#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmy n LEU 2 N 0.00 -1.44 -4.93 6.55 4.77 -1.26 -5.08 117.00 115.61 1cmy n LEU 2 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1cmy n LEU 2 Cb 0.00 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.39 1cmy n LEU 2 CO 0.00 0.00 0.42 -0.94 -1.33 0.00 0.00 177.39 175.54 1cmy s SER 3 N 0.00 5.79 0.57 -1.43 1.04 -1.26 -4.82 113.70 113.60 1cmy s SER 3 Ca 0.00 0.58 0.30 0.00 0.48 0.00 0.00 55.95 57.32 1cmy s SER 3 Cb 0.00 -1.73 1.45 0.00 0.10 0.00 0.00 66.02 65.84 1cmy s SER 3 CO 0.00 -0.84 1.85 1.55 0.98 0.00 0.00 173.24 176.78 1cmy h PRO 4 N 0.11 0.00 0.02 4.02 0.13 -1.98 0.64 132.00 134.94 1cmy h PRO 4 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cmy h PRO 4 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1cmy h PRO 4 CO 0.60 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.36 1cmy h ALA 5 N 1.43 -0.03 0.03 -0.56 0.00 -1.99 -2.51 119.26 115.63 1cmy h ALA 5 Ca 0.33 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1cmy h ALA 5 Cb 1.54 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1cmy h ALA 5 CO -0.00 -0.11 -0.29 -0.44 0.00 0.00 0.00 179.25 178.40 1cmy h ASP 6 N -0.83 -0.86 -0.90 0.00 3.32 -0.70 -1.08 116.42 115.37 1cmy h ASP 6 Ca -0.00 0.11 0.25 0.00 0.02 0.00 0.00 57.03 57.41 1cmy h ASP 6 Cb 0.74 0.34 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 1cmy h ASP 6 CO 0.00 -0.37 0.18 0.50 -1.72 0.00 0.00 179.24 177.84 1cmy h LYS 7 N -0.46 0.14 -0.13 3.56 3.64 -0.05 0.15 116.57 123.41 1cmy h LYS 7 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1cmy h LYS 7 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1cmy h LYS 7 CO -0.23 0.09 0.04 1.15 -2.27 0.00 0.00 179.45 178.23 1cmy h THR 8 N 0.14 1.18 0.10 1.00 2.02 -0.76 -2.62 112.91 113.97 1cmy h THR 8 Ca 0.57 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1cmy h THR 8 Cb 1.17 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1cmy h THR 8 CO -0.72 0.16 -0.05 0.78 0.37 0.00 0.00 175.52 176.06 1cmy h ASN 9 N 0.02 -0.12 -0.68 4.18 -0.26 -0.24 -0.65 115.58 117.84 1cmy h ASN 9 Ca 0.04 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1cmy h ASN 9 Cb 0.22 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.48 1cmy h ASN 9 CO -0.00 -0.08 0.44 0.58 -1.06 0.00 0.00 177.43 177.31 1cmy h VAL 10 N -0.14 1.15 0.00 2.81 2.07 -0.82 0.12 116.25 121.43 1cmy h VAL 10 Ca -0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1cmy h VAL 10 Cb 0.11 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1cmy h VAL 10 CO 0.02 0.16 -0.22 0.11 0.02 0.00 0.00 177.57 177.66 1cmy h LYS 11 N 0.89 0.00 0.20 1.57 1.57 -1.36 -2.66 116.57 116.77 1cmy h LYS 11 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1cmy h LYS 11 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1cmy h LYS 11 CO -0.07 0.22 -0.09 0.00 -0.57 0.00 0.00 179.45 178.94 1cmy h ALA 12 N 1.78 -0.26 -0.76 3.86 0.00 0.11 -2.45 119.26 121.54 1cmy h ALA 12 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1cmy h ALA 12 Cb 0.63 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1cmy h ALA 12 CO 0.03 -0.28 0.44 0.00 0.00 0.00 0.00 179.25 179.44 1cmy h ALA 13 N -0.74 1.04 -0.36 0.00 0.00 -0.84 -1.76 119.26 116.60 1cmy h ALA 13 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1cmy h ALA 13 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1cmy h ALA 13 CO 0.04 0.12 -0.29 2.35 0.00 0.00 0.00 179.25 181.47 1cmy h TRP 14 N 0.79 0.99 -0.66 0.00 2.91 -1.61 0.36 115.95 118.73 1cmy h TRP 14 Ca 0.34 -0.28 0.14 0.00 1.13 0.00 0.00 58.89 60.22 1cmy h TRP 14 Cb 0.23 -0.21 -0.10 0.00 -0.51 0.00 0.00 29.16 28.56 1cmy h TRP 14 CO -0.06 1.07 0.09 0.78 -1.03 0.00 0.00 178.44 179.29 1cmy h GLY 15 N 0.63 0.81 1.02 2.65 0.00 -0.89 0.23 103.07 107.53 1cmy h GLY 15 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1cmy h GLY 15 CO 0.08 -0.18 0.52 0.50 0.00 0.00 0.00 176.54 177.46 1cmy h LYS 16 N 0.20 1.25 -0.17 4.80 1.79 -0.94 -3.17 116.57 120.33 1cmy h LYS 16 Ca 0.35 -0.13 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1cmy h LYS 16 Cb 0.58 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1cmy h LYS 16 CO -0.49 0.89 -0.08 0.28 -1.08 0.00 0.00 179.45 178.97 1cmy h VAL 17 N 1.26 0.74 0.00 0.50 2.07 0.16 -3.48 116.25 117.51 1cmy h VAL 17 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1cmy h VAL 17 Cb -0.01 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1cmy h VAL 17 CO -0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.14 1cmy n GLY 18 N -1.23 1.66 0.00 2.17 0.00 -0.90 -3.00 105.19 103.90 1cmy n GLY 18 Ca -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.47 1cmy n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cmy n ALA 19 N 6.32 1.12 1.62 4.61 0.00 -1.26 -1.19 120.51 131.73 1cmy n ALA 19 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1cmy n ALA 19 Cb 0.00 -1.04 0.60 0.00 0.00 0.00 