.15 0.76 -0.63 0.93 0.00 0.00 0.00 179.25 180.17 1rps h GLU 116 N 0.00 0.00 -2.60 0.00 3.07 -1.77 -3.40 114.58 109.88 1rps h GLU 116 Ca -0.01 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.09 1rps h GLU 116 Cb 1.32 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 29.06 1rps h GLU 116 CO 0.08 0.00 1.99 0.34 -1.40 0.00 0.00 179.01 180.02 1rps n PHE 117 N -2.26 2.65 -1.51 4.33 7.35 -0.93 -4.84 117.46 122.25 1rps n PHE 117 Ca 0.03 -2.75 -0.29 0.00 -0.76 0.00 0.00 57.45 53.68 1rps n PHE 117 Cb 0.46 -1.66 0.12 0.00 0.35 0.00 0.00 39.48 38.75 1rps n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rps s THR 118 N -1.90 2.41 0.17 -2.13 -4.23 -1.26 -4.74 115.64 103.96 1rps s THR 118 Ca 0.48 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.98 1rps s THR 118 Cb 0.17 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.24 1rps s THR 118 CO -0.09 -0.17 1.72 -0.65 -0.54 0.00 0.00 174.62 174.89 1rps h PRO 119 N -1.37 0.20 -0.38 3.99 0.11 -1.98 0.33 132.00 132.89 1rps h PRO 119 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1rps h PRO 119 Cb 1.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1rps h PRO 119 CO 0.61 0.13 0.05 0.00 -0.21 0.00 0.00 178.00 178.58 1rps h ALA 120 N 1.34 1.39 0.02 -0.75 0.00 -1.98 0.10 119.26 119.39 1rps h ALA 120 Ca 0.22 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1rps h ALA 120 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rps h ALA 120 CO -0.29 0.44 -0.99 0.28 0.00 0.00 0.00 179.25 178.68 1rps h VAL 121 N 0.56 1.42 -0.45 0.00 2.07 -1.74 -2.35 116.25 115.75 1rps h VAL 121 Ca 0.12 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1rps h VAL 121 Cb 0.28 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1rps h VAL 121 CO 0.00 0.76 0.28 -0.74 0.02 0.00 0.00 177.57 177.89 1rps h HIS 122 N 0.20 0.59 -0.87 1.57 6.17 0.13 -2.02 115.15 120.93 1rps h HIS 122 Ca -0.09 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 60.98 1rps h HIS 122 Cb 1.64 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 31.33 1rps h HIS 122 CO 0.06 0.40 0.47 0.00 0.71 0.00 0.00 177.93 179.57 1rps h ALA 123 N 1.14 1.11 -0.04 5.26 0.00 -0.67 -2.30 119.26 123.76 1rps h ALA 123 Ca 0.16 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1rps h ALA 123 Cb -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.42 1rps h ALA 123 CO -0.03 0.62 -0.89 0.77 0.00 0.00 0.00 179.25 179.72 1rps h SER 124 N 1.21 0.65 -0.52 0.00 0.02 -1.18 -2.53 113.55 111.20 1rps h SER 124 Ca 0.30 -0.49 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 1rps h SER 124 Cb 0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1rps h SER 124 CO -0.05 1.27 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.74 1rps h LEU 125 N 0.32 1.01 -0.09 5.07 3.38 -1.33 -0.18 115.31 123.49 1rps h LEU 125 Ca -0.07 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1rps h LEU 125 Cb 1.51 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1rps h LEU 125 CO 0.16 1.12 0.04 -0.78 0.09 0.00 0.00 178.44 179.08 1rps h ASP 126 N 0.90 0.12 -1.01 -0.43 3.58 -1.38 -0.47 116.42 117.75 1rps h ASP 126 Ca 0.14 -0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.52 1rps h ASP 126 Cb 0.67 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.63 1rps h ASP 126 CO 0.05 0.22 0.65 0.11 -2.88 0.00 0.00 179.24 177.39 1rps h LYS 127 N 0.02 1.18 0.15 0.28 1.57 -1.39 -0.84 116.57 117.53 1rps h LYS 127 Ca 0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1rps h LYS 127 Cb 0.13 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1rps h LYS 127 CO -0.00 0.78 -0.07 0.35 -0.57 0.00 0.00 179.45 179.93 1rps h PHE 128 N 1.21 -0.18 -0.44 -1.35 3.57 -0.76 0.14 116.94 119.13 