#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5z s LEU 2 N 0.00 4.14 0.77 1.34 1.43 -1.26 -5.04 118.68 120.05 2d5z s LEU 2 Ca 0.00 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 2d5z s LEU 2 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.73 2d5z s LEU 2 CO 0.00 -0.68 1.09 -0.94 0.23 0.00 0.00 176.35 176.05 2d5z s SER 3 N 1.40 4.73 0.29 2.29 1.04 -1.26 -4.85 113.70 117.34 2d5z s SER 3 Ca 0.47 1.37 0.04 0.00 0.48 0.00 0.00 55.95 58.31 2d5z s SER 3 Cb -0.17 -2.14 0.67 0.00 0.10 0.00 0.00 66.02 64.48 2d5z s SER 3 CO 0.09 -1.83 1.78 -0.65 0.98 0.00 0.00 173.24 173.61 2d5z h PRO 4 N -0.99 0.73 -0.62 4.02 0.11 -1.99 -1.20 132.00 132.06 2d5z h PRO 4 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2d5z h PRO 4 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2d5z h PRO 4 CO 0.59 0.48 0.35 0.00 -0.21 0.00 0.00 178.00 179.21 2d5z h ALA 5 N 1.62 0.79 -0.55 -0.75 0.00 -1.99 -1.09 119.26 117.29 2d5z h ALA 5 Ca 0.54 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2d5z h ALA 5 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2d5z h ALA 5 CO -0.37 0.30 0.31 -0.44 0.00 0.00 0.00 179.25 179.04 2d5z h ASP 6 N 0.84 0.47 -0.45 0.00 3.32 -1.62 -1.28 116.42 117.70 2d5z h ASP 6 Ca 0.22 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2d5z h ASP 6 Cb 0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2d5z h ASP 6 CO -0.04 0.32 0.04 0.11 -1.72 0.00 0.00 179.24 177.96 2d5z h LYS 7 N 0.59 0.77 -0.19 3.56 1.57 -0.90 0.20 116.57 122.18 2d5z h LYS 7 Ca 0.23 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2d5z h LYS 7 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2d5z h LYS 7 CO -0.13 0.81 -0.01 1.15 -0.57 0.00 0.00 179.45 180.69 2d5z h THR 8 N 0.63 0.86 -0.50 -0.16 2.02 -1.05 -1.28 112.91 113.43 2d5z h THR 8 Ca 0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 2d5z h THR 8 Cb 0.43 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2d5z h THR 8 CO 0.02 0.01 0.27 0.78 0.37 0.00 0.00 175.52 176.96 2d5z h ASN 9 N 0.05 0.63 -0.28 4.18 2.35 -0.86 -0.59 115.58 121.06 2d5z h ASN 9 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2d5z h ASN 9 Cb 0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2d5z h ASN 9 CO -0.16 0.54 0.14 0.58 -1.65 0.00 0.00 177.43 176.88 2d5z h VAL 10 N 0.67 1.15 -0.73 2.81 2.07 -0.88 -1.03 116.25 120.30 2d5z h VAL 10 Ca 0.18 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2d5z h VAL 10 Cb 0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2d5z h VAL 10 CO -0.03 0.15 0.28 0.11 0.02 0.00 0.00 177.57 178.10 2d5z h LYS 11 N 0.32 1.10 0.04 1.57 1.57 -1.00 0.18 116.57 120.35 2d5z h LYS 11 Ca 0.10 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2d5z h LYS 11 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2d5z h LYS 11 CO -0.01 0.92 -0.02 0.00 -0.57 0.00 0.00 179.45 179.77 2d5z h ALA 12 N 1.14 -0.05 -0.01 3.86 0.00 -1.02 -0.73 119.26 122.45 2d5z h ALA 12 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2d5z h ALA 12 Cb 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2d5z h ALA 12 CO -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 179.25 178.76 2d5z h ALA 13 N 0.80 0.01 0.00 0.00 0.00 -1.04 -3.14 119.26 115.90 2d5z h ALA 13 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2d5z h ALA 13 Cb 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2d5z h ALA 13 CO 0.01 -0.29 -0.26 2.35 0.00 0.00 0.00 179.25 181.05 2d5z h TRP 14 N -0.36 0.00 -0.42 0.00 2.91 -0.70 -1.92 115.95 115.45 2d5z h TRP 14 Ca 0.00 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.06 2d5z h TRP 14 Cb 0.39 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 2d5z h TRP 14 CO 0.06 0.26 0.28 0.78 -1.03 0.00 0.00 178.44 178.79 2d5z h GLY 15 N 0.83 0.50 2.00 2.65 0.00 -1.08 -1.54 103.07 106.43 2d5z h GLY 15 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2d5z h GLY 15 CO 0.03 0.15 -0.28 0.50 0.00 0.00 0.00 176.54 176.94 2d5z h LYS 16 N 0.43 0.00 0.77 4.80 1.79 -1.31 -3.11 116.57 119.95 2d5z h LYS 16 Ca 0.17 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2d5z h LYS 16 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2d5z h LYS 16 CO -0.04 0.28 -0.43 0.28 -1.08 0.00 0.00 179.45 178.46 2d5z h VAL 17 N 0.00 0.13 0.00 0.50 2.07 -1.31 -3.46 116.25 114.19 2d5z h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2d5z h VAL 17 Cb 0.57 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2d5z h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2d5z n GLY 18 N -1.58 3.08 0.00 2.17 0.00 -1.18 -1.03 105.19 106.64 2d5z n GLY 18 Ca -0.14 0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.25 2d5z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5z n ALA 19 N 11.28 2.37 0.01 4.61 0.00 -1.26 -3.30 120.51 134.22 2d5z n ALA 19 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.38 2d5z n ALA 19 Cb 0.00 