0.00 19.45 19.02 1cmy n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cmy n HIS 20 N -1.48 0.04 -0.13 0.00 8.25 -1.16 -4.10 115.22 116.64 1cmy n HIS 20 Ca 0.01 -0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1cmy n HIS 20 Cb 0.03 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 1cmy n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cmy h ALA 21 N 4.13 -0.36 -0.96 -1.41 0.00 -1.30 0.33 119.26 119.69 1cmy h ALA 21 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1cmy h ALA 21 Cb 0.32 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1cmy h ALA 21 CO 0.00 -0.83 0.62 0.78 0.00 0.00 0.00 179.25 179.82 1cmy h GLY 22 N -0.30 1.36 1.40 0.00 0.00 -1.84 -0.33 103.07 103.36 1cmy h GLY 22 Ca 0.15 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1cmy h GLY 22 CO -0.58 0.51 0.36 0.83 0.00 0.00 0.00 176.54 177.66 1cmy h GLU 23 N 1.30 0.80 0.09 4.80 5.08 -1.12 -2.74 114.58 122.80 1cmy h GLU 23 Ca 0.35 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.37 1cmy h GLU 23 Cb -0.13 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 28.97 1cmy h GLU 23 CO -0.07 0.56 -1.17 1.88 -1.00 0.00 0.00 179.01 179.21 1cmy h TYR 24 N 0.82 0.85 -0.06 4.33 0.05 0.29 -3.11 116.97 120.14 1cmy h TYR 24 Ca 0.22 -0.52 0.01 0.00 0.05 0.00 0.00 58.73 58.48 1cmy h TYR 24 Cb -0.04 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1cmy h TYR 24 CO 0.00 1.37 0.04 0.78 -1.05 0.00 0.00 178.16 179.30 1cmy h GLY 25 N 0.72 0.06 1.57 3.88 0.00 -0.78 -0.72 103.07 107.79 1cmy h GLY 25 Ca -0.15 -0.02 -0.27 0.00 0.00 0.00 0.00 47.33 46.88 1cmy h GLY 25 CO 0.22 0.02 -1.22 0.00 0.00 0.00 0.00 176.54 175.56 1cmy h ALA 26 N 1.97 0.11 -0.42 3.60 0.00 -1.58 -2.96 119.26 119.98 1cmy h ALA 26 Ca 0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.99 1cmy h ALA 26 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1cmy h ALA 26 CO -0.00 0.91 -0.11 1.49 0.00 0.00 0.00 179.25 181.54 1cmy h GLU 27 N 0.11 0.74 -0.03 0.00 4.81 -1.27 -1.85 114.58 117.09 1cmy h GLU 27 Ca -0.14 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1cmy h GLU 27 Cb 1.92 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 1cmy h GLU 27 CO 0.21 0.82 0.01 0.00 -0.73 0.00 0.00 179.01 179.32 1cmy h ALA 28 N 1.21 0.03 -0.23 2.92 0.00 -1.18 0.12 119.26 122.13 1cmy h ALA 28 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1cmy h ALA 28 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1cmy h ALA 28 CO 0.04 -0.48 0.08 -0.07 0.00 0.00 0.00 179.25 178.81 1cmy h LEU 29 N 0.03 0.33 -0.18 0.00 3.38 -1.39 -0.56 115.31 116.92 1cmy h LEU 29 Ca 0.01 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1cmy h LEU 29 Cb 0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1cmy h LEU 29 CO -0.01 0.44 -0.31 -0.08 0.09 0.00 0.00 178.44 178.57 1cmy h GLU 30 N 0.20 -0.34 -1.00 1.13 4.81 -1.16 0.36 114.58 118.57 1cmy h GLU 30 Ca 0.07 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1cmy h GLU 30 Cb 0.22 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 1cmy h GLU 30 CO -0.00 -0.23 0.63 0.00 -0.73 0.00 0.00 179.01 178.68 1cmy h ARG 31 N -0.36 0.99 -0.00 1.92 3.08 -0.58 -2.27 114.38 117.16 1cmy h ARG 31 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1cmy h ARG 31 Cb 0.53 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1cmy h ARG 31 CO -0.38 0.66 0.00 1.98 -1.07 0.00 0.00 179.97 181.16 1cmy h MET 32 N 1.02 0.01 -0.54 0.04 4.05 0.87 -1.39 114.93 118.99 1cmy h MET 32 Ca 0.49 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.89 1cmy h MET 32 Cb 0.44 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1cmy h MET 32 CO -0.25 0.10 0.25 0.74 0.23 0.00 0.00 176.91 177.97 1cmy h PHE 33 N -0.09 0.75 0.21 1.39 0.04 0.05 0.69 116.94 119.98 1cmy h PHE 33 Ca 0.00 -0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.47 1cmy h PHE 33 Cb 0.09 -0.24 0.03 0.00 2.20 0.00 0.00 35.95 38.04 1cmy h PHE 33 CO -0.05 0.56 -1.23 -0.07 -0.60 0.00 0.00 178.31 176.93 1cmy h LEU 34 N 0.76 0.69 0.07 1.54 4.07 -1.36 -3.13 115.31 117.96 1cmy h LEU 34 Ca 0.19 -0.93 -0.25 0.00 0.08 0.00 0.00 57.88 56.97 1cmy h LEU 34 Cb 0.10 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1cmy h LEU 34 CO -0.02 1.59 -1.17 0.28 -1.08 0.00 0.00 178.44 178.04 1cmy h SER 35 N -0.06 0.23 -2.97 -0.43 0.02 -1.19 -3.39 113.55 105.76 1cmy h SER 35 Ca -0.22 -0.25 -0.61 0.00 -0.84 0.00 0.00 61.79 59.88 1cmy h SER 35 Cb 1.96 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 64.03 1cmy h SER 35 CO 0.22 1.20 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.98 1cmy s PHE 36 N -2.67 2.09 0.49 3.45 0.08 0.24 -4.97 117.98 116.68 1cmy s PHE 36 Ca -0.02 -2.62 0.24 0.00 0.12 0.00 0.00 56.93 54.64 1cmy s PHE 36 Cb 0.08 -1.76 1.45 0.00 -0.57 0.00 0.00 43.02 42.23 1cmy s PHE 36 CO 0.85 -0.73 2.13 -1.35 -0.10 0.00 0.00 175.22 176.02 1cmy h PRO 37 N 5.99 0.00 0.00 0.24 0.11 -1.70 -2.53 132.00 134.11 1cmy h PRO 