#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmy n HIS 2 N 0.00 -0.55 -2.52 6.34 -0.00 -1.26 -4.95 115.22 112.27 1cmy n HIS 2 Ca 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 57.72 57.81 1cmy n HIS 2 Cb 0.00 0.32 -0.01 0.00 -0.00 0.00 0.00 29.99 30.30 1cmy n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1cmy n LEU 3 N -2.85 -3.70 -4.76 0.27 4.77 -1.26 -4.92 117.00 104.56 1cmy n LEU 3 Ca 0.00 1.52 -0.31 0.00 -0.03 0.00 0.00 56.01 57.20 1cmy n LEU 3 Cb 0.00 -2.11 0.10 0.00 -2.33 0.00 0.00 43.42 39.08 1cmy n LEU 3 CO 0.00 -2.62 0.69 0.42 -1.33 0.00 0.00 177.39 174.55 1cmy s THR 4 N -0.21 3.15 0.26 -5.08 -4.23 -1.26 -4.57 115.64 103.70 1cmy s THR 4 Ca -0.05 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1cmy s THR 4 Cb 0.00 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1cmy s THR 4 CO 0.13 -0.49 1.66 1.55 -0.54 0.00 0.00 174.62 176.93 1cmy h PRO 5 N -1.23 0.19 -0.15 3.99 0.13 -1.98 0.86 132.00 133.80 1cmy h PRO 5 Ca -0.45 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cmy h PRO 5 Cb 1.25 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1cmy h PRO 5 CO 0.53 0.12 0.08 1.05 -0.23 0.00 0.00 178.00 179.56 1cmy h GLU 6 N 0.19 0.20 -0.19 0.86 4.11 -1.99 0.11 114.58 117.87 1cmy h GLU 6 Ca 0.45 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.87 1cmy h GLU 6 Cb 0.82 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1cmy h GLU 6 CO -0.60 0.20 0.10 0.93 0.07 0.00 0.00 179.01 179.71 1cmy h GLU 7 N 0.15 0.20 -0.64 1.06 5.08 -1.12 -1.25 114.58 118.05 1cmy h GLU 7 Ca 0.05 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1cmy h GLU 7 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1cmy h GLU 7 CO -0.01 0.13 0.39 -0.22 -1.00 0.00 0.00 179.01 178.31 1cmy h LYS 8 N 0.21 0.74 -0.54 2.33 3.11 0.82 0.51 116.57 123.75 1cmy h LYS 8 Ca 0.08 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1cmy h LYS 8 Cb 0.01 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.05 1cmy h LYS 8 CO -0.05 0.49 0.34 0.66 -2.81 0.00 0.00 179.45 178.08 1cmy h SER 9 N 0.76 0.62 -0.03 4.20 4.64 -0.32 0.20 113.55 123.63 1cmy h SER 9 Ca 0.26 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1cmy h SER 9 Cb 0.04 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1cmy h SER 9 CO -0.11 0.47 -0.01 0.00 -0.87 0.00 0.00 176.83 176.31 1cmy h ALA 10 N 1.64 0.04 0.52 5.18 0.00 0.07 -1.52 119.26 125.19 1cmy h ALA 10 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1cmy h ALA 10 Cb -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1cmy h ALA 10 CO -0.04 -0.26 -0.25 0.28 0.00 0.00 0.00 179.25 178.98 1cmy h VAL 11 N -0.29 0.49 -0.24 0.00 2.07 -0.53 -2.45 116.25 115.29 1cmy h VAL 11 Ca 0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1cmy h VAL 11 Cb 0.39 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1cmy h VAL 11 CO 0.00 0.01 0.09 0.74 0.02 0.00 0.00 177.57 178.44 1cmy h THR 12 N -0.73 0.96 -0.17 2.57 2.02 -1.05 -0.80 112.91 115.71 1cmy h THR 12 Ca -0.07 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1cmy h THR 12 Cb 0.55 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1cmy h THR 12 CO 0.12 0.04 0.12 0.00 0.37 0.00 0.00 175.52 176.17 1cmy h ALA 13 N 1.14 2.09 0.00 6.16 0.00 -1.28 -2.02 119.26 125.35 1cmy h ALA 13 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cmy h ALA 13 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1cmy h ALA 13 CO -0.10 -0.13 -0.12 -0.07 0.00 0.00 0.00 179.25 178.83 1cmy h LEU 14 N 0.06 0.00 -2.01 0.00 3.38 -0.90 -3.34 115.31 112.50 1cmy h LEU 14 Ca 0.08 -0.45 0.16 0.00 0.09 0.00 0.00 57.88 57.75 1cmy h LEU 14 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1cmy h LEU 14 CO -0.01 0.79 0.40 -0.25 0.09 0.00 0.00 178.44 179.47 1cmy h TRP 15 N -1.00 0.00 -0.70 1.13 2.91 -1.08 0.56 115.95 117.76 1cmy h TRP 15 Ca -0.02 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.07 1cmy h TRP 15 Cb 0.54 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.13 1cmy h TRP 15 CO 0.11 0.00 0.38 0.78 -1.03 0.00 0.00 178.44 178.68 1cmy h GLY 16 N 0.00 1.04 2.00 2.65 0.00 -1.48 -2.53 103.07 104.75 1cmy h GLY 16 Ca 0.26 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1cmy h GLY 16 CO -0.00 0.14 -0.82 0.50 0.00 0.00 0.00 176.54 176.35 1cmy h LYS 17 N 0.69 0.00 -6.12 4.80 1.57 -1.02 -3.47 116.57 113.02 1cmy h LYS 17 Ca 0.32 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.34 1cmy h LYS 17 Cb 0.24 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.57 1cmy h LYS 17 CO -0.21 0.82 0.72 0.28 -0.57 0.00 0.00 179.45 180.49 1cmy n VAL 18 N -3.35 0.16 -2.57 0.50 0.31 -0.95 -4.89 118.33 107.54 1cmy n VAL 18 Ca 0.00 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 1cmy n VAL 18 Cb 0.85 -0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 32.85 1cmy n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1cmy s ASN 19 N 2.66 6.27 0.52 4.52 3.84 -1.26 -4.86 114.94 126.63 1cmy s ASN 19 Ca 0.97 -0.80 0.18 