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.39 2d5z n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d5z n HIS 20 N -0.89 1.12 0.16 0.00 -0.00 -0.20 -4.68 115.22 110.73 2d5z n HIS 20 Ca 0.14 -0.42 -0.15 0.00 -0.00 0.00 0.00 57.72 57.30 2d5z n HIS 20 Cb 0.07 -0.25 -0.09 0.00 -0.00 0.00 0.00 29.99 29.72 2d5z n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d5z h ALA 21 N 3.49 -1.01 -0.69 -1.41 0.00 -1.76 0.42 119.26 118.30 2d5z h ALA 21 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2d5z h ALA 21 Cb 1.19 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 2d5z h ALA 21 CO 0.21 -1.08 0.34 0.78 0.00 0.00 0.00 179.25 179.51 2d5z h GLY 22 N -0.74 1.02 0.98 0.00 0.00 -1.83 -0.86 103.07 101.64 2d5z h GLY 22 Ca -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2d5z h GLY 22 CO -0.17 0.07 -0.04 -2.09 0.00 0.00 0.00 176.54 174.32 2d5z h GLU 23 N 0.60 -0.10 -0.13 4.80 4.81 -1.82 -0.64 114.58 122.11 2d5z h GLU 23 Ca 0.33 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.36 2d5z h GLU 23 Cb 0.32 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2d5z h GLU 23 CO -0.25 -0.05 -0.75 1.88 -0.73 0.00 0.00 179.01 179.11 2d5z h TYR 24 N -0.12 0.84 -0.35 0.92 -1.99 -0.58 -0.96 116.97 114.73 2d5z h TYR 24 Ca -0.01 -0.37 -0.00 0.00 2.00 0.00 0.00 58.73 60.35 2d5z h TYR 24 Cb 0.10 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 2d5z h TYR 24 CO -0.07 1.17 0.21 0.78 -0.00 0.00 0.00 178.16 180.25 2d5z h GLY 25 N 0.88 0.51 1.00 3.88 0.00 -1.15 0.11 103.07 108.30 2d5z h GLY 25 Ca -0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2d5z h GLY 25 CO 0.14 0.21 0.18 0.00 0.00 0.00 0.00 176.54 177.07 2d5z h ALA 26 N 1.09 0.75 -0.29 3.60 0.00 -1.02 -1.29 119.26 122.10 2d5z h ALA 26 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2d5z h ALA 26 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2d5z h ALA 26 CO -0.02 0.41 0.16 1.49 0.00 0.00 0.00 179.25 181.29 2d5z h GLU 27 N 0.80 0.41 -0.78 0.00 4.81 -0.97 -0.98 114.58 117.87 2d5z h GLU 27 Ca 0.18 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2d5z h GLU 27 Cb 0.28 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2d5z h GLU 27 CO -0.01 0.35 0.49 0.00 -0.73 0.00 0.00 179.01 179.12 2d5z h ALA 28 N 1.04 1.02 -0.42 2.92 0.00 -0.82 0.43 119.26 123.43 2d5z h ALA 28 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2d5z h ALA 28 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2d5z h ALA 28 CO -0.02 0.29 0.25 -0.07 0.00 0.00 0.00 179.25 179.70 2d5z h LEU 29 N 0.95 0.51 -0.63 0.00 3.38 -1.03 -1.10 115.31 117.39 2d5z h LEU 29 Ca 0.31 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2d5z h LEU 29 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2d5z h LEU 29 CO -0.12 0.42 0.25 -0.08 0.09 0.00 0.00 178.44 179.00 2d5z h GLU 30 N 0.55 0.94 -0.86 1.13 4.81 -0.75 0.29 114.58 120.68 2d5z h GLU 30 Ca 0.15 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2d5z h GLU 30 Cb 0.01 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 2d5z h GLU 30 CO -0.03 0.80 0.53 0.00 -0.73 0.00 0.00 179.01 179.58 2d5z h ARG 31 N 0.88 0.94 -0.10 1.92 3.08 -0.72 -1.42 114.38 118.96 2d5z h ARG 31 Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2d5z h ARG 31 Cb 0.21 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2d5z h ARG 31 CO -0.02 0.62 0.00 1.98 -1.07 0.00 0.00 179.97 181.49 2d5z h MET 32 N 0.96 0.17 -0.45 0.04 4.05 -0.35 -0.67 114.93 118.67 2d5z h MET 32 Ca 0.38 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 2d5z h MET 32 Cb 0.19 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2d5z h MET 32 CO -0.18 0.42 0.22 0.74 0.23 0.00 0.00 176.91 178.34 2d5z h PHE 33 N -0.09 0.62 0.23 1.39 0.04 -0.69 0.12 116.94 118.55 2d5z h PHE 33 Ca 0.03 -0.01 -0.34 0.00 2.80 0.00 0.00 57.97 60.44 2d5z h PHE 33 Cb 0.34 -0.20 0.03 0.00 2.20 0.00 0.00 35.95 38.32 2d5z h PHE 33 CO 0.03 0.45 -1.60 -0.07 -0.60 0.00 0.00 178.31 176.53 2d5z h LEU 34 N 0.63 0.75 0.01 1.54 3.38 -1.22 -3.22 115.31 117.18 2d5z h LEU 34 Ca 0.16 -0.92 -0.25 0.00 0.09 0.00 0.00 57.88 56.96 2d5z h LEU 34 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2d5z h LEU 34 CO -0.02 1.74 -1.12 0.28 0.09 0.00 0.00 178.44 179.41 2d5z h SER 35 N 0.13 0.42 -2.42 -0.43 0.02 -0.98 -3.39 113.55 106.89 2d5z h SER 35 Ca -0.29 -0.41 -0.59 0.00 -0.84 0.00 0.00 61.79 59.66 2d5z h SER 35 Cb 2.14 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 64.15 2d5z h SER 35 CO 0.24 1.28 -0.84 0.49 -1.14 0.00 0.00 176.83 176.85 2d5z n PHE 36 N -3.59 1.09 0.28 3.45 3.72 0.41 -5.00 117.46 117.83 2d5z n PHE 36 Ca -0.07 -3.77 0.18 0.00 -0.05 0.00 0.00 57.45 53.73 2d5z n PHE 36 Cb 0.95 -0.26 0.96 0.00 -0.94 0.00 0.00 39.48 40.20 2d5z n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2d5z h PRO 37 N 4.90 0.00 0.00 -1.08 0.11 -1.73 -1.47 132.00 132.74 2d5z h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2d5z