37 Ca 0.13 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1cmy h PRO 37 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1cmy h PRO 37 CO 0.50 0.08 -0.23 1.79 -0.21 0.00 0.00 178.00 179.93 1cmy h THR 38 N 0.00 1.07 0.00 -1.15 1.35 -1.91 -2.16 112.91 110.11 1cmy h THR 38 Ca -0.00 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 64.99 1cmy h THR 38 Cb 0.18 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1cmy h THR 38 CO 0.01 0.22 -0.26 0.71 -0.25 0.00 0.00 175.52 175.95 1cmy h THR 39 N 0.00 0.80 -0.04 6.82 1.35 -1.78 -2.71 112.91 117.35 1cmy h THR 39 Ca -0.00 -1.07 0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1cmy h THR 39 Cb 0.43 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1cmy h THR 39 CO 0.03 0.26 0.28 0.11 -0.25 0.00 0.00 175.52 175.95 1cmy h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -1.22 116.57 120.11 1cmy h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cmy h LYS 40 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1cmy h LYS 40 CO 0.03 0.00 0.00 1.15 -0.57 0.00 0.00 179.45 180.06 1cmy h THR 41 N 0.00 0.00 0.00 -0.16 2.02 -1.64 -2.46 112.91 110.68 1cmy h THR 41 Ca 0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1cmy h THR 41 Cb 0.58 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1cmy h THR 41 CO -0.00 0.00 -0.66 1.88 0.37 0.00 0.00 175.52 177.11 1cmy h TYR 42 N 0.00 0.00 -2.28 3.16 -1.99 -1.47 -3.38 116.97 111.01 1cmy h TYR 42 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 1cmy h TYR 42 Cb 0.20 0.00 -0.42 0.00 2.00 0.00 0.00 36.73 38.51 1cmy h TYR 42 CO 0.00 0.00 -0.59 1.19 -0.00 0.00 0.00 178.16 178.76 1cmy n PHE 43 N -2.35 3.99 0.25 4.88 3.01 -0.92 -4.85 117.46 121.46 1cmy n PHE 43 Ca 0.02 -3.98 0.13 0.00 1.01 0.00 0.00 57.45 54.63 1cmy n PHE 43 Cb 0.48 -0.52 0.62 0.00 -0.01 0.00 0.00 39.48 40.06 1cmy n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cmy h PRO 44 N 3.15 0.00 -0.51 -1.08 0.11 -1.76 -2.37 132.00 129.55 1cmy h PRO 44 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1cmy h PRO 44 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1cmy h PRO 44 CO 0.83 0.14 0.00 -2.39 -0.21 0.00 0.00 178.00 176.37 1cmy n HIS 45 N -3.38 1.71 -4.60 0.65 1.44 -1.26 -4.93 115.22 104.85 1cmy n HIS 45 Ca -0.00 -0.75 -0.33 0.00 -2.01 0.00 0.00 57.72 54.63 1cmy n HIS 45 Cb 0.33 -0.42 -0.11 0.00 0.12 0.00 0.00 29.99 29.90 1cmy n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1cmy s PHE 46 N -2.64 2.85 -0.55 -1.40 0.40 -0.89 -5.05 117.98 110.70 1cmy s PHE 46 Ca 0.51 -0.06 -0.22 0.00 -0.60 0.00 0.00 56.93 56.56 1cmy s PHE 46 Cb 0.38 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 42.33 1cmy s PHE 46 CO 0.15 0.32 0.84 0.34 0.70 0.00 0.00 175.22 177.58 1cmy s ASP 47 N -1.11 6.28 -0.02 1.36 2.15 -1.26 -4.86 116.67 119.20 1cmy s ASP 47 Ca 0.14 -0.64 0.07 0.00 0.43 0.00 0.00 52.55 52.56 1cmy s ASP 47 Cb -0.11 -2.39 0.23 0.00 -0.30 0.00 0.00 42.92 40.36 1cmy s ASP 47 CO 0.04 -1.16 1.12 0.18 -0.17 0.00 0.00 175.17 175.18 1cmy n LEU 48 N 7.09 1.63 -4.81 -1.34 4.32 -1.26 -4.23 117.00 118.39 1cmy n LEU 48 Ca -0.02 -0.82 -0.33 0.00 -0.02 0.00 0.00 56.01 54.83 1cmy n LEU 48 Cb 0.46 -0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 41.99 1cmy n LEU 48 CO 0.61 0.34 0.71 -0.55 -1.22 0.00 0.00 177.39 177.28 1cmy s SER 49 N -0.82 6.08 0.00 -1.43 0.15 -1.26 -4.91 113.70 111.51 1cmy s SER 49 Ca 0.17 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1cmy s SER 49 Cb 0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1cmy s SER 49 CO 0.10 -0.96 0.18 1.57 1.20 0.00 0.00 173.24 175.32 1cmy n HIS 50 N -1.74 0.00 0.53 3.44 -0.00 -1.26 0.57 115.22 116.75 1cmy n HIS 50 Ca 0.08 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.30 1cmy n HIS 50 Cb 0.53 -0.07 0.15 0.00 -0.12 0.00 0.00 29.99 30.48 1cmy n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cmy n GLY 51 N -0.88 1.50 3.67 1.57 0.00 -1.26 -4.95 105.19 104.83 1cmy n GLY 51 Ca 0.00 -0.35 -0.51 0.00 0.00 0.00 0.00 46.02 45.15 1cmy n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cmy n SER 52 N 0.30 2.69 0.23 1.61 2.88 0.19 -4.78 113.62 116.74 1cmy n SER 52 Ca 0.11 1.06 0.16 0.00 -1.33 0.00 0.00 58.87 58.86 1cmy n SER 52 Cb 0.50 -1.28 0.60 0.00 -0.75 0.00 0.00 64.21 63.28 1cmy n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cmy h ALA 53 N 6.97 1.00 0.47 -1.46 0.00 -1.88 0.01 119.26 124.37 1cmy h ALA 53 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1cmy h ALA 53 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1cmy h ALA 53 CO 0.90 0.00 -0.23 1.96 0.00 0.00 0.00 179.25 181.89 1cmy h GLN 54 N 0.00 -0.61 -0.19 0.00 4.20 -1.86 0.53 115.11 117.17 1cmy h GLN 54 Ca 0.00 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1cmy h GLN 54 Cb 0.51 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1cmy h GLN 54 CO 0.00 -0.31 -0.05 0.28 -0.67 0.00 0.00 178.83 