0.00 0.21 0.00 0.00 52.86 53.42 1cmy s ASN 19 Cb -1.17 -2.56 1.29 0.00 -0.55 0.00 0.00 41.25 38.26 1cmy s ASN 19 CO 0.66 -1.71 2.11 1.62 -2.79 0.00 0.00 177.10 176.99 1cmy h VAL 20 N 6.27 0.94 0.04 -5.21 3.04 -1.94 0.15 116.25 119.55 1cmy h VAL 20 Ca -0.12 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1cmy h VAL 20 Cb 1.04 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1cmy h VAL 20 CO 1.32 0.00 -0.02 0.44 -1.01 0.00 0.00 177.57 178.31 1cmy h ASP 21 N 0.02 -0.04 -0.00 3.17 3.32 -1.97 -3.38 116.42 117.53 1cmy h ASP 21 Ca 0.06 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1cmy h ASP 21 Cb 0.24 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1cmy h ASP 21 CO -0.00 0.18 -0.65 -0.62 -1.72 0.00 0.00 179.24 176.44 1cmy n GLU 22 N -5.01 1.49 0.12 3.56 -0.58 -1.10 -4.58 120.64 114.54 1cmy n GLU 22 Ca -0.08 -0.30 -0.24 0.00 -0.42 0.00 0.00 57.16 56.12 1cmy n GLU 22 Cb 0.14 -1.30 -0.16 0.00 -0.57 0.00 0.00 31.44 29.55 1cmy n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1cmy h VAL 23 N 0.69 1.24 -0.90 2.62 2.07 -1.15 -2.85 116.25 117.97 1cmy h VAL 23 Ca 0.00 -2.63 0.03 0.00 0.82 0.00 0.00 66.70 64.92 1cmy h VAL 23 Cb 0.47 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1cmy h VAL 23 CO 0.00 0.80 0.59 1.23 0.02 0.00 0.00 177.57 180.22 1cmy h GLY 24 N 0.17 1.30 1.52 2.17 0.00 -1.76 0.14 103.07 106.61 1cmy h GLY 24 Ca -0.26 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 46.42 1cmy h GLY 24 CO 0.24 0.39 -0.77 -1.33 0.00 0.00 0.00 176.54 175.07 1cmy h GLY 25 N 1.14 0.51 1.07 4.60 0.00 -1.67 -0.59 103.07 108.13 1cmy h GLY 25 Ca 0.36 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1cmy h GLY 25 CO -0.10 0.67 0.44 -2.09 0.00 0.00 0.00 176.54 175.45 1cmy h GLU 26 N 0.31 1.20 0.25 4.80 4.22 -1.09 0.21 114.58 124.49 1cmy h GLU 26 Ca -0.04 -0.16 -0.34 0.00 0.08 0.00 0.00 59.36 58.90 1cmy h GLU 26 Cb 1.37 -0.23 0.04 0.00 0.50 0.00 0.00 28.75 30.43 1cmy h GLU 26 CO 0.14 0.90 -1.50 0.00 -2.18 0.00 0.00 179.01 176.36 1cmy h ALA 27 N 1.28 -0.14 -0.31 2.92 0.00 -0.94 -2.80 119.26 119.27 1cmy h ALA 27 Ca 0.30 -0.88 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1cmy h ALA 27 Cb 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cmy h ALA 27 CO -0.04 0.73 -0.41 1.25 0.00 0.00 0.00 179.25 180.77 1cmy h LEU 28 N 0.14 0.81 -0.02 0.00 7.12 -0.98 -2.15 115.31 120.23 1cmy h LEU 28 Ca -0.26 -0.37 0.00 0.00 0.13 0.00 0.00 57.88 57.38 1cmy h LEU 28 Cb 2.17 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 42.07 1cmy h LEU 28 CO 0.27 1.12 0.01 1.23 -0.13 0.00 0.00 178.44 180.93 1cmy h GLY 29 N 0.91 0.03 2.00 3.75 0.00 -0.67 -2.34 103.07 106.75 1cmy h GLY 29 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1cmy h GLY 29 CO 0.09 0.00 -0.15 3.21 0.00 0.00 0.00 176.54 179.70 1cmy h ARG 30 N 0.02 0.00 -0.29 4.80 3.08 -1.42 -1.82 114.38 118.75 1cmy h ARG 30 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1cmy h ARG 30 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1cmy h ARG 30 CO -0.01 0.15 -0.35 1.25 -1.07 0.00 0.00 179.97 179.94 1cmy h LEU 31 N 0.00 0.81 -0.68 3.04 5.85 -0.87 0.21 115.31 123.67 1cmy h LEU 31 Ca -0.00 -0.49 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 1cmy h LEU 31 Cb 0.34 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1cmy h LEU 31 CO 0.02 1.14 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.76 1cmy h LEU 32 N 0.50 0.56 0.01 2.25 3.38 -1.03 0.16 115.31 121.13 1cmy h LEU 32 Ca 0.04 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 1cmy h LEU 32 Cb 0.94 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.55 1cmy h LEU 32 CO 0.08 0.92 -0.75 0.58 0.09 0.00 0.00 178.44 179.36 1cmy h VAL 33 N 0.43 1.38 0.10 1.22 2.07 -1.32 -2.98 116.25 117.16 1cmy h VAL 33 Ca 0.03 -2.15 -0.20 0.00 0.82 0.00 0.00 66.70 65.21 1cmy h VAL 33 Cb 0.92 2.55 0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1cmy h VAL 33 CO 0.08 0.64 -0.84 0.58 0.02 0.00 0.00 177.57 178.05 1cmy h VAL 34 N 0.05 1.45 -3.20 2.57 2.07 -0.58 -3.38 116.25 115.22 1cmy h VAL 34 Ca -0.10 -2.40 -0.64 0.00 0.82 0.00 0.00 66.70 64.39 1cmy h VAL 34 Cb 1.45 2.95 -0.41 0.00 -1.52 0.00 0.00 31.29 33.77 1cmy h VAL 34 CO 0.15 0.69 -0.52 -0.31 0.02 0.00 0.00 177.57 177.60 1cmy s TYR 35 N -2.74 3.52 0.50 1.57 2.02 0.54 -4.95 117.35 117.80 1cmy s TYR 35 Ca -0.13 -3.24 0.34 0.00 -0.37 0.00 0.00 57.07 53.67 1cmy s TYR 35 Cb 0.02 -2.82 1.83 0.00 -0.40 0.00 0.00 41.96 40.59 1cmy s TYR 35 CO 0.85 -0.62 2.20 -1.35 -1.57 0.00 0.00 175.55 175.05 1cmy h PRO 36 N 5.79 0.00 -0.70 -1.71 0.11 -1.68 -2.56 132.00 131.24 1cmy h PRO 36 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1cmy h PRO 36 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1cmy h PRO 36 CO 0.73 0.04 0.41 0.11 -0.21 0.00 0.00 178.00 179.08 1cmy h TRP 37 N 0.00 0.93 0.00 0.65 0.09 -1.91 -2.00 115.95 113.70 1cmy h TRP 37 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1cmy h TRP 37 Cb 