#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nmm n HIS 2 N 0.00 -1.16 -2.37 6.34 -0.00 -1.26 -4.91 115.22 111.85 3nmm n HIS 2 Ca 0.00 0.48 -0.40 0.00 -0.00 0.00 0.00 57.72 57.80 3nmm n HIS 2 Cb 0.00 -3.56 -0.03 0.00 -0.00 0.00 0.00 29.99 26.39 3nmm n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3nmm s LEU 3 N -4.26 4.47 0.78 0.27 2.01 -1.26 -5.04 118.68 115.64 3nmm s LEU 3 Ca 0.04 2.38 -0.12 0.00 0.01 0.00 0.00 54.13 56.44 3nmm s LEU 3 Cb -0.01 -3.69 0.06 0.00 0.01 0.00 0.00 46.19 42.56 3nmm s LEU 3 CO 0.38 -0.31 1.10 0.42 1.01 0.00 0.00 176.35 178.95 3nmm s THR 4 N -1.20 3.11 0.26 5.49 -4.23 -1.26 -4.82 115.64 112.99 3nmm s THR 4 Ca 0.47 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.32 3nmm s THR 4 Cb -0.33 -3.19 0.24 0.00 1.34 0.00 0.00 72.50 70.56 3nmm s THR 4 CO 0.43 -0.47 1.85 -0.65 -0.54 0.00 0.00 174.62 175.24 3nmm h PRO 5 N -0.98 0.97 0.00 3.99 0.11 -2.00 -0.56 132.00 133.53 3nmm h PRO 5 Ca -0.46 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 3nmm h PRO 5 Cb 1.27 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3nmm h PRO 5 CO 0.61 0.64 -0.50 1.05 -0.21 0.00 0.00 178.00 179.58 3nmm h GLU 6 N 0.99 0.00 -0.23 1.05 9.09 -1.99 -1.15 114.58 122.34 3nmm h GLU 6 Ca 0.42 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.71 3nmm h GLU 6 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.37 3nmm h GLU 6 CO -0.21 0.50 -0.33 0.93 0.05 0.00 0.00 179.01 179.96 3nmm h GLU 7 N 0.00 0.64 -0.51 1.06 5.08 -1.73 -0.34 114.58 118.78 3nmm h GLU 7 Ca -0.01 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 3nmm h GLU 7 Cb 0.94 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3nmm h GLU 7 CO 0.07 0.98 0.23 0.87 -1.00 0.00 0.00 179.01 180.15 3nmm h LYS 8 N 0.34 0.43 -0.62 2.33 1.57 -0.79 -0.54 116.57 119.29 3nmm h LYS 8 Ca 0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3nmm h LYS 8 Cb 0.91 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3nmm h LYS 8 CO 0.08 0.28 0.24 0.66 -0.57 0.00 0.00 179.45 180.13 3nmm h SER 9 N 0.44 0.84 -0.52 0.86 4.64 -1.10 -1.70 113.55 117.02 3nmm h SER 9 Ca 0.23 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3nmm h SER 9 Cb 0.19 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3nmm h SER 9 CO -0.20 0.77 0.06 0.00 -0.87 0.00 0.00 176.83 176.58 3nmm h ALA 10 N 1.36 0.69 0.21 5.18 0.00 -0.53 -0.98 119.26 125.19 3nmm h ALA 10 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3nmm h ALA 10 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nmm h ALA 10 CO -0.02 0.46 -0.11 0.28 0.00 0.00 0.00 179.25 179.86 3nmm h VAL 11 N 0.75 0.78 -0.38 0.00 2.07 -0.79 -2.38 116.25 116.30 3nmm h VAL 11 Ca 0.15 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 3nmm h VAL 11 Cb 0.44 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3nmm h VAL 11 CO 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 3nmm h THR 12 N -0.29 1.25 -0.29 2.57 1.03 -1.26 -1.08 112.91 114.83 3nmm h THR 12 Ca -0.03 -1.11 -0.02 0.00 -0.01 0.00 0.00 66.41 65.25 3nmm h THR 12 Cb 0.23 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 3nmm h THR 12 CO 0.04 0.37 0.12 0.00 -0.01 0.00 0.00 175.52 176.04 3nmm h ALA 13 N 1.27 0.37 -0.65 0.00 0.00 -1.08 -1.94 119.26 117.24 3nmm h ALA 13 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3nmm h ALA 13 