h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2d5z h PRO 37 CO 0.57 0.00 -0.03 1.79 -0.21 0.00 0.00 178.00 180.11 2d5z h THR 38 N 0.00 0.32 0.00 -1.15 1.35 -1.91 -1.39 112.91 110.13 2d5z h THR 38 Ca 0.03 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2d5z h THR 38 Cb 0.28 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2d5z h THR 38 CO -0.00 0.03 -0.03 0.71 -0.25 0.00 0.00 175.52 175.98 2d5z h THR 39 N 0.00 0.14 0.00 6.82 1.35 -1.59 -1.68 112.91 117.95 2d5z h THR 39 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2d5z h THR 39 Cb 0.13 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2d5z h THR 39 CO 0.00 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 2d5z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.44 -2.66 116.57 118.76 2d5z h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d5z h LYS 40 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2d5z h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2d5z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.48 -1.10 112.91 111.52 2d5z h THR 41 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2d5z h THR 41 Cb 0.26 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2d5z h THR 41 CO 0.00 0.00 -0.36 -1.22 -0.25 0.00 0.00 175.52 173.69 2d5z n TYR 42 N -2.75 0.00 -2.43 4.73 4.01 -1.00 -4.34 117.16 115.38 2d5z n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2d5z n TYR 42 Cb 0.09 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 2d5z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2d5z n PHE 43 N -1.05 2.39 0.32 -0.72 3.01 -0.42 -4.83 117.46 116.16 2d5z n PHE 43 Ca 0.09 -2.58 0.16 0.00 1.01 0.00 0.00 57.45 56.13 2d5z n PHE 43 Cb 0.34 -0.25 0.63 0.00 -0.01 0.00 0.00 39.48 40.19 2d5z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d5z h PRO 44 N 2.53 0.00 -0.04 -1.08 0.13 -1.75 -1.81 132.00 129.97 2d5z h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2d5z h PRO 44 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d5z h PRO 44 CO 0.63 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.01 2d5z n HIS 45 N -2.82 0.03 -3.93 1.56 1.44 -1.26 -4.90 115.22 105.34 2d5z n HIS 45 Ca 0.01 -0.02 -0.33 0.00 -2.01 0.00 0.00 57.72 55.37 2d5z n HIS 45 Cb 0.28 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 2d5z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d5z s PHE 46 N -1.97 3.52 -0.40 -1.40 0.40 -0.68 -5.06 117.98 112.38 2d5z s PHE 46 Ca 0.38 0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 56.75 2d5z s PHE 46 Cb 0.20 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.94 2d5z s PHE 46 CO 0.32 0.64 1.18 0.34 0.70 0.00 0.00 175.22 178.40 2d5z s ASP 47 N -1.92 6.69 0.00 1.36 2.15 -1.26 -4.91 116.67 118.78 2d5z s ASP 47 Ca 0.27 0.78 0.20 0.00 0.43 0.00 0.00 52.55 54.22 2d5z s ASP 47 Cb -0.13 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.48 2d5z s ASP 47 CO 0.18 -1.15 1.44 0.18 -0.17 0.00 0.00 175.17 175.66 2d5z n LEU 48 N 7.66 3.62 -4.70 -1.34 4.77 -1.26 -4.34 117.00 121.41 2d5z n LEU 48 Ca 0.13 -1.91 -0.34 0.00 -0.03 0.00 0.00 56.01 53.86 2d5z n LEU 48 Cb 0.48 -0.39 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2d5z n LEU 48 CO 0.67 0.88 0.78 -1.54 -1.33 0.00 0.00 177.39 176.85 2d5z n SER 49 N 1.35 1.15 -4.69 -1.43 3.41 -1.26 -4.89 113.62 107.26 2d5z n SER 49 Ca 0.21 0.62 -0.45 0.00 -0.26 0.00 0.00 58.87 58.98 2d5z n SER 49 Cb 0.57 -1.51 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 2d5z n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2d5z n HIS 50 N -3.13 2.45 -1.10 7.33 -0.00 -1.26 -1.61 115.22 117.89 2d5z n HIS 50 Ca 0.14 0.15 -0.04 0.00 0.46 0.00 0.00 57.72 58.43 2d5z n HIS 50 Cb 0.50 -2.61 -0.02 0.00 -0.12 0.00 0.00 29.99 27.75 2d5z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d5z n GLY 51 N 3.71 0.63 3.77 1.57 0.00 -1.26 -4.98 105.19 108.63 2d5z n GLY 51 Ca 0.17 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2d5z n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d5z s SER 52 N -2.45 6.43 0.40 1.61 1.04 -0.64 -4.88 113.70 115.21 2d5z s SER 52 Ca 0.00 2.97 0.10 0.00 0.48 0.00 0.00 55.95 59.50 2d5z s SER 52 Cb 0.00 -2.66 0.83 0.00 0.10 0.00 0.00 66.02 64.28 2d5z s SER 52 CO 0.00 -0.81 1.94 0.00 0.98 0.00 0.00 173.24 175.35 2d5z h ALA 53 N 3.25 1.56 -0.09 5.32 0.00 -1.90 -1.94 119.26 125.46 2d5z h ALA 53 Ca -0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2d5z h ALA 53 Cb 1.