0.18 -0.30 0.00 0.00 0.08 0.00 0.00 29.16 29.11 1cmy h TRP 37 CO 0.00 0.63 0.13 1.79 0.09 0.00 0.00 178.44 181.08 1cmy h THR 38 N 0.97 0.00 0.00 0.12 1.35 -1.78 -0.68 112.91 112.88 1cmy h THR 38 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1cmy h THR 38 Cb -0.01 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1cmy h THR 38 CO -0.04 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.23 1cmy n GLN 39 N -2.62 0.22 0.25 4.72 6.02 -0.75 -2.65 117.38 122.57 1cmy n GLN 39 Ca -0.02 0.34 0.17 0.00 -0.01 0.00 0.00 57.00 57.48 1cmy n GLN 39 Cb 0.18 -1.84 0.84 0.00 1.02 0.00 0.00 30.24 30.45 1cmy n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1cmy h ARG 40 N 0.00 0.00 -0.00 -1.09 2.43 -1.30 -1.68 114.38 112.74 1cmy h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cmy h ARG 40 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1cmy h ARG 40 CO 0.00 0.00 -0.57 1.19 -1.51 0.00 0.00 179.97 179.08 1cmy n PHE 41 N -2.76 0.00 -2.45 2.20 3.72 -1.08 -4.35 117.46 112.73 1cmy n PHE 41 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1cmy n PHE 41 Cb 0.14 -0.15 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1cmy n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1cmy n PHE 42 N -1.23 2.12 0.23 1.38 3.72 -0.63 -4.80 117.46 118.25 1cmy n PHE 42 Ca 0.07 -2.39 0.08 0.00 -0.05 0.00 0.00 57.45 55.16 1cmy n PHE 42 Cb 0.35 -0.27 0.54 0.00 -0.94 0.00 0.00 39.48 39.16 1cmy n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cmy h GLU 43 N 2.49 0.00 -0.11 -1.08 5.08 -1.76 -1.04 114.58 118.16 1cmy h GLU 43 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1cmy h GLU 43 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1cmy h GLU 43 CO 0.54 0.23 0.00 -1.13 -1.00 0.00 0.00 179.01 177.65 1cmy n SER 44 N -3.81 1.21 0.10 1.42 3.41 -1.26 -3.90 113.62 110.79 1cmy n SER 44 Ca -0.02 -1.61 0.12 0.00 -0.26 0.00 0.00 58.87 57.11 1cmy n SER 44 Cb 0.33 -0.07 0.22 0.00 -0.26 0.00 0.00 64.21 64.43 1cmy n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1cmy h PHE 45 N 1.64 0.00 0.00 7.33 -1.00 -1.56 -3.50 116.94 119.84 1cmy h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cmy h PHE 45 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1cmy h PHE 45 CO 0.07 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.18 1cmy n GLY 46 N 1.28 0.26 3.61 -1.45 0.00 -1.25 -4.76 105.19 102.88 1cmy n GLY 46 Ca 0.04 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1cmy n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cmy s ASP 47 N -4.00 6.17 -0.04 1.61 2.15 -1.26 -4.83 116.67 116.47 1cmy s ASP 47 Ca 0.00 1.26 0.19 0.00 0.43 0.00 0.00 52.55 54.43 1cmy s ASP 47 Cb 0.00 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.44 1cmy s ASP 47 CO 0.00 -1.49 1.15 0.18 -0.17 0.00 0.00 175.17 174.84 1cmy n LEU 48 N 9.30 1.20 0.01 -1.34 4.77 -1.26 -4.32 117.00 125.36 1cmy n LEU 48 Ca 0.20 -2.22 0.13 0.00 -0.03 0.00 0.00 56.01 54.09 1cmy n LEU 48 Cb 0.47 -0.11 0.46 0.00 -2.33 0.00 0.00 43.42 41.90 1cmy n LEU 48 CO 0.68 0.63 0.76 -0.24 -1.33 0.00 0.00 177.39 177.89 1cmy n SER 49 N 0.04 0.26 -3.99 -1.43 2.88 -1.26 -4.79 113.62 105.33 1cmy n SER 49 Ca 0.08 0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1cmy n SER 49 Cb 0.97 -0.25 -0.12 0.00 -0.75 0.00 0.00 64.21 64.06 1cmy n SER 49 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cmy s THR 50 N -3.02 0.34 0.42 2.46 -4.23 -1.26 -5.02 115.64 105.32 1cmy s THR 50 Ca 0.12 -0.67 0.19 0.00 -1.18 0.00 0.00 61.69 60.15 1cmy s THR 50 Cb 0.18 -0.38 0.40 0.00 1.34 0.00 0.00 72.50 74.03 1cmy s THR 50 CO 0.60 -0.23 1.81 1.55 -0.54 0.00 0.00 174.62 177.81 1cmy h PRO 51 N 5.15 0.36 -0.26 3.99 0.13 -1.98 0.56 132.00 139.95 1cmy h PRO 51 Ca -0.31 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1cmy h PRO 51 Cb 1.20 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1cmy h PRO 51 CO 0.45 0.24 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.82 1cmy h ASP 52 N 0.37 0.63 0.45 1.44 3.32 -1.97 0.36 116.42 121.02 1cmy h ASP 52 Ca 0.54 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1cmy h ASP 52 Cb 1.40 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1cmy h ASP 52 CO -0.22 0.94 -0.04 0.00 -1.72 0.00 0.00 179.24 178.20 1cmy h ALA 53 N 0.71 1.11 0.02 3.45 0.00 -0.71 -1.33 119.26 122.50 1cmy h ALA 53 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1cmy h ALA 53 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1cmy h ALA 53 CO 0.05 0.05 -0.72 0.28 0.00 0.00 0.00 179.25 178.92 1cmy h VAL 54 N 0.00 1.33 0.00 0.00 2.07 0.61 -3.27 116.25 116.99 1cmy h VAL 54 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1cmy h VAL 54 Cb 0.28 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1cmy h VAL 54 CO 0.01 0.50 0.00 0.23 0.02 0.00 0.00 177.57 178.32 1cmy n MET 55 N -4.44 0.09 -0.22 1.57 2.00 0.12 -3.03 117.12 113.22 1cmy n MET 55 Ca -0.21 0.21 0.09 0.00 0.00 0.00 0.00 57.70 57.79 1cmy n MET 55 Cb 0.63 -1.63 0.17 