178.09 1cmy h VAL 55 N -0.94 1.15 -0.12 -0.54 2.07 -1.65 -0.80 116.25 115.43 1cmy h VAL 55 Ca -0.06 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1cmy h VAL 55 Cb 0.59 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1cmy h VAL 55 CO 0.11 0.20 0.07 0.11 0.02 0.00 0.00 177.57 178.07 1cmy h LYS 56 N 0.27 0.16 0.00 1.57 6.56 -0.78 -1.86 116.57 122.49 1cmy h LYS 56 Ca 0.06 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1cmy h LYS 56 Cb 0.27 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1cmy h LYS 56 CO 0.01 0.15 -0.07 0.78 -2.06 0.00 0.00 179.45 178.26 1cmy h GLY 57 N 0.12 0.00 1.38 3.86 0.00 -0.43 -3.17 103.07 104.83 1cmy h GLY 57 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.12 1cmy h GLY 57 CO -0.01 0.00 -1.03 0.84 0.00 0.00 0.00 176.54 176.34 1cmy h HIS 58 N 0.00 0.82 -0.93 5.60 -0.00 -0.81 -3.01 115.15 116.81 1cmy h HIS 58 Ca -0.00 -0.46 0.11 0.00 -0.00 0.00 0.00 60.37 60.02 1cmy h HIS 58 Cb 0.89 -0.09 -0.08 0.00 -0.00 0.00 0.00 27.41 28.13 1cmy h HIS 58 CO 0.00 1.30 0.56 0.78 -0.00 0.00 0.00 177.93 180.57 1cmy h GLY 59 N 0.82 1.50 0.98 5.26 0.00 -1.32 0.10 103.07 110.41 1cmy h GLY 59 Ca -0.11 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1cmy h GLY 59 CO 0.19 0.14 0.06 0.50 0.00 0.00 0.00 176.54 177.42 1cmy h LYS 60 N 0.90 0.79 0.07 4.80 1.57 -1.58 0.24 116.57 123.36 1cmy h LYS 60 Ca 0.46 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1cmy h LYS 60 Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1cmy h LYS 60 CO -0.27 0.81 -0.37 0.87 -0.57 0.00 0.00 179.45 179.93 1cmy h LYS 61 N 0.65 -0.50 0.15 3.15 1.57 -0.79 1.06 116.57 121.86 1cmy h LYS 61 Ca 0.14 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1cmy h LYS 61 Cb 0.42 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1cmy h LYS 61 CO 0.01 -0.33 -0.27 0.28 -0.57 0.00 0.00 179.45 178.58 1cmy h VAL 62 N -0.52 0.42 -0.73 0.50 2.07 -0.86 -0.32 116.25 116.82 1cmy h VAL 62 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1cmy h VAL 62 Cb 0.52 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 30.60 1cmy h VAL 62 CO -0.21 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.47 1cmy h ALA 63 N 0.21 0.84 -0.08 1.67 0.00 -0.24 0.29 119.26 121.95 1cmy h ALA 63 Ca 0.02 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1cmy h ALA 63 Cb 0.51 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1cmy h ALA 63 CO -0.13 -0.39 -0.46 -0.44 0.00 0.00 0.00 179.25 177.82 1cmy h ASP 64 N 0.17 0.21 0.60 0.00 3.32 0.17 -1.91 116.42 118.98 1cmy h ASP 64 Ca 0.41 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 1cmy h ASP 64 Cb 0.71 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1cmy h ASP 64 CO -0.58 0.65 -0.53 0.00 -1.72 0.00 0.00 179.24 177.05 1cmy h ALA 65 N 1.36 1.06 0.00 3.45 0.00 0.12 -1.25 119.26 124.00 1cmy h ALA 65 Ca 0.01 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 1cmy h ALA 65 Cb 0.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1cmy h ALA 65 CO 0.07 0.66 -0.87 -0.07 0.00 0.00 0.00 179.25 179.05 1cmy h LEU 66 N 0.00 0.03 -0.69 0.00 3.38 -0.42 -2.56 115.31 115.05 1cmy h LEU 66 Ca -0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1cmy h LEU 66 Cb 0.97 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1cmy h LEU 66 CO 0.07 0.88 -0.48 0.74 0.09 0.00 0.00 178.44 179.74 1cmy h THR 67 N 0.01 1.32 -0.26 0.22 2.02 -1.01 -2.05 112.91 113.16 1cmy h THR 67 Ca -0.01 -1.69 -0.11 0.00 0.77 0.00 0.00 66.41 65.37 1cmy h THR 67 Cb 1.53 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1cmy h THR 67 CO 0.11 0.52 -0.31 -1.13 0.37 0.00 0.00 175.52 175.08 1cmy h ASN 68 N 0.35 0.56 0.62 4.18 -0.73 -1.09 -2.31 115.58 117.17 1cmy h ASN 68 Ca 0.02 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 1cmy h ASN 68 Cb 0.97 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 39.41 1cmy h ASN 68 CO 0.08 0.85 -0.30 0.00 -0.37 0.00 0.00 177.43 177.69 1cmy h ALA 69 N 1.19 -0.83 -0.65 1.57 0.00 -1.17 -3.17 119.26 116.19 1cmy h ALA 69 Ca 0.06 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1cmy h ALA 69 Cb 0.78 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1cmy h ALA 69 CO 0.06 -0.85 -0.07 0.28 0.00 0.00 0.00 179.25 178.68 1cmy h VAL 70 N -1.08 0.40 -2.66 0.00 2.07 -1.37 0.78 116.25 114.39 1cmy h VAL 70 Ca -0.09 -0.02 -0.74 0.00 0.82 0.00 0.00 66.70 66.67 1cmy h VAL 70 Cb 0.69 0.34 -0.20 0.00 -1.52 0.00 0.00 31.29 30.59 1cmy h VAL 70 CO 0.14 0.01 0.92 0.00 0.02 0.00 0.00 177.57 178.66 1cmy s ALA 71 N -6.18 3.99 0.00 1.67 0.00 -0.87 -2.81 121.76 117.56 1cmy s ALA 71 Ca -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.52 1cmy s ALA 71 Cb 0.20 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1cmy s ALA 71 CO 0.74 -2.67 0.00 0.72 0.00 0.00 0.00 175.76 174.55 1cmy n HIS 72 N 5.15 0.00 0.21 0.00 -0.00 -0.93 -4.71 115.22 114.93 1cmy n HIS 72 Ca 0.29 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.17 