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2d5z h ALA 53 CO 0.66 0.32 0.04 0.37 0.00 0.00 0.00 179.25 180.64 2d5z h GLN 54 N 0.22 0.14 -0.68 0.00 4.15 -1.90 0.88 115.11 117.92 2d5z h GLN 54 Ca 0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2d5z h GLN 54 Cb 0.32 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2d5z h GLN 54 CO 0.02 0.24 0.25 0.28 -1.93 0.00 0.00 178.83 177.68 2d5z h VAL 55 N 0.00 1.24 -0.40 2.39 2.07 -1.71 -1.09 116.25 118.76 2d5z h VAL 55 Ca 0.03 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2d5z h VAL 55 Cb 0.15 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2d5z h VAL 55 CO -0.00 0.31 0.23 0.11 0.02 0.00 0.00 177.57 178.24 2d5z h LYS 56 N 0.98 0.55 -0.37 1.57 1.57 -1.07 0.56 116.57 120.37 2d5z h LYS 56 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2d5z h LYS 56 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2d5z h LYS 56 CO -0.02 0.42 0.14 0.78 -0.57 0.00 0.00 179.45 180.20 2d5z h GLY 57 N 0.52 0.60 0.99 3.86 0.00 -0.55 -1.51 103.07 106.98 2d5z h GLY 57 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2d5z h GLY 57 CO -0.03 0.32 0.07 0.84 0.00 0.00 0.00 176.54 177.74 2d5z h HIS 58 N 0.45 0.90 -0.99 5.60 -0.00 -1.12 -2.44 115.15 117.55 2d5z h HIS 58 Ca 0.12 -0.13 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2d5z h HIS 58 Cb 0.21 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.30 2d5z h HIS 58 CO 0.00 0.82 0.63 0.78 -0.00 0.00 0.00 177.93 180.17 2d5z h GLY 59 N 0.72 1.55 1.00 5.26 0.00 -0.72 -0.40 103.07 110.49 2d5z h GLY 59 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2d5z h GLY 59 CO 0.01 0.27 0.37 1.70 0.00 0.00 0.00 176.54 178.89 2d5z h LYS 60 N 1.10 0.87 -0.44 4.80 3.64 -0.87 -0.97 116.57 124.70 2d5z h LYS 60 Ca 0.45 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 2d5z h LYS 60 Cb 0.28 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2d5z h LYS 60 CO -0.21 0.63 0.13 0.87 -2.27 0.00 0.00 179.45 178.61 2d5z h LYS 61 N 0.86 0.69 -0.31 1.90 1.57 -0.79 0.41 116.57 120.91 2d5z h LYS 61 Ca 0.23 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2d5z h LYS 61 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2d5z h LYS 61 CO -0.04 0.67 0.14 0.28 -0.57 0.00 0.00 179.45 179.93 2d5z h VAL 62 N 0.57 1.16 -0.44 0.50 2.07 -1.00 -1.17 116.25 117.94 2d5z h VAL 62 Ca 0.14 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2d5z h VAL 62 Cb 0.27 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2d5z h VAL 62 CO -0.00 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.80 2d5z h ALA 63 N 0.99 0.59 -0.65 1.67 0.00 -1.07 -1.68 119.26 119.12 2d5z h ALA 63 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2d5z h ALA 63 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2d5z h ALA 63 CO -0.01 0.34 0.28 -0.44 0.00 0.00 0.00 179.25 179.43 2d5z h ASP 64 N 0.61 0.84 -0.90 0.00 3.32 -0.81 -0.63 116.42 118.86 2d5z h ASP 64 Ca 0.13 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2d5z h ASP 64 Cb 0.43 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2d5z h ASP 64 CO 0.01 0.74 0.48 0.00 -1.72 0.00 0.00 179.24 178.75 2d5z h ALA 65 N 1.39 1.15 -0.44 3.45 0.00 -0.89 -1.22 119.26 122.71 2d5z h ALA 65 Ca 0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2d5z h ALA 65 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2d5z h ALA 65 CO -0.02 0.67 -0.17 -0.07 0.00 0.00 0.00 179.25 179.65 2d5z h LEU 66 N 1.26 0.86 -0.73 0.00 3.38 -0.42 -0.73 115.31 118.93 2d5z h LEU 66 Ca 0.32 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2d5z h LEU 66 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2d5z h LEU 66 CO -0.05 1.03 0.46 0.74 0.09 0.00 0.00 178.44 180.70 2d5z h THR 67 N 0.76 1.20 -0.73 0.22 2.02 -0.76 0.97 112.91 116.59 2d5z h THR 67 Ca 0.11 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2d5z h THR 67 Cb 0.70 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2d5z h THR 67 CO 0.05 0.20 0.31 -1.13 0.37 0.00 0.00 175.52 175.33 2d5z h ASN 68 N 0.99 0.99 -0.63 4.18 -1.24 -1.01 -1.93 115.58 116.93 2d5z h ASN 68 Ca 0.26 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 2d5z h ASN 68 Cb -0.07 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 2d5z h ASN 68 CO -0.05 0.88 0.18 0.00 -1.29 0.00 0.00 177.43 177.14 2d5z h ALA 69 N 1.15 1.08 -0.59 1.57 0.00 -0.26 -1.54 119.26 120.66 2d5z h ALA 69 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2d5z h ALA 69 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2d5z h ALA 69 CO -0.02 0.62 0.34 0.28 0.00 0.00 0.00 179.25 180.46 2d5z h VAL 70 N 0.98 1.18 0.00 0.00 2.07 -0.63 -1.61 116.25 118.24 2d5z h VAL 70 Ca 0.21 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2d5z h VAL 70 Cb 0.32 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2d5z h VAL 70 CO -0.00 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.74 2d5z h ALA 71 N 1.16 1.48 -0.37 1.67 0.00 -0.84 -3.04 119.26 119.33 2d5z h ALA 71 Ca 0.21 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2d5z h ALA 71 Cb 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 2d5z h ALA 71 CO -0.04 0.05 -0.50 0.72 0.00 0.00 0.00 179.25 179.49 2d5z n HIS 72 N -3.84 1.31 -0.02 0.00 8.25 -0.63 -4.79 115.22 115.50 2d5z n HIS 72 Ca -0.03 -1.85 0.22 0.00 -0.26 0.00 0.00 57.72 