0.00 0.00 0.00 0.00 33.22 32.39 1cmy n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cmy n GLY 56 N 0.67 4.72 3.68 3.03 0.00 -0.52 -4.97 105.19 111.79 1cmy n GLY 56 Ca 0.05 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1cmy n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cmy s ASN 57 N -2.68 6.70 0.46 1.61 3.84 -1.17 -4.96 114.94 118.75 1cmy s ASN 57 Ca 0.35 0.85 0.21 0.00 0.21 0.00 0.00 52.86 54.48 1cmy s ASN 57 Cb 0.30 -2.33 1.14 0.00 -0.55 0.00 0.00 41.25 39.81 1cmy s ASN 57 CO 0.04 -0.16 1.97 -0.65 -2.79 0.00 0.00 177.10 175.50 1cmy h PRO 58 N 7.19 0.00 0.04 0.43 0.11 -1.92 -2.24 132.00 135.62 1cmy h PRO 58 Ca -0.36 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.52 1cmy h PRO 58 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1cmy h PRO 58 CO 0.76 0.21 -1.11 0.87 -0.21 0.00 0.00 178.00 178.52 1cmy h LYS 59 N 0.00 0.09 -0.29 1.05 1.57 -1.93 -0.55 116.57 116.51 1cmy h LYS 59 Ca -0.00 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1cmy h LYS 59 Cb 0.47 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1cmy h LYS 59 CO 0.03 1.06 -0.12 0.28 -0.57 0.00 0.00 179.45 180.13 1cmy h VAL 60 N 0.03 1.29 0.00 0.50 2.07 -1.81 0.75 116.25 119.07 1cmy h VAL 60 Ca -0.06 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1cmy h VAL 60 Cb 1.85 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1cmy h VAL 60 CO 0.15 0.38 -0.08 0.07 0.02 0.00 0.00 177.57 178.11 1cmy h LYS 61 N 0.34 0.00 0.10 1.57 5.09 -1.45 0.34 116.57 122.56 1cmy h LYS 61 Ca 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.53 1cmy h LYS 61 Cb 0.62 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.98 1cmy h LYS 61 CO 0.04 0.08 -1.16 0.00 -2.09 0.00 0.00 179.45 176.32 1cmy h ALA 62 N 1.92 0.01 0.09 0.07 0.00 -0.70 -3.22 119.26 117.43 1cmy h ALA 62 Ca -0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 1cmy h ALA 62 Cb 0.86 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1cmy h ALA 62 CO 0.01 0.65 -0.70 1.25 0.00 0.00 0.00 179.25 180.47 1cmy h HIS 63 N 0.25 0.52 -0.27 0.00 -0.00 0.65 -3.28 115.15 113.02 1cmy h HIS 63 Ca -0.17 -0.35 0.08 0.00 -0.00 0.00 0.00 60.37 59.92 1cmy h HIS 63 Cb 1.84 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.20 1cmy h HIS 63 CO 0.12 1.24 0.41 0.78 -0.00 0.00 0.00 177.93 180.48 1cmy h GLY 64 N -0.34 0.00 1.39 5.26 0.00 -0.42 0.46 103.07 109.42 1cmy h GLY 64 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 1cmy h GLY 64 CO 0.13 0.00 -1.20 1.70 0.00 0.00 0.00 176.54 177.17 1cmy h LYS 65 N 0.00 0.50 -0.28 4.80 3.64 -1.61 -3.06 116.57 120.56 1cmy h LYS 65 Ca 0.13 -0.68 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 1cmy h LYS 65 Cb 0.94 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1cmy h LYS 65 CO -0.00 1.29 -0.23 0.87 -2.27 0.00 0.00 179.45 179.12 1cmy h LYS 66 N 0.22 0.52 -0.60 1.90 1.79 -1.03 -2.84 116.57 116.54 1cmy h LYS 66 Ca -0.16 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1cmy h LYS 66 Cb 1.88 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 32.47 1cmy h LYS 66 CO 0.22 0.72 0.25 0.28 -1.08 0.00 0.00 179.45 179.83 1cmy h VAL 67 N 0.47 1.21 -0.02 0.50 2.07 -1.48 -1.96 116.25 117.04 1cmy h VAL 67 Ca 0.07 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1cmy h VAL 67 Cb 0.65 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1cmy h VAL 67 CO 0.05 0.26 -0.53 -0.07 0.02 0.00 0.00 177.57 177.29 1cmy h LEU 68 N 0.85 0.06 0.67 2.57 3.38 -1.41 -2.96 115.31 118.48 1cmy h LEU 68 Ca 0.20 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1cmy h LEU 68 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cmy h LEU 68 CO -0.02 0.58 -0.35 1.23 0.09 0.00 0.00 178.44 179.97 1cmy h GLY 69 N 1.56 -1.00 0.04 0.83 0.00 -1.14 0.54 103.07 103.89 1cmy h GLY 69 Ca -0.00 0.39 0.24 0.00 0.00 0.00 0.00 47.33 47.96 1cmy h GLY 69 CO 0.07 -0.36 0.65 0.00 0.00 0.00 0.00 176.54 176.90 1cmy h ALA 70 N -0.64 2.28 -0.07 3.60 0.00 -1.41 0.72 119.26 123.74 1cmy h ALA 70 Ca -0.09 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1cmy h ALA 70 Cb 0.74 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1cmy h ALA 70 CO 0.13 -0.63 -0.59 0.74 0.00 0.00 0.00 179.25 178.90 1cmy h PHE 71 N 0.37 0.74 -0.81 0.00 0.04 -1.15 0.12 116.94 116.26 1cmy h PHE 71 Ca 0.54 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1cmy h PHE 71 Cb 1.41 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.42 1cmy h PHE 71 CO -0.00 1.15 0.48 0.77 -0.60 0.00 0.00 178.31 180.11 1cmy h SER 72 N 0.12 0.97 0.21 2.17 0.02 0.28 0.74 113.55 118.07 1cmy h SER 72 Ca -0.05 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1cmy h SER 72 Cb 1.25 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1cmy h SER 72 CO 0.12 0.75 -0.39 0.44 -1.14 0.00 0.00 176.83 176.62 1cmy h ASP 73 N 1.11 -1.10 -0.20 3.07 5.19 0.40 -2.53 116.42 122.36 1cmy h ASP 73 Ca 0.29 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.77 1cmy h ASP 73 Cb -0.04 