1cmy n HIS 72 Cb 0.44 0.00 0.82 0.00 -0.00 0.00 0.00 29.99 31.26 1cmy n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1cmy h VAL 73 N 0.00 0.52 -0.34 1.59 3.04 0.74 0.38 116.25 122.19 1cmy h VAL 73 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1cmy h VAL 73 Cb 0.00 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1cmy h VAL 73 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1cmy n ASP 74 N -3.88 1.93 -2.61 3.17 9.92 -1.26 -4.00 116.55 119.81 1cmy n ASP 74 Ca 0.01 -2.03 -0.04 0.00 -0.53 0.00 0.00 54.79 52.20 1cmy n ASP 74 Cb 0.29 -0.26 0.11 0.00 -0.64 0.00 0.00 41.12 40.62 1cmy n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1cmy n ASP 75 N 0.48 -1.55 -0.03 -2.24 2.03 0.12 -5.02 116.55 110.34 1cmy n ASP 75 Ca 0.12 -2.21 -0.08 0.00 0.52 0.00 0.00 54.79 53.13 1cmy n ASP 75 Cb 0.32 0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 41.51 1cmy n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1cmy h MET 76 N 1.37 -0.18 -0.55 -0.67 2.86 -1.33 -2.16 114.93 114.26 1cmy h MET 76 Ca -0.36 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1cmy h MET 76 Cb 1.28 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.88 1cmy h MET 76 CO -0.13 -0.12 -0.52 -1.35 1.06 0.00 0.00 176.91 175.85 1cmy h PRO 77 N -0.19 -0.27 -0.68 -0.22 0.11 -1.94 1.11 132.00 129.93 1cmy h PRO 77 Ca 0.12 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1cmy h PRO 77 Cb 0.37 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1cmy h PRO 77 CO -0.32 -0.18 0.27 -0.97 -0.21 0.00 0.00 178.00 176.59 1cmy h ASN 78 N -0.28 0.91 0.11 -2.05 -1.24 -1.94 -0.72 115.58 110.36 1cmy h ASN 78 Ca 0.13 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1cmy h ASN 78 Cb 0.56 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1cmy h ASN 78 CO -0.68 0.82 -0.05 0.00 -1.29 0.00 0.00 177.43 176.22 1cmy h ALA 79 N 1.32 -0.14 -0.48 1.57 0.00 -0.30 -3.12 119.26 118.10 1cmy h ALA 79 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cmy h ALA 79 Cb 0.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1cmy h ALA 79 CO -0.02 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 179.98 1cmy n LEU 80 N -5.10 2.70 -0.38 0.00 4.77 0.36 -4.63 117.00 114.73 1cmy n LEU 80 Ca -0.08 -1.35 -0.07 0.00 -0.03 0.00 0.00 56.01 54.48 1cmy n LEU 80 Cb 0.13 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1cmy n LEU 80 CO 0.34 0.64 0.48 -1.54 -1.33 0.00 0.00 177.39 175.98 1cmy n SER 81 N 0.89 -0.84 -0.07 -1.43 3.41 -0.29 -1.18 113.62 114.12 1cmy n SER 81 Ca 0.16 1.64 -0.08 0.00 -0.26 0.00 0.00 58.87 60.34 1cmy n SER 81 Cb 0.44 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1cmy n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cmy h ALA 82 N 0.78 0.30 -0.07 7.33 0.00 -1.85 -2.77 119.26 122.97 1cmy h ALA 82 Ca 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1cmy h ALA 82 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cmy h ALA 82 CO -0.89 -0.33 -0.08 -0.07 0.00 0.00 0.00 179.25 177.88 1cmy h LEU 83 N 0.19 0.09 -0.48 0.00 3.38 -1.49 -1.81 115.31 115.19 1cmy h LEU 83 Ca 0.13 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1cmy h LEU 83 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cmy h LEU 83 CO -0.15 0.19 -0.24 0.28 0.09 0.00 0.00 178.44 178.62 1cmy h SER 84 N 0.10 1.03 0.36 -0.43 0.02 -0.86 -1.95 113.55 111.82 1cmy h SER 84 Ca 0.02 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1cmy h SER 84 Cb 0.21 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1cmy h SER 84 CO 0.01 1.21 -0.17 0.44 -1.14 0.00 0.00 176.83 177.18 1cmy h ASP 85 N 0.86 -0.40 0.20 3.07 3.32 -1.37 0.47 116.42 122.56 1cmy h ASP 85 Ca 0.11 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1cmy h ASP 85 Cb 0.82 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1cmy h ASP 85 CO 0.07 -0.24 -0.40 0.25 -1.72 0.00 0.00 179.24 177.20 1cmy h LEU 86 N -0.53 -1.14 -0.15 1.55 7.12 -1.32 -0.21 115.31 120.62 1cmy h LEU 86 Ca -0.05 0.12 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 1cmy h LEU 86 Cb 0.40 0.41 -0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1cmy h LEU 86 CO 0.08 -0.49 -0.06 0.45 -0.13 0.00 0.00 178.44 178.29 1cmy h HIS 87 N -0.68 0.35 0.03 1.25 3.86 -1.31 1.17 115.15 119.81 1cmy h HIS 87 Ca 0.01 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 1cmy h HIS 87 Cb 0.68 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1cmy h HIS 87 CO -0.31 0.61 -0.37 0.00 0.86 0.00 0.00 177.93 178.72 1cmy h ALA 88 N 0.69 0.04 -0.72 2.45 0.00 -0.09 0.18 119.26 121.81 1cmy h ALA 88 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1cmy h ALA 88 Cb 0.51 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1cmy h ALA 88 CO 0.02 0.20 0.00 0.72 0.00 0.00 0.00 179.25 180.19 1cmy n HIS 89 N -4.48 0.00 -0.18 0.00 -0.00 -0.43 -3.07 115.22 107.06 1cmy n HIS 89 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.48 