55.81 2d5z n HIS 72 Cb 0.13 -0.37 0.71 0.00 1.12 0.00 0.00 29.99 31.59 2d5z n HIS 72 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2d5z h VAL 73 N 1.44 0.62 0.00 1.59 -1.51 -1.20 0.08 116.25 117.26 2d5z h VAL 73 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 2d5z h VAL 73 Cb 1.30 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2d5z h VAL 73 CO 0.40 0.00 -0.37 0.47 -1.23 0.00 0.00 177.57 176.85 2d5z n ASP 74 N -4.22 0.50 -2.72 4.19 8.00 -1.26 -4.26 116.55 116.78 2d5z n ASP 74 Ca 0.11 0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 2d5z n ASP 74 Cb 0.69 -0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.76 2d5z n ASP 74 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2d5z n ASP 75 N -1.80 0.51 -0.21 -2.24 3.85 -0.08 -4.99 116.55 111.58 2d5z n ASP 75 Ca 0.05 -2.71 -0.08 0.00 -0.71 0.00 0.00 54.79 51.34 2d5z n ASP 75 Cb 0.38 -0.11 0.03 0.00 -1.35 0.00 0.00 41.12 40.07 2d5z n ASP 75 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 2d5z h MET 76 N 2.77 0.95 -0.31 0.11 2.86 -1.47 -1.33 114.93 118.51 2d5z h MET 76 Ca -0.12 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.37 2d5z h MET 76 Cb 1.19 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.65 2d5z h MET 76 CO 0.36 0.85 -0.08 -1.35 1.06 0.00 0.00 176.91 177.75 2d5z h PRO 77 N 0.86 -0.00 -0.26 -0.22 0.11 -1.94 0.79 132.00 131.35 2d5z h PRO 77 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2d5z h PRO 77 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2d5z h PRO 77 CO -0.00 -0.00 0.09 -0.91 -0.21 0.00 0.00 178.00 176.96 2d5z h ASN 78 N -0.00 0.37 -0.21 -2.05 2.35 -1.94 -2.73 115.58 111.38 2d5z h ASN 78 Ca 0.15 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2d5z h ASN 78 Cb 0.23 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2d5z h ASN 78 CO -0.32 0.46 0.04 0.00 -1.65 0.00 0.00 177.43 175.96 2d5z h ALA 79 N 0.92 1.51 -0.59 -0.83 0.00 -0.95 -2.70 119.26 116.62 2d5z h ALA 79 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2d5z h ALA 79 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2d5z h ALA 79 CO -0.00 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2d5z n LEU 80 N -4.34 4.24 -0.14 0.00 4.77 0.25 -4.66 117.00 117.12 2d5z n LEU 80 Ca 0.01 -2.14 -0.03 0.00 -0.03 0.00 0.00 56.01 53.82 2d5z n LEU 80 Cb 0.20 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2d5z n LEU 80 CO 0.38 0.75 0.84 -1.28 -1.33 0.00 0.00 177.39 176.74 2d5z h SER 81 N 3.69 -0.21 -0.62 -1.43 0.87 -1.16 0.37 113.55 115.06 2d5z h SER 81 Ca 0.00 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 2d5z h SER 81 Cb 1.29 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 2d5z h SER 81 CO 0.19 -0.07 0.06 0.00 -0.53 0.00 0.00 176.83 176.48 2d5z h ALA 82 N 1.41 0.83 -0.25 6.23 0.00 -1.85 -0.77 119.26 124.85 2d5z h ALA 82 Ca 0.23 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2d5z h ALA 82 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2d5z h ALA 82 CO -0.39 0.62 -0.51 -0.07 0.00 0.00 0.00 179.25 178.91 2d5z h LEU 83 N 0.96 0.78 -0.81 0.00 3.38 -1.72 -0.25 115.31 117.65 2d5z h LEU 83 Ca 0.18 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2d5z h LEU 83 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2d5z h LEU 83 CO 0.02 1.15 -0.04 0.77 0.09 0.00 0.00 178.44 180.42 2d5z h SER 84 N 0.56 0.83 -0.31 -0.43 4.64 -0.79 -0.60 113.55 117.44 2d5z h SER 84 Ca 0.02 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2d5z h SER 84 Cb 1.07 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2d5z h SER 84 CO 0.10 0.92 0.04 -0.78 -0.87 0.00 0.00 176.83 176.25 2d5z h ASP 85 N 0.78 0.50 -0.27 4.97 3.58 -0.94 -1.84 116.42 123.20 2d5z h ASP 85 Ca 0.14 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2d5z h ASP 85 Cb 0.53 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2d5z h ASP 85 CO 0.03 0.64 0.16 0.25 -2.88 0.00 0.00 179.24 177.44 2d5z h LEU 86 N 0.34 0.33 -0.59 2.28 5.85 -0.79 -0.09 115.31 122.63 2d5z h LEU 86 Ca 0.09 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 2d5z h LEU 86 Cb 0.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2d5z h LEU 86 CO 0.01 0.30 -0.37 0.45 -0.34 0.00 0.00 178.44 178.48 2d5z h HIS 87 N 0.34 0.84 -0.43 1.25 3.86 -1.14 -1.23 115.15 118.64 2d5z h HIS 87 Ca 0.10 -0.24 -0.14 0.00 -1.16 0.00 0.00 60.37 58.93 2d5z h HIS 87 Cb 0.03 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2d5z h HIS 87 CO -0.04 0.97 -0.29 0.00 0.86 0.00 0.00 177.93 179.44 2d5z h ALA 88 N 1.00 0.61 0.00 2.45 0.00 -1.12 0.21 119.26 122.41 2d5z h ALA 88 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2d5z h ALA 88 Cb 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2d5z h ALA 88 CO 0.08 0.64 -1.30 0.72 0.00 0.00 0.00 179.25 179.39 2d5z n HIS 89 N -4.11 0.00 0.01 0.00 8.25 -0.07 -4.51 115.22 114.79 2d5z n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 2d5z n HIS 89 Cb 0.49 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 2d5z n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d5z n LYS 90 N -1.75 0.05 -0.15 -0.41 5.02 -0.73 -4.84 118.16 115.35 2d5z n LYS 90 Ca -0.01 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 2d5z n LYS 90 Cb 0.24 -0.