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1cmy h ASP 73 CO -0.05 -0.49 -0.05 1.23 -3.12 0.00 0.00 179.24 176.76 1cmy h GLY 74 N -0.68 0.41 -0.28 2.75 0.00 -0.66 -3.06 103.07 101.55 1cmy h GLY 74 Ca 0.01 -0.34 0.33 0.00 0.00 0.00 0.00 47.33 47.32 1cmy h GLY 74 CO -0.17 0.31 0.81 -2.00 0.00 0.00 0.00 176.54 175.50 1cmy h LEU 75 N 0.10 0.03 -4.61 3.11 5.85 0.60 0.37 115.31 120.75 1cmy h LEU 75 Ca 0.05 0.01 -0.62 0.00 0.84 0.00 0.00 57.88 58.15 1cmy h LEU 75 Cb 0.50 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.14 1cmy h LEU 75 CO 0.02 0.00 -0.40 0.00 -0.34 0.00 0.00 178.44 177.73 1cmy n ALA 76 N -2.75 5.34 -2.19 1.25 0.00 -0.96 -4.49 120.51 116.71 1cmy n ALA 76 Ca 0.24 -4.29 -0.00 0.00 0.00 0.00 0.00 53.44 49.39 1cmy n ALA 76 Cb 1.19 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1cmy n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cmy n HIS 77 N -0.49 -0.08 0.30 0.00 8.25 0.13 -4.96 115.22 118.37 1cmy n HIS 77 Ca 0.42 -0.07 0.16 0.00 -0.26 0.00 0.00 57.72 57.96 1cmy n HIS 77 Cb 0.58 0.49 0.75 0.00 1.12 0.00 0.00 29.99 32.93 1cmy n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cmy h LEU 78 N 0.04 0.00 -0.16 2.41 3.38 -1.68 -2.58 115.31 116.71 1cmy h LEU 78 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cmy h LEU 78 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1cmy h LEU 78 CO -0.01 0.00 0.09 -0.78 0.09 0.00 0.00 178.44 177.83 1cmy h ASP 79 N 0.00 0.20 -2.06 -0.43 1.82 -1.92 -3.33 116.42 110.69 1cmy h ASP 79 Ca 0.00 -0.07 -0.57 0.00 -0.39 0.00 0.00 57.03 56.00 1cmy h ASP 79 Cb 0.25 -0.05 -0.40 0.00 0.68 0.00 0.00 39.33 39.81 1cmy h ASP 79 CO 0.00 0.21 -0.94 -3.20 -1.61 0.00 0.00 179.24 173.70 1cmy n ASN 80 N -4.93 1.38 0.26 2.28 5.15 -1.00 -4.92 115.26 113.47 1cmy n ASN 80 Ca -0.04 -2.95 0.16 0.00 -0.60 0.00 0.00 54.58 51.16 1cmy n ASN 80 Cb 0.06 -0.65 0.62 0.00 -0.53 0.00 0.00 39.78 39.28 1cmy n ASN 80 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1cmy h LEU 81 N 4.04 0.00 0.07 1.20 5.85 -1.61 -1.79 115.31 123.08 1cmy h LEU 81 Ca 0.11 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.56 1cmy h LEU 81 Cb 0.81 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1cmy h LEU 81 CO 0.59 0.00 -1.36 0.11 -0.34 0.00 0.00 178.44 177.44 1cmy h LYS 82 N 0.00 0.15 0.91 1.25 6.56 -1.90 -2.96 116.57 120.58 1cmy h LYS 82 Ca 0.00 -0.25 -0.04 0.00 -1.06 0.00 0.00 60.65 59.29 1cmy h LYS 82 Cb 0.54 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1cmy h LYS 82 CO 0.00 1.01 -0.44 0.78 -2.06 0.00 0.00 179.45 178.75 1cmy h GLY 83 N 2.29 -1.28 -0.12 3.86 0.00 -1.81 -2.50 103.07 103.51 1cmy h GLY 83 Ca -0.17 0.47 0.25 0.00 0.00 0.00 0.00 47.33 47.88 1cmy h GLY 83 CO 0.15 -0.46 0.61 -0.84 0.00 0.00 0.00 176.54 176.00 1cmy h THR 84 N -1.31 0.55 -0.51 4.70 2.02 -1.46 -2.75 112.91 114.15 1cmy h THR 84 Ca -0.13 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1cmy h THR 84 Cb 0.94 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1cmy h THR 84 CO 0.21 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.69 1cmy n PHE 85 N -4.81 0.67 -0.21 3.16 3.72 -1.12 -4.65 117.46 114.21 1cmy n PHE 85 Ca 0.26 -0.33 0.02 0.00 -0.05 0.00 0.00 57.45 57.35 1cmy n PHE 85 Cb 0.76 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.43 1cmy n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cmy h ALA 86 N 4.42 0.81 -0.50 4.37 0.00 -1.13 0.40 119.26 127.63 1cmy h ALA 86 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1cmy h ALA 86 Cb 0.95 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1cmy h ALA 86 CO 0.00 -0.26 -0.07 1.15 0.00 0.00 0.00 179.25 180.07 1cmy h THR 87 N 0.33 1.27 -0.37 0.00 2.02 -1.84 -2.07 112.91 112.25 1cmy h THR 87 Ca 0.34 -1.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 1cmy h THR 87 Cb 0.50 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1cmy h THR 87 CO -0.39 0.42 -0.29 -0.07 0.37 0.00 0.00 175.52 175.55 1cmy h LEU 88 N 0.79 0.90 -0.31 2.58 3.38 -1.77 -2.71 115.31 118.18 1cmy h LEU 88 Ca 0.13 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1cmy h LEU 88 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1cmy h LEU 88 CO 0.04 1.16 0.17 -1.28 0.09 0.00 0.00 178.44 178.62 1cmy h SER 89 N 0.66 0.27 -0.90 -0.43 0.87 -0.87 -2.11 113.55 111.04 1cmy h SER 89 Ca 0.07 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 1cmy h SER 89 Cb 0.87 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.71 1cmy h SER 89 CO 0.08 0.20 0.54 -0.08 -0.53 0.00 0.00 176.83 177.04 1cmy h GLU 90 N 0.36 0.88 -0.37 2.24 4.81 -1.29 1.12 114.58 122.33 1cmy h GLU 90 Ca 0.12 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1cmy h GLU 90 Cb 0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1cmy h GLU 90 CO -0.07 0.58 -0.12 1.25 -0.73 0.00 0.00 179.01 179.92 1cmy h LEU 91 N 0.91 0.75 0.08 1.64 5.85 -1.14 -2.61 115.31 120.79 1cmy h LEU 91 Ca 0.43 -0.38 -0.27 0.00 0.84 0.00 0.00 57.88 58.50 1cmy h LEU 91 Cb 0.37 