1cmy n HIS 89 Cb 0.58 -0.38 0.01 0.00 -0.00 0.00 0.00 29.99 30.20 1cmy n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1cmy h LYS 90 N 0.00 0.91 0.07 -0.41 3.64 -0.94 -3.32 116.57 116.53 1cmy h LYS 90 Ca 0.00 -0.29 -0.35 0.00 -1.27 0.00 0.00 60.65 58.74 1cmy h LYS 90 Cb 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1cmy h LYS 90 CO 0.00 0.94 -2.00 1.28 -2.27 0.00 0.00 179.45 177.40 1cmy n LEU 91 N -4.30 2.05 -3.35 5.20 4.77 0.40 -5.00 117.00 116.78 1cmy n LEU 91 Ca 0.01 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1cmy n LEU 91 Cb 0.32 -0.66 0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1cmy n LEU 91 CO 0.43 0.72 0.06 0.54 -1.33 0.00 0.00 177.39 177.80 1cmy n ARG 92 N -3.30 -4.12 -2.69 3.23 5.12 0.36 -4.92 116.66 110.35 1cmy n ARG 92 Ca -0.30 0.84 -0.42 0.00 -1.93 0.00 0.00 57.85 56.05 1cmy n ARG 92 Cb 1.05 -5.78 -0.03 0.00 -1.16 0.00 0.00 32.46 26.53 1cmy n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1cmy s VAL 93 N -3.39 4.67 0.12 1.55 1.01 0.31 -4.98 120.40 119.69 1cmy s VAL 93 Ca 0.25 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.94 1cmy s VAL 93 Cb -0.04 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1cmy s VAL 93 CO 0.74 0.21 1.68 -0.62 0.00 0.00 0.00 175.10 177.12 1cmy s ASP 94 N 0.64 6.53 0.46 3.32 -1.08 -1.26 -4.84 116.67 120.44 1cmy s ASP 94 Ca 0.51 2.62 0.27 0.00 -0.52 0.00 0.00 52.55 55.43 1cmy s ASP 94 Cb -0.23 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 39.98 1cmy s ASP 94 CO 0.29 -0.91 1.77 1.55 0.52 0.00 0.00 175.17 178.39 1cmy h PRO 95 N 7.87 0.20 -0.65 4.34 0.13 -1.98 -0.45 132.00 141.45 1cmy h PRO 95 Ca -0.43 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1cmy h PRO 95 Cb 1.21 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1cmy h PRO 95 CO 0.93 0.13 0.43 -0.24 -0.23 0.00 0.00 178.00 179.03 1cmy h VAL 96 N 0.21 1.06 0.00 1.56 3.04 -2.02 -1.43 116.25 118.66 1cmy h VAL 96 Ca 0.61 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 66.05 1cmy h VAL 96 Cb 1.93 0.27 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1cmy h VAL 96 CO -0.19 0.13 -0.00 0.78 -1.01 0.00 0.00 177.57 177.28 1cmy h ASN 97 N 0.73 0.00 0.72 3.17 -0.26 -1.44 0.84 115.58 119.33 1cmy h ASN 97 Ca 0.27 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.90 1cmy h ASN 97 Cb 0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1cmy h ASN 97 CO -0.08 0.00 -0.51 -0.26 -1.06 0.00 0.00 177.43 175.53 1cmy h PHE 98 N 0.00 0.00 -0.05 1.19 -1.00 -1.38 -0.02 116.94 115.67 1cmy h PHE 98 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 1cmy h PHE 98 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1cmy h PHE 98 CO 0.00 0.51 -0.77 0.87 -1.61 0.00 0.00 178.31 177.30 1cmy h LYS 99 N 0.00 0.35 -0.06 1.51 1.57 -0.89 -1.75 116.57 117.30 1cmy h LYS 99 Ca -0.01 -0.31 -0.23 0.00 -1.87 0.00 0.00 60.65 58.23 1cmy h LYS 99 Cb 1.00 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.40 1cmy h LYS 99 CO 0.07 0.97 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.95 1cmy h LEU 100 N 0.23 0.79 0.13 2.94 3.38 -1.19 -2.59 115.31 119.00 1cmy h LEU 100 Ca -0.04 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 1cmy h LEU 100 Cb 1.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1cmy h LEU 100 CO 0.13 1.37 -0.06 0.25 0.09 0.00 0.00 178.44 180.22 1cmy h LEU 101 N 0.39 -0.15 -0.96 1.67 5.85 -0.99 -2.77 115.31 118.37 1cmy h LEU 101 Ca -0.08 -0.25 0.16 0.00 0.84 0.00 0.00 57.88 58.55 1cmy h LEU 101 Cb 1.53 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.50 1cmy h LEU 101 CO 0.17 0.17 0.56 0.28 -0.34 0.00 0.00 178.44 179.29 1cmy h SER 102 N -0.48 0.74 0.13 1.25 0.02 -1.39 -0.12 113.55 113.69 1cmy h SER 102 Ca -0.02 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1cmy h SER 102 Cb 0.38 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1cmy h SER 102 CO 0.03 0.31 -0.14 -0.74 -1.14 0.00 0.00 176.83 175.15 1cmy h HIS 103 N 0.78 -0.35 -0.08 3.45 -0.00 -1.32 -0.47 115.15 117.15 1cmy h HIS 103 Ca 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.84 1cmy h HIS 103 Cb 0.73 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1cmy h HIS 103 CO -0.03 -0.21 -0.23 0.00 -0.00 0.00 0.00 177.93 177.46 1cmy h LEU 105 N 0.12 0.45 0.49 0.00 5.85 -0.61 0.11 115.31 121.73 1cmy h LEU 105 Ca 0.02 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1cmy h LEU 105 Cb 0.47 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1cmy h LEU 105 CO 0.03 0.53 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.36 1cmy h LEU 106 N 0.35 -0.56 -1.02 2.25 3.38 -0.50 0.24 115.31 119.44 1cmy h LEU 106 Ca 0.10 -0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.28 1cmy h LEU 106 Cb 0.23 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 1cmy h LEU 106 CO -0.00 -0.34 0.60 0.58 0.09 0.00 0.00 178.44 179.37 1cmy h VAL 107 N -0.74 0.60 -0.21 1.22 2.07 -0.61 0.13 116.25 