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.84 2d5z n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2d5z h LEU 91 N -0.09 0.69 -1.41 -0.35 3.38 -1.39 -3.47 115.31 112.66 2d5z h LEU 91 Ca 0.00 -0.27 -0.45 0.00 0.09 0.00 0.00 57.88 57.25 2d5z h LEU 91 Cb 0.09 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2d5z h LEU 91 CO 0.00 0.78 -0.80 0.54 0.09 0.00 0.00 178.44 179.05 2d5z n ARG 92 N -4.48 -5.12 -2.11 1.13 1.74 0.74 -4.93 116.66 103.63 2d5z n ARG 92 Ca -0.00 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 2d5z n ARG 92 Cb 0.25 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.37 2d5z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2d5z s VAL 93 N -3.51 3.19 0.27 1.55 1.01 -1.25 -4.93 120.40 116.72 2d5z s VAL 93 Ca 0.32 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2d5z s VAL 93 Cb -0.16 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2d5z s VAL 93 CO 0.83 0.05 1.52 -0.67 0.00 0.00 0.00 175.10 176.83 2d5z n ASP 94 N 4.22 3.41 -0.22 3.32 -0.08 -1.26 -4.84 116.55 121.10 2d5z n ASP 94 Ca 0.12 1.14 0.29 0.00 -1.51 0.00 0.00 54.79 54.84 2d5z n ASP 94 Cb 0.42 -1.53 0.70 0.00 2.34 0.00 0.00 41.12 43.05 2d5z n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2d5z h PRO 95 N 4.57 0.06 -0.45 -0.67 0.11 -2.00 -1.81 132.00 131.80 2d5z h PRO 95 Ca -0.46 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.74 2d5z h PRO 95 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2d5z h PRO 95 CO 0.78 0.04 0.31 -0.24 -0.21 0.00 0.00 178.00 178.68 2d5z h VAL 96 N 0.06 0.87 0.00 3.15 3.04 -2.03 -2.29 116.25 119.04 2d5z h VAL 96 Ca 0.47 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 66.07 2d5z h VAL 96 Cb 1.78 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2d5z h VAL 96 CO -0.04 0.04 -0.10 0.78 -1.01 0.00 0.00 177.57 177.24 2d5z h ASN 97 N 0.19 0.00 -0.01 3.17 2.35 -1.68 -2.20 115.58 117.41 2d5z h ASN 97 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2d5z h ASN 97 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2d5z h ASN 97 CO -0.03 0.10 -0.09 -0.26 -1.65 0.00 0.00 177.43 175.49 2d5z h PHE 98 N 0.00 0.24 -0.36 1.19 -1.00 -1.59 -1.50 116.94 113.92 2d5z h PHE 98 Ca -0.00 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 2d5z h PHE 98 Cb 0.51 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2d5z h PHE 98 CO 0.00 0.33 -0.21 0.87 -1.61 0.00 0.00 178.31 177.69 2d5z h LYS 99 N 0.22 0.70 -0.04 1.51 1.57 -1.55 -0.39 116.57 118.60 2d5z h LYS 99 Ca 0.05 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2d5z h LYS 99 Cb 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2d5z h LYS 99 CO 0.02 0.85 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.67 2d5z h LEU 100 N 0.61 0.07 -0.69 2.94 3.38 -1.42 -1.91 115.31 118.30 2d5z h LEU 100 Ca 0.09 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2d5z h LEU 100 Cb 0.69 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2d5z h LEU 100 CO 0.05 0.38 0.01 0.25 0.09 0.00 0.00 178.44 179.23 2d5z h LEU 101 N -0.25 1.00 -0.50 1.67 5.85 -1.26 -1.96 115.31 119.86 2d5z h LEU 101 Ca 0.01 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2d5z h LEU 101 Cb 0.35 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2d5z h LEU 101 CO 0.00 1.04 0.28 0.28 -0.34 0.00 0.00 178.44 179.71 2d5z h SER 102 N 0.94 0.44 -0.51 1.25 0.02 -1.03 0.14 113.55 114.80 2d5z h SER 102 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2d5z h SER 102 Cb 0.53 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2d5z h SER 102 CO 0.03 0.31 0.34 -0.74 -1.14 0.00 0.00 176.83 175.62 2d5z h HIS 103 N 0.56 0.64 -0.07 3.45 -0.00 -1.12 -0.67 115.15 117.94 2d5z h HIS 103 Ca 0.21 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2d5z h HIS 103 Cb 0.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2d5z h HIS 103 CO -0.08 0.41 -0.36 0.00 -0.00 0.00 0.00 177.93 177.90 2d5z h LEU 105 N 0.13 0.81 -0.56 0.00 3.38 -0.38 -1.22 115.31 117.47 2d5z h LEU 105 Ca 0.01 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2d5z h LEU 105 Cb 0.70 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2d5z h LEU 105 CO 0.05 0.94 0.18 0.25 0.09 0.00 0.00 178.44 179.95 2d5z h LEU 106 N 0.66 0.82 -0.68 1.67 5.85 -0.55 -0.44 115.31 122.64 2d5z h LEU 106 Ca 0.12 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2d5z h LEU 106 Cb 0.54 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2d5z h LEU 106 CO 0.03 0.81 0.31 0.58 -0.34 0.00 0.00 178.44 179.83 2d5z h VAL 107 N 0.79 1.23 -0.39 1.05 2.07 -0.80 -0.38 116.25 119.82 2d5z