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1cmy h LEU 91 CO -0.24 0.96 -1.33 0.45 -0.34 0.00 0.00 178.44 177.94 1cmy h HIS 92 N 0.54 0.33 0.00 1.25 3.86 -0.96 0.50 115.15 120.66 1cmy h HIS 92 Ca 0.09 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1cmy h HIS 92 Cb 0.65 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1cmy h HIS 92 CO 0.05 1.23 0.00 0.00 0.86 0.00 0.00 177.93 180.07 1cmy n ASP 94 N -0.67 7.08 0.00 0.00 5.68 -0.99 -2.12 116.55 125.53 1cmy n ASP 94 Ca 0.00 -3.81 0.00 0.00 -0.50 0.00 0.00 54.79 50.48 1cmy n ASP 94 Cb 0.00 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1cmy n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1cmy n LYS 95 N -0.49 0.00 -0.01 0.11 4.76 -1.18 -4.90 118.16 116.45 1cmy n LYS 95 Ca 0.51 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1cmy n LYS 95 Cb 0.30 -0.13 -0.03 0.00 -1.84 0.00 0.00 35.03 33.33 1cmy n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cmy n LEU 96 N -1.00 0.00 -3.77 -0.35 4.77 0.17 -4.94 117.00 111.89 1cmy n LEU 96 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1cmy n LEU 96 Cb 0.00 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1cmy n LEU 96 CO 0.00 0.05 -0.10 1.41 -1.33 0.00 0.00 177.39 177.42 1cmy n HIS 97 N -1.93 -1.86 -3.08 -1.77 8.25 0.44 -4.93 115.22 110.34 1cmy n HIS 97 Ca -0.04 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 57.84 1cmy n HIS 97 Cb 0.41 -4.22 -0.06 0.00 1.12 0.00 0.00 29.99 27.23 1cmy n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cmy s VAL 98 N -3.72 4.97 0.05 1.59 1.01 0.20 -4.99 120.40 119.51 1cmy s VAL 98 Ca 0.03 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 1cmy s VAL 98 Cb -0.02 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1cmy s VAL 98 CO 0.83 0.03 1.90 -1.22 0.00 0.00 0.00 175.10 176.64 1cmy n TYR 99 N 5.65 2.50 -0.55 5.22 4.02 -1.26 -4.78 117.16 127.97 1cmy n TYR 99 Ca 0.00 -0.21 0.45 0.00 -0.01 0.00 0.00 57.90 58.14 1cmy n TYR 99 Cb 0.49 -2.74 0.69 0.00 -0.02 0.00 0.00 39.34 37.76 1cmy n TYR 99 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1cmy n PRO 100 N 6.59 0.00 0.22 -0.72 -0.04 -1.26 0.91 135.00 140.70 1cmy n PRO 100 Ca 0.20 1.06 0.07 0.00 -0.04 0.00 0.00 63.50 64.78 1cmy n PRO 100 Cb 0.37 -2.50 0.50 0.00 -0.04 0.00 0.00 33.50 31.83 1cmy n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1cmy h GLU 101 N 0.00 0.00 0.00 0.54 4.57 -1.97 -0.50 114.58 117.22 1cmy h GLU 101 Ca 0.79 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.97 1cmy h GLU 101 Cb 3.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 32.08 1cmy h GLU 101 CO -0.01 0.26 0.00 -0.91 -1.18 0.00 0.00 179.01 177.17 1cmy h ASN 102 N 0.00 0.00 -0.21 1.04 4.21 0.18 -1.12 115.58 119.69 1cmy h ASN 102 Ca -0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 1cmy h ASN 102 Cb 0.54 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.72 1cmy h ASN 102 CO 0.03 0.00 -0.14 -0.26 -1.29 0.00 0.00 177.43 175.77 1cmy h PHE 103 N 0.00 0.68 -0.06 1.19 0.04 -1.19 -1.69 116.94 115.90 1cmy h PHE 103 Ca 0.00 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.57 1cmy h PHE 103 Cb 0.53 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1cmy h PHE 103 CO 0.00 0.73 -0.25 0.00 -0.60 0.00 0.00 178.31 178.19 1cmy h ARG 104 N 0.56 0.29 -0.07 1.51 3.08 -1.19 -2.94 114.38 115.61 1cmy h ARG 104 Ca 0.10 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1cmy h ARG 104 Cb 0.57 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1cmy h ARG 104 CO 0.04 0.86 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.69 1cmy h LEU 105 N -0.22 -0.11 -0.49 3.04 3.38 -1.26 0.34 115.31 119.98 1cmy h LEU 105 Ca -0.01 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1cmy h LEU 105 Cb 0.90 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1cmy h LEU 105 CO 0.05 -0.05 -0.10 0.25 0.09 0.00 0.00 178.44 178.69 1cmy h LEU 106 N -0.03 -0.40 -0.31 1.67 5.85 -1.39 0.28 115.31 120.97 1cmy h LEU 106 Ca 0.04 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1cmy h LEU 106 Cb 0.09 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1cmy h LEU 106 CO -0.09 -0.14 -0.22 1.23 -0.34 0.00 0.00 178.44 178.88 1cmy h GLY 107 N 0.02 -0.06 0.82 3.75 0.00 -1.16 0.24 103.07 106.68 1cmy h GLY 107 Ca 0.24 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1cmy h GLY 107 CO -0.49 -0.20 0.17 3.43 0.00 0.00 0.00 176.54 179.45 1cmy h ASN 108 N -0.19 0.24 0.57 0.19 -0.26 0.76 -0.43 115.58 116.44 1cmy h ASN 108 Ca 0.16 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.86 1cmy h ASN 108 Cb 0.44 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1cmy h ASN 108 CO -0.42 0.18 -0.28 -0.37 -1.06 0.00 0.00 177.43 175.48 1cmy h VAL 109 N 0.34 0.85 -0.58 2.81 -1.51 0.11 -0.55 116.25 117.73 1cmy h VAL 109 Ca 0.14 -1.09 -0.10 0.00 -1.23 0.00 0.00 66.70 64.42 1cmy h VAL 109 Cb 0.06 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 1cmy h VAL 109 CO -0.11 0.27 -0.03 0.25 -1.23 0.00 0.00 