118.70 1cmy h VAL 107 Ca -0.07 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1cmy h VAL 107 Cb 0.55 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1cmy h VAL 107 CO 0.11 0.12 -0.11 0.74 0.02 0.00 0.00 177.57 178.45 1cmy h THR 108 N 0.64 1.31 -0.23 2.57 2.02 -0.37 -1.34 112.91 117.51 1cmy h THR 108 Ca 0.62 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1cmy h THR 108 Cb 1.12 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 1cmy h THR 108 CO -0.43 0.36 -0.07 -0.07 0.37 0.00 0.00 175.52 175.67 1cmy h LEU 109 N 0.15 -0.26 -0.84 2.58 4.07 0.12 -2.55 115.31 118.58 1cmy h LEU 109 Ca 0.05 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1cmy h LEU 109 Cb 0.60 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.46 1cmy h LEU 109 CO 0.03 -0.10 0.51 0.00 -1.08 0.00 0.00 178.44 177.81 1cmy h ALA 110 N 1.19 1.08 0.00 1.53 0.00 -0.82 0.18 119.26 122.42 1cmy h ALA 110 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cmy h ALA 110 Cb 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cmy h ALA 110 CO -0.25 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1cmy h ALA 111 N 1.28 1.00 0.00 0.00 0.00 -0.85 -3.32 119.26 117.37 1cmy h ALA 111 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1cmy h ALA 111 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1cmy h ALA 111 CO -0.06 0.00 -1.40 0.72 0.00 0.00 0.00 179.25 178.51 1cmy n HIS 112 N -2.77 0.00 -3.48 0.00 -0.00 -0.98 -4.86 115.22 103.12 1cmy n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1cmy n HIS 112 Cb 0.28 -0.27 -0.09 0.00 -0.00 0.00 0.00 29.99 29.91 1cmy n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1cmy n LEU 113 N -2.09 2.48 0.24 2.41 4.77 0.02 -4.89 117.00 119.94 1cmy n LEU 113 Ca -0.08 -5.14 0.10 0.00 -0.03 0.00 0.00 56.01 50.86 1cmy n LEU 113 Cb 0.55 -0.31 0.62 0.00 -2.33 0.00 0.00 43.42 41.96 1cmy n LEU 113 CO 0.14 1.97 0.91 -0.65 -1.33 0.00 0.00 177.39 178.43 1cmy h PRO 114 N 4.55 0.00 0.64 3.23 0.11 -1.83 0.13 132.00 138.84 1cmy h PRO 114 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1cmy h PRO 114 Cb 0.75 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.86 1cmy h PRO 114 CO 0.69 0.17 -0.31 0.00 -0.21 0.00 0.00 178.00 178.35 1cmy h ALA 115 N 1.83 -0.86 0.00 -0.75 0.00 -1.93 -3.33 119.26 114.21 1cmy h ALA 115 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cmy h ALA 115 Cb 0.43 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1cmy h ALA 115 CO 0.02 -0.83 -0.27 0.39 0.00 0.00 0.00 179.25 178.56 1cmy n GLU 116 N -5.36 0.21 -1.56 0.00 -0.58 -1.13 -4.54 120.64 107.68 1cmy n GLU 116 Ca -0.11 0.12 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 1cmy n GLU 116 Cb 0.36 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1cmy n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1cmy n PHE 117 N -2.04 2.65 -1.80 -0.32 7.35 0.46 -4.76 117.46 119.00 1cmy n PHE 117 Ca 0.05 -3.01 -0.31 0.00 -0.76 0.00 0.00 57.45 53.41 1cmy n PHE 117 Cb 0.41 -2.36 0.03 0.00 0.35 0.00 0.00 39.48 37.91 1cmy n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cmy s THR 118 N 1.62 4.18 0.51 -2.13 -4.23 -1.26 -4.75 115.64 109.58 1cmy s THR 118 Ca 0.62 0.80 0.25 0.00 -1.18 0.00 0.00 61.69 62.17 1cmy s THR 118 Cb 0.17 -3.53 0.41 0.00 1.34 0.00 0.00 72.50 70.89 1cmy s THR 118 CO -0.07 -0.84 1.96 -0.65 -0.54 0.00 0.00 174.62 174.48 1cmy h PRO 119 N -0.27 0.07 0.10 3.99 0.11 -1.98 0.91 132.00 134.93 1cmy h PRO 119 Ca -0.45 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 1cmy h PRO 119 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1cmy h PRO 119 CO 0.58 0.05 -1.30 0.00 -0.21 0.00 0.00 178.00 177.12 1cmy h ALA 120 N 1.68 0.20 0.04 -0.75 0.00 -1.96 -3.01 119.26 115.46 1cmy h ALA 120 Ca 0.31 -0.97 -0.25 0.00 0.00 0.00 0.00 54.91 54.00 1cmy h ALA 120 Cb 1.13 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1cmy h ALA 120 CO -0.03 1.08 -1.05 0.28 0.00 0.00 0.00 179.25 179.53 1cmy h VAL 121 N 0.06 1.38 -0.74 0.00 2.07 -1.28 -2.85 116.25 114.88 1cmy h VAL 121 Ca -0.15 -2.51 0.05 0.00 0.82 0.00 0.00 66.70 64.91 1cmy h VAL 121 Cb 1.96 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 34.21 1cmy h VAL 121 CO 0.18 0.75 0.45 -0.74 0.02 0.00 0.00 177.57 178.23 1cmy h HIS 122 N 0.24 0.84 -0.48 1.57 6.17 0.66 -0.20 115.15 123.94 1cmy h HIS 122 Ca -0.11 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 60.87 1cmy h HIS 122 Cb 1.71 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 31.36 1cmy h HIS 122 CO 0.08 0.44 -0.16 0.00 0.71 0.00 0.00 177.93 179.00 1cmy h ALA 123 N 1.34 0.66 -0.03 5.26 0.00 -1.51 -1.67 119.26 123.31 1cmy h ALA 123 Ca 0.31 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1cmy h ALA 123 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cmy h ALA 123 CO -0.15 0.61 -0.63 0.77 0.00 0.00 0.00 179.25 179.85 1cmy h SER 124 N 0.80 0.15 0.06 0.00 0.02 -1.22 -0.26 113.55 113.09 1cmy h