h VAL 107 Ca 0.18 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2d5z h VAL 107 Cb 0.28 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2d5z h VAL 107 CO -0.01 0.28 0.26 0.74 0.02 0.00 0.00 177.57 178.86 2d5z h THR 108 N 0.96 1.10 -0.75 2.57 2.02 -0.83 -0.68 112.91 117.30 2d5z h THR 108 Ca 0.23 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 2d5z h THR 108 Cb 0.15 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2d5z h THR 108 CO -0.03 0.10 0.26 -0.07 0.37 0.00 0.00 175.52 176.15 2d5z h LEU 109 N 0.53 1.06 -1.00 2.58 3.38 -0.73 -2.43 115.31 118.70 2d5z h LEU 109 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2d5z h LEU 109 Cb -0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 2d5z h LEU 109 CO -0.03 0.97 0.60 0.00 0.09 0.00 0.00 178.44 180.07 2d5z h ALA 110 N 1.13 1.26 0.00 1.53 0.00 -0.65 -0.28 119.26 122.25 2d5z h ALA 110 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2d5z h ALA 110 Cb 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2d5z h ALA 110 CO -0.01 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2d5z h ALA 111 N 1.35 1.00 0.00 0.00 0.00 -0.68 -3.28 119.26 117.65 2d5z h ALA 111 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2d5z h ALA 111 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2d5z h ALA 111 CO -0.07 0.00 -1.17 0.72 0.00 0.00 0.00 179.25 178.73 2d5z n HIS 112 N -2.81 0.00 -3.14 0.00 -0.00 -0.89 -4.82 115.22 103.57 2d5z n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.47 2d5z n HIS 112 Cb 0.34 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 2d5z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2d5z n LEU 113 N -1.67 4.06 -0.20 2.41 4.77 -0.16 -4.94 117.00 121.28 2d5z n LEU 113 Ca -0.01 -5.56 -0.03 0.00 -0.03 0.00 0.00 56.01 50.38 2d5z n LEU 113 Cb 0.21 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2d5z n LEU 113 CO 0.18 2.24 1.05 1.55 -1.33 0.00 0.00 177.39 181.08 2d5z h PRO 114 N 3.46 0.55 -0.42 3.23 0.13 -1.85 -1.41 132.00 135.70 2d5z h PRO 114 Ca 0.16 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 2d5z h PRO 114 Cb 0.58 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2d5z h PRO 114 CO 0.81 0.37 -0.32 0.00 -0.23 0.00 0.00 178.00 178.63 2d5z h ALA 115 N 1.31 0.64 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.37 2d5z h ALA 115 Ca 0.26 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2d5z h ALA 115 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2d5z h ALA 115 CO -0.18 0.68 -0.85 0.93 0.00 0.00 0.00 179.25 179.82 2d5z h GLU 116 N 0.79 0.00 -2.98 0.00 3.07 -1.88 -3.40 114.58 110.17 2d5z h GLU 116 Ca 0.08 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.23 2d5z h GLU 116 Cb 0.90 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.77 2d5z h GLU 116 CO 0.08 0.38 3.16 0.34 -1.40 0.00 0.00 179.01 181.56 2d5z n PHE 117 N -3.06 2.61 -1.54 4.33 7.35 -0.56 -4.74 117.46 121.85 2d5z n PHE 117 Ca -0.02 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.40 2d5z n PHE 117 Cb 0.75 -2.22 0.11 0.00 0.35 0.00 0.00 39.48 38.47 2d5z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d5z s THR 118 N 0.92 2.72 0.20 -2.13 -4.23 -1.26 -4.73 115.64 107.12 2d5z s THR 118 Ca 0.60 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2d5z s THR 118 Cb 0.17 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.17 2d5z s THR 118 CO -0.07 -0.31 1.72 -0.65 -0.54 0.00 0.00 174.62 174.77 2d5z h PRO 119 N -1.22 0.27 -0.92 3.99 0.11 -1.99 0.81 132.00 133.04 2d5z h PRO 119 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2d5z h PRO 119 Cb 1.29 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2d5z h PRO 119 CO 0.60 0.18 0.57 0.00 -0.21 0.00 0.00 178.00 179.14 2d5z h ALA 120 N 1.42 1.28 -0.14 -0.75 0.00 -1.96 -1.02 119.26 118.08 2d5z h ALA 120 Ca 0.28 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2d5z h ALA 120 Cb 0.38 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2d5z h ALA 120 CO -0.34 0.64 -0.76 0.28 0.00 0.00 0.00 179.25 179.06 2d5z h VAL 121 N 1.26 1.29 -0.53 0.00 2.07 -1.71 -1.41 116.25 117.21 2d5z h VAL 121 Ca 0.33 -1.97 0.11 0.00 0.82 0.00 0.00 66.70 65.99 2d5z h VAL 121 Cb -0.09 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 2d5z h VAL 121 CO -0.07 0.62 -0.01 -0.74 0.02 0.00 0.00 177.57 177.40 2d5z h HIS 122 N 0.49 -0.04 -0.35 1.57 6.17 -0.66 0.18 115.15 122.51 2d5z h HIS 122 Ca -0.05 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 2d5z h HIS 122 Cb 1.40 0.10 -0.02 0.00 2.52 0.00 0.00 27.41 31.41 2d5z h HIS 122 CO 0.09 -0.13 0.19 0.00 0.71 0.00 0.00 177.93 178.79 2d5z h ALA 123 N 1.48 0.45 -0.51 5.26 0.00 -0.99 -0.83 119.26 124.12 2d5z h ALA 123 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2d5z h ALA 123 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2d5z h ALA 123 CO -0.45 -0.02 0.08 0.77 0.00 0.00 0.00 179.25 179.63 2d5z h