177.57 176.72 1cmy h LEU 110 N 0.00 1.01 -0.44 4.19 6.46 0.54 0.14 115.31 127.21 1cmy h LEU 110 Ca -0.00 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1cmy h LEU 110 Cb 0.63 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1cmy h LEU 110 CO 0.04 1.08 0.21 0.58 -0.62 0.00 0.00 178.44 179.72 1cmy h VAL 111 N 0.93 1.19 -0.53 1.05 2.07 0.34 -1.15 116.25 120.15 1cmy h VAL 111 Ca 0.16 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1cmy h VAL 111 Cb 0.58 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1cmy h VAL 111 CO 0.03 0.20 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 1cmy h VAL 113 N 0.91 1.19 -0.03 0.00 2.07 -0.43 0.94 116.25 120.90 1cmy h VAL 113 Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1cmy h VAL 113 Cb 0.71 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1cmy h VAL 113 CO 0.05 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.78 1cmy h LEU 114 N 0.76 0.09 -1.03 2.57 3.38 -1.00 -1.58 115.31 118.49 1cmy h LEU 114 Ca 0.18 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.78 1cmy h LEU 114 Cb 0.15 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1cmy h LEU 114 CO -0.02 0.57 0.63 0.00 0.09 0.00 0.00 178.44 179.71 1cmy h ALA 115 N 0.52 1.56 -0.65 1.53 0.00 -0.50 0.79 119.26 122.50 1cmy h ALA 115 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1cmy h ALA 115 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cmy h ALA 115 CO 0.01 0.17 0.06 1.25 0.00 0.00 0.00 179.25 180.74 1cmy h HIS 116 N 0.94 1.19 0.00 0.00 6.17 0.11 -2.39 115.15 121.18 1cmy h HIS 116 Ca 0.51 -0.18 -0.18 0.00 0.71 0.00 0.00 60.37 61.22 1cmy h HIS 116 Cb 0.57 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 1cmy h HIS 116 CO -0.00 1.01 -1.11 0.45 0.71 0.00 0.00 177.93 178.99 1cmy h HIS 117 N 1.03 0.00 0.00 5.26 3.86 -0.17 -3.38 115.15 121.75 1cmy h HIS 117 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1cmy h HIS 117 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1cmy h HIS 117 CO 0.04 0.73 -1.38 1.19 0.86 0.00 0.00 177.93 179.37 1cmy n PHE 118 N -3.12 0.00 -0.13 2.45 3.72 0.14 -5.06 117.46 115.45 1cmy n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1cmy n PHE 118 Cb 0.87 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1cmy n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cmy n GLY 119 N 1.42 3.58 0.34 1.37 0.00 -0.90 -2.07 105.19 108.92 1cmy n GLY 119 Ca 0.00 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.10 1cmy n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cmy h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 0.02 116.57 117.80 1cmy h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cmy h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1cmy h LYS 120 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1cmy n GLU 121 N -3.17 0.02 -3.18 3.15 1.02 -0.88 -3.59 120.64 114.01 1cmy n GLU 121 Ca -0.02 0.14 -0.39 0.00 -0.02 0.00 0.00 57.16 56.87 1cmy n GLU 121 Cb 0.20 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1cmy n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cmy n PHE 122 N -1.48 2.95 -1.37 -0.32 7.35 -0.01 -4.98 117.46 119.60 1cmy n PHE 122 Ca 0.05 -3.17 -0.30 0.00 -0.76 0.00 0.00 57.45 53.27 1cmy n PHE 122 Cb 0.24 -1.11 0.10 0.00 0.35 0.00 0.00 39.48 39.06 1cmy n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cmy s THR 123 N -2.52 3.10 0.24 -2.13 -4.23 -1.24 -4.78 115.64 104.09 1cmy s THR 123 Ca 0.33 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.15 1cmy s THR 123 Cb 0.05 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.15 1cmy s THR 123 CO 0.05 -0.47 1.74 -0.65 -0.54 0.00 0.00 174.62 174.75 1cmy h PRO 124 N -1.22 0.46 -0.62 3.99 0.11 -1.96 0.55 132.00 133.31 1cmy h PRO 124 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1cmy h PRO 124 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1cmy h PRO 124 CO 0.56 0.30 0.27 -1.35 -0.21 0.00 0.00 178.00 177.56 1cmy h PRO 125 N 0.47 0.90 0.01 1.05 0.11 -1.99 0.11 132.00 132.66 1cmy h PRO 125 Ca 0.41 -0.13 -0.20 0.00 0.11 0.00 0.00 66.00 66.18 1cmy h PRO 125 Cb 0.60 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1cmy h PRO 125 CO -0.39 0.72 -0.96 0.28 -0.21 0.00 0.00 178.00 177.44 1cmy h VAL 126 N 0.89 1.65 -0.30 3.15 2.07 -1.70 -2.74 116.25 119.26 1cmy h VAL 126 Ca 0.21 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.56 1cmy h VAL 126 Cb 0.14 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1cmy h VAL 126 CO -0.02 0.91 0.15 -0.61 0.02 0.00 0.00 177.57 178.01 1cmy h GLN 127 N 0.02 0.43 -0.64 1.57 4.15 -0.20 -1.04 115.11 119.38 1cmy h GLN 127 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1cmy h GLN 127 Cb 1.68 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.26 1cmy h GLN 127 CO 0.13 0.39 0.40 0.00 -1.93 0.00 0.00 178.83 177.82 1cmy h ALA 128 N 1.01 1.50 -0.55 3.38 0.00 -0.76 0.28 119.26 124.12 1cmy h ALA 128 Ca 0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1cmy