1rps h PHE 128 Ca 0.42 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1rps h PHE 128 Cb 0.11 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1rps h PHE 128 CO -0.00 0.05 0.26 -0.07 -2.23 0.00 0.00 178.31 176.31 1rps h LEU 129 N -0.40 0.52 -0.65 0.59 3.38 -0.82 -0.19 115.31 117.75 1rps h LEU 129 Ca -0.02 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1rps h LEU 129 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1rps h LEU 129 CO 0.03 0.41 -0.28 0.00 0.09 0.00 0.00 178.44 178.69 1rps h ALA 130 N 1.68 0.84 -0.57 1.53 0.00 -1.00 0.19 119.26 121.93 1rps h ALA 130 Ca 0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1rps h ALA 130 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rps h ALA 130 CO -0.03 0.64 -0.08 0.77 0.00 0.00 0.00 179.25 180.55 1rps h SER 131 N 0.64 1.05 -0.20 0.00 0.02 0.13 0.11 113.55 115.30 1rps h SER 131 Ca 0.08 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1rps h SER 131 Cb 0.80 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1rps h SER 131 CO 0.07 1.14 0.08 0.58 -1.14 0.00 0.00 176.83 177.55 1rps h VAL 132 N 0.94 1.16 -0.72 2.27 2.07 -0.76 -2.23 116.25 118.98 1rps h VAL 132 Ca 0.15 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.30 1rps h VAL 132 Cb 0.65 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1rps h VAL 132 CO 0.04 0.15 0.36 0.28 0.02 0.00 0.00 177.57 178.43 1rps h SER 133 N 0.17 0.48 -0.46 0.57 0.02 -0.63 -0.78 113.55 112.92 1rps h SER 133 Ca 0.07 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1rps h SER 133 Cb 0.16 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1rps h SER 133 CO -0.01 0.27 0.26 0.74 -1.14 0.00 0.00 176.83 176.96 1rps h THR 134 N 0.62 1.04 -0.70 -2.27 2.02 -0.78 -2.30 112.91 110.54 1rps h THR 134 Ca 0.35 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 1rps h THR 134 Cb 0.37 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1rps h THR 134 CO -0.27 0.10 0.24 0.58 0.37 0.00 0.00 175.52 176.54 1rps h VAL 135 N 0.53 1.25 0.00 3.16 2.07 -0.74 -1.67 116.25 120.86 1rps h VAL 135 Ca 0.18 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1rps h VAL 135 Cb 0.03 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1rps h VAL 135 CO -0.09 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 1rps h LEU 136 N 1.01 0.00 -2.59 2.57 3.38 -0.75 -2.69 115.31 116.24 1rps h LEU 136 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1rps h LEU 136 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1rps h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1rps n THR 137 N -2.86 0.80 0.26 0.22 -2.24 -0.90 -4.46 114.28 105.10 1rps n THR 137 Ca 0.02 -0.90 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1rps n THR 137 Cb 0.33 0.67 0.67 0.00 -2.10 0.00 0.00 70.33 69.90 1rps n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rps h SER 138 N 2.95 0.00 -0.30 3.42 4.64 -0.95 -2.94 113.55 120.37 1rps h SER 138 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rps h SER 138 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1rps h SER 138 CO 0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1rps n LYS 139 N -3.32 2.92 0.02 4.77 5.02 -1.26 -4.67 118.16 121.64 1rps n LYS 139 Ca -0.00 -2.89 0.01 0.00 -2.02 0.00 0.00 58.31 53.40 1rps n LYS 139 Cb 0.31 -1.87 0.34 0.00 -0.02 0.00 0.00 35.03 33.79 1rps n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1rps h TYR 140 N 1.83 0.48 0.00 2.13 -1.99 -1.85 -3.46 116.97 114.12 1rps h TYR 140 Ca 0.03 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1rps h TYR 140 Cb 1.52 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1rps h TYR 140 CO 0.59 0.45 0.00 2.89 -0.00 0.00 0.00 178.16 182.09