SER 124 Ca 0.12 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1cmy h SER 124 Cb 0.73 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1cmy h SER 124 CO 0.06 0.74 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.39 1cmy h LEU 125 N 0.09 -0.07 -0.52 5.07 4.07 -0.96 -1.06 115.31 121.94 1cmy h LEU 125 Ca -0.01 -0.40 0.06 0.00 0.08 0.00 0.00 57.88 57.61 1cmy h LEU 125 Cb 1.13 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.84 1cmy h LEU 125 CO 0.09 0.38 0.23 -0.78 -1.08 0.00 0.00 178.44 177.28 1cmy h ASP 126 N -0.53 0.28 -0.07 -0.43 1.82 -1.23 0.12 116.42 116.39 1cmy h ASP 126 Ca -0.01 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1cmy h ASP 126 Cb 0.47 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 1cmy h ASP 126 CO 0.01 0.19 0.04 0.11 -1.61 0.00 0.00 179.24 177.99 1cmy h LYS 127 N 0.44 0.09 -0.39 0.28 1.57 -1.00 -2.16 116.57 115.39 1cmy h LYS 127 Ca 0.24 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1cmy h LYS 127 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1cmy h LYS 127 CO -0.21 0.10 0.18 0.35 -0.57 0.00 0.00 179.45 179.30 1cmy h PHE 128 N 0.05 0.32 -0.04 -1.35 3.04 -0.58 -2.24 116.94 116.15 1cmy h PHE 128 Ca 0.02 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1cmy h PHE 128 Cb 0.03 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1cmy h PHE 128 CO -0.06 0.16 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.18 1cmy h LEU 129 N 0.36 0.06 -0.61 0.59 3.38 -0.65 -1.53 115.31 116.92 1cmy h LEU 129 Ca 0.17 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1cmy h LEU 129 Cb 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1cmy h LEU 129 CO -0.13 0.21 -0.70 0.00 0.09 0.00 0.00 178.44 177.91 1cmy h ALA 130 N 1.80 0.85 0.01 1.53 0.00 -0.82 -1.76 119.26 120.86 1cmy h ALA 130 Ca 0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1cmy h ALA 130 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cmy h ALA 130 CO 0.02 0.86 -0.00 0.77 0.00 0.00 0.00 179.25 180.90 1cmy h SER 131 N 0.01 -0.01 -0.33 0.00 0.02 -0.82 -0.72 113.55 111.70 1cmy h SER 131 Ca -0.01 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1cmy h SER 131 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1cmy h SER 131 CO 0.09 0.37 -0.04 0.58 -1.14 0.00 0.00 176.83 176.69 1cmy h VAL 132 N -0.39 0.71 -0.66 2.27 2.07 -1.32 -2.12 116.25 116.82 1cmy h VAL 132 Ca -0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1cmy h VAL 132 Cb 0.39 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1cmy h VAL 132 CO 0.00 0.01 0.42 0.28 0.02 0.00 0.00 177.57 178.30 1cmy h SER 133 N 0.04 0.71 -0.74 0.57 0.02 -1.23 -0.85 113.55 112.07 1cmy h SER 133 Ca 0.16 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1cmy h SER 133 Cb 0.23 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1cmy h SER 133 CO -0.30 0.51 0.34 0.74 -1.14 0.00 0.00 176.83 176.98 1cmy h THR 134 N 0.85 1.24 -0.10 -2.27 2.02 -0.58 -1.58 112.91 112.49 1cmy h THR 134 Ca 0.25 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1cmy h THR 134 Cb -0.05 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1cmy h THR 134 CO -0.08 0.30 -0.33 0.58 0.37 0.00 0.00 175.52 176.36 1cmy h VAL 135 N 1.08 1.39 0.00 3.16 2.07 -1.13 0.23 116.25 123.05 1cmy h VAL 135 Ca 0.26 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1cmy h VAL 135 Cb 0.14 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1cmy h VAL 135 CO -0.03 0.49 0.00 0.18 0.02 0.00 0.00 177.57 178.23 1cmy n LEU 136 N -4.40 0.00 0.00 2.57 4.77 -0.35 -1.11 117.00 118.49 1cmy n LEU 136 Ca -0.08 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1cmy n LEU 136 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1cmy n LEU 136 CO 0.42 -0.25 0.27 0.35 -1.33 0.00 0.00 177.39 176.85 1cmy n THR 137 N -1.36 0.28 0.30 -5.08 -2.24 -0.62 -3.83 114.28 101.72 1cmy n THR 137 Ca 0.04 -0.45 0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1cmy n THR 137 Cb 0.09 1.07 0.84 0.00 -2.10 0.00 0.00 70.33 70.23 1cmy n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1cmy h SER 138 N 0.00 0.00 0.98 3.42 4.64 0.11 -1.86 113.55 120.83 1cmy h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cmy h SER 138 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1cmy h SER 138 CO 0.00 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.13 1cmy n LYS 139 N -2.80 0.03 0.04 4.77 4.81 -1.26 -2.25 118.16 121.50 1cmy n LYS 139 Ca -0.01 0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 1cmy n LYS 139 Cb 0.15 -1.53 -0.13 0.00 0.02 0.00 0.00 35.03 33.54 1cmy n LYS 139 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1cmy h TYR 140 N 0.00 0.10 -0.01 5.64 0.05 -1.68 -3.48 116.97 117.59 1cmy h TYR 140 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1cmy h TYR 140 Cb 0.49 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1cmy h TYR 140 CO 0.00 1.07 0.00 0.54 -1.05 0.00 0.00 178.16 178.72