h ALA 128 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1cmy h ALA 128 CO -0.01 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1cmy h ALA 129 N 1.57 0.75 -0.05 0.00 0.00 -1.14 -2.87 119.26 117.53 1cmy h ALA 129 Ca 0.23 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1cmy h ALA 129 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1cmy h ALA 129 CO -0.05 0.63 -0.61 1.88 0.00 0.00 0.00 179.25 181.11 1cmy h TYR 130 N 0.90 0.21 -0.20 0.00 0.05 -0.07 -2.97 116.97 114.89 1cmy h TYR 130 Ca 0.15 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1cmy h TYR 130 Cb 0.63 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1cmy h TYR 130 CO 0.04 0.73 -0.11 1.96 -1.05 0.00 0.00 178.16 179.74 1cmy h GLN 131 N 0.12 0.32 -0.10 4.88 1.08 -0.28 -0.76 115.11 120.37 1cmy h GLN 131 Ca -0.01 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1cmy h GLN 131 Cb 1.11 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1cmy h GLN 131 CO 0.09 0.44 0.01 0.87 -0.95 0.00 0.00 178.83 179.30 1cmy h LYS 132 N 0.31 0.17 0.01 1.46 1.57 -1.36 -2.59 116.57 116.14 1cmy h LYS 132 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1cmy h LYS 132 Cb 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1cmy h LYS 132 CO 0.02 0.39 -0.01 0.28 -0.57 0.00 0.00 179.45 179.57 1cmy h VAL 133 N -0.07 1.21 -1.00 0.50 2.07 -1.40 -2.20 116.25 115.35 1cmy h VAL 133 Ca 0.03 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1cmy h VAL 133 Cb 0.31 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1cmy h VAL 133 CO 0.00 0.17 0.66 1.62 0.02 0.00 0.00 177.57 180.04 1cmy h VAL 134 N -0.30 1.18 0.00 2.57 3.04 -1.21 -1.15 116.25 120.38 1cmy h VAL 134 Ca -0.00 -0.44 -0.12 0.00 -1.01 0.00 0.00 66.70 65.13 1cmy h VAL 134 Cb 0.29 -0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 29.35 1cmy h VAL 134 CO 0.00 0.23 -0.59 0.00 -1.01 0.00 0.00 177.57 176.21 1cmy h ALA 135 N 1.41 0.75 -0.29 3.17 0.00 -1.47 -2.50 119.26 120.33 1cmy h ALA 135 Ca 0.39 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1cmy h ALA 135 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cmy h ALA 135 CO -0.12 0.73 -0.09 0.78 0.00 0.00 0.00 179.25 180.55 1cmy h GLY 136 N 2.66 0.62 0.93 0.00 0.00 -0.62 -1.12 103.07 105.55 1cmy h GLY 136 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1cmy h GLY 136 CO 0.08 0.48 0.13 -2.08 0.00 0.00 0.00 176.54 175.14 1cmy h VAL 137 N 0.33 1.14 -0.24 4.60 2.07 -1.23 0.26 116.25 123.18 1cmy h VAL 137 Ca 0.07 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1cmy h VAL 137 Cb 0.58 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1cmy h VAL 137 CO 0.03 0.14 0.01 0.00 0.02 0.00 0.00 177.57 177.77 1cmy h ALA 138 N 0.99 1.57 0.00 1.67 0.00 -1.39 0.17 119.26 122.28 1cmy h ALA 138 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1cmy h ALA 138 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1cmy h ALA 138 CO -0.01 0.32 -1.04 -0.91 0.00 0.00 0.00 179.25 177.60 1cmy h ASN 139 N 0.34 0.00 0.13 0.00 2.35 -0.80 -2.28 115.58 115.32 1cmy h ASN 139 Ca 0.08 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 1cmy h ASN 139 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1cmy h ASN 139 CO 0.00 0.82 -0.61 0.00 -1.65 0.00 0.00 177.43 175.99 1cmy h ALA 140 N 1.18 0.69 -0.05 -0.83 0.00 0.13 -3.03 119.26 117.35 1cmy h ALA 140 Ca -0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1cmy h ALA 140 Cb 1.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1cmy h ALA 140 CO 0.09 0.71 0.00 -0.07 0.00 0.00 0.00 179.25 179.99 1cmy h LEU 141 N 0.35 0.09 -1.47 0.00 3.38 -1.00 -3.06 115.31 113.61 1cmy h LEU 141 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1cmy h LEU 141 Cb 1.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1cmy h LEU 141 CO 0.11 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1cmy n ALA 142 N -2.27 2.75 0.03 1.53 0.00 -0.86 -4.07 120.51 117.62 1cmy n ALA 142 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 1cmy n ALA 142 Cb 0.18 -1.02 0.21 0.00 0.00 0.00 0.00 19.45 18.83 1cmy n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cmy h HIS 143 N 1.45 0.50 -0.08 0.00 6.17 -1.42 -2.68 115.15 119.09 1cmy h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1cmy h HIS 143 Cb 0.72 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1cmy h HIS 143 CO 0.29 0.67 0.00 1.17 0.71 0.00 0.00 177.93 180.77 1cmy n LYS 144 N -4.12 1.31 -0.02 5.26 0.00 -1.26 -2.53 118.16 116.80 1cmy n LYS 144 Ca -0.00 -0.34 0.13 0.00 0.00 0.00 0.00 58.31 58.09 1cmy n LYS 144 Cb 0.40 -1.27 0.35 0.00 0.00 0.00 0.00 35.03 34.51 1cmy n LYS 144 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1cmy n TYR 145 N -0.12 0.05 0.78 5.64 4.11 -1.01 -4.80 117.16 121.80 1cmy n TYR 145 Ca 0.03 -0.02 0.09 0.00 -0.00 0.00 0.00 57.90 58.00 1cmy n TYR 145 Cb 0.19 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.60 1cmy n TYR 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58