SER 124 N 0.43 0.81 -0.61 0.00 0.02 -0.71 -1.27 113.55 112.22 2d5z h SER 124 Ca 0.12 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2d5z h SER 124 Cb 0.07 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2d5z h SER 124 CO -0.02 0.87 0.27 -0.07 -1.14 0.00 0.00 176.83 176.74 2d5z h LEU 125 N 0.73 0.83 -0.51 5.07 3.38 -0.54 -0.18 115.31 124.08 2d5z h LEU 125 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2d5z h LEU 125 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2d5z h LEU 125 CO 0.01 0.75 0.26 -0.78 0.09 0.00 0.00 178.44 178.77 2d5z h ASP 126 N 0.85 0.66 -0.55 -0.43 3.58 -0.93 -0.37 116.42 119.23 2d5z h ASP 126 Ca 0.21 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.58 2d5z h ASP 126 Cb 0.16 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 2d5z h ASP 126 CO -0.02 0.59 0.31 0.11 -2.88 0.00 0.00 179.24 177.35 2d5z h LYS 127 N 0.69 0.58 -0.12 0.28 1.57 -0.95 -1.56 116.57 117.05 2d5z h LYS 127 Ca 0.18 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2d5z h LYS 127 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2d5z h LYS 127 CO -0.02 0.38 0.04 0.35 -0.57 0.00 0.00 179.45 179.63 2d5z h PHE 128 N 0.60 0.07 -0.62 -1.35 3.57 -0.67 -0.28 116.94 118.26 2d5z h PHE 128 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2d5z h PHE 128 Cb 0.10 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2d5z h PHE 128 CO -0.08 0.04 0.29 -0.07 -2.23 0.00 0.00 178.31 176.26 2d5z h LEU 129 N 0.10 0.79 -0.78 0.59 3.38 -0.91 0.49 115.31 118.97 2d5z h LEU 129 Ca 0.05 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2d5z h LEU 129 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2d5z h LEU 129 CO -0.06 0.67 -0.21 0.00 0.09 0.00 0.00 178.44 178.94 2d5z h ALA 130 N 1.45 0.96 -0.28 1.53 0.00 -0.99 -0.82 119.26 121.11 2d5z h ALA 130 Ca 0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2d5z h ALA 130 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2d5z h ALA 130 CO -0.03 0.61 -0.09 1.03 0.00 0.00 0.00 179.25 180.77 2d5z h SER 131 N 0.62 0.57 -0.21 0.00 0.87 -0.19 0.16 113.55 115.37 2d5z h SER 131 Ca 0.09 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2d5z h SER 131 Cb 0.69 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 2d5z h SER 131 CO 0.05 0.82 -0.02 0.58 -0.53 0.00 0.00 176.83 177.73 2d5z h VAL 132 N 0.32 0.82 -0.93 2.23 2.07 -0.83 -0.92 116.25 119.01 2d5z h VAL 132 Ca 0.07 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2d5z h VAL 132 Cb 0.58 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2d5z h VAL 132 CO 0.03 0.01 0.61 0.28 0.02 0.00 0.00 177.57 178.52 2d5z h SER 133 N 0.03 1.04 -0.26 0.57 0.02 -0.99 0.05 113.55 114.01 2d5z h SER 133 Ca 0.10 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2d5z h SER 133 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2d5z h SER 133 CO -0.19 0.74 0.11 0.74 -1.14 0.00 0.00 176.83 177.09 2d5z h THR 134 N 1.23 0.96 -0.54 -2.27 2.02 -0.62 -1.76 112.91 111.93 2d5z h THR 134 Ca 0.35 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 2d5z h THR 134 Cb -0.10 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2d5z h THR 134 CO -0.09 0.04 0.28 0.58 0.37 0.00 0.00 175.52 176.70 2d5z h VAL 135 N 0.24 1.19 0.00 3.16 2.07 -0.69 -1.63 116.25 120.59 2d5z h VAL 135 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2d5z h VAL 135 Cb 0.06 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2d5z h VAL 135 CO -0.10 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 2d5z h LEU 136 N 0.72 0.00 -2.08 2.57 3.38 -0.72 -2.41 115.31 116.76 2d5z h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2d5z h LEU 136 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2d5z h LEU 136 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 2d5z n THR 137 N -2.75 0.41 0.34 0.22 -2.24 -0.69 -4.45 114.28 105.12 2d5z n THR 137 Ca 0.00 -0.70 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2d5z n THR 137 Cb 0.22 0.97 0.57 0.00 -2.10 0.00 0.00 70.33 70.00 2d5z n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2d5z h SER 138 N 2.71 0.00 -0.46 3.42 4.64 -0.77 -2.50 113.55 120.60 2d5z h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d5z h SER 138 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2d5z h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2d5z n LYS 139 N -2.42 2.64 0.01 4.77 5.02 -1.26 -4.70 118.16 122.21 2d5z n LYS 139 Ca 0.01 -2.22 -0.01 0.00 -2.02 0.00 0.00 58.31 54.07 2d5z n LYS 139 Cb 0.21 -1.39 0.27 0.00 -0.02 0.00 0.00 35.03 34.10 2d5z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2d5z h TYR 140 N 3.03 0.54 0.00 2.13 -1.99 -1.77 -3.47 116.97 115.44 2d5z h TYR 140 Ca 0.00 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2d5z h TYR 140 Cb 0.83 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2d5z h TYR 140 CO 0.30 0.58 0.00 2.89 -0.00 0.00 0.00 178.16 181.93