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3nmm h ALA 13 CO 0.03 -0.04 0.15 1.25 0.00 0.00 0.00 179.25 180.64 3nmm h LEU 14 N 0.32 1.00 -1.02 0.00 5.85 -1.22 -3.04 115.31 117.19 3nmm h LEU 14 Ca 0.10 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3nmm h LEU 14 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3nmm h LEU 14 CO -0.01 0.98 -0.44 -0.25 -0.34 0.00 0.00 178.44 178.38 3nmm h TRP 15 N 0.97 0.12 0.00 1.25 2.91 -0.95 -1.25 115.95 119.01 3nmm h TRP 15 Ca 0.20 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3nmm h TRP 15 Cb 0.38 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 3nmm h TRP 15 CO 0.03 0.53 0.00 0.41 -1.03 0.00 0.00 178.44 178.37 3nmm n GLY 16 N -0.20 -0.71 0.89 2.65 0.00 -0.75 -1.28 105.19 105.78 3nmm n GLY 16 Ca -0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3nmm n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nmm n LYS 17 N -1.84 2.15 -3.09 1.61 5.02 -0.47 -4.98 118.16 116.56 3nmm n LYS 17 Ca -0.00 -1.78 -0.39 0.00 -2.02 0.00 0.00 58.31 54.11 3nmm n LYS 17 Cb 0.03 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 3nmm n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nmm s VAL 18 N -2.07 5.07 -0.58 -0.18 1.01 -0.40 -5.02 120.40 118.22 3nmm s VAL 18 Ca 0.27 1.35 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 3nmm s VAL 18 Cb 0.20 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3nmm s VAL 18 CO 0.34 0.26 1.04 0.21 0.00 0.00 0.00 175.10 176.95 3nmm s ASN 19 N 0.78 6.34 0.14 3.32 3.84 -1.26 -4.94 114.94 123.16 3nmm s ASN 19 Ca 0.35 -0.28 -0.15 0.00 0.21 0.00 0.00 52.86 53.00 3nmm s ASN 19 Cb -0.17 -2.48 0.01 0.00 -0.55 0.00 0.00 41.25 38.06 3nmm s ASN 19 CO 0.16 -1.37 1.65 0.58 -2.79 0.00 0.00 177.10 175.33 3nmm h VAL 20 N 6.06 1.23 -0.37 -5.21 2.07 -1.95 -0.06 116.25 118.02 3nmm h VAL 20 Ca -0.26 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3nmm h VAL 20 Cb 1.07 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3nmm h VAL 20 CO 1.14 0.28 0.23 0.44 0.02 0.00 0.00 177.57 179.68 3nmm h ASP 21 N 0.58 0.44 0.09 0.57 3.32 -1.92 0.78 116.42 120.28 3nmm h ASP 21 Ca 0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3nmm h ASP 21 Cb 0.30 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3nmm h ASP 21 CO -0.00 0.35 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.75 3nmm h GLU 22 N 0.49 -0.11 -0.37 3.56 4.81 -1.92 -1.02 114.58 120.02 3nmm h GLU 22 Ca 0.13 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3nmm h GLU 22 Cb -0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3nmm h GLU 22 CO -0.03 0.12 -0.04 0.28 -0.73 0.00 0.00 179.01 178.62 3nmm h VAL 23 N -0.34 1.22 -0.38 0.32 2.07 -0.98 -1.73 116.25 116.43 3nmm h VAL 23 Ca -0.01 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3nmm h VAL 23 Cb 0.29 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3nmm h VAL 23 CO 0.02 0.32 0.09 1.23 0.02 0.00 0.00 177.57 179.25 3nmm h GLY 24 N 0.91 0.65 0.99 2.17 0.00 -0.72 0.13 103.07 107.19 3nmm h GLY 24 Ca 0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3nmm h GLY 24 CO 0.02 0.38 0.13 -1.33 0.00 0.00 0.00 176.54 175.73 3nmm h GLY 25 N 0.46 0.91 0.95 4.60 0.00 -1.05 -1.16 103.07 107.78 3nmm h GLY 25 Ca 0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3nmm h GLY 25 CO 0.00 0.54 -0.12 -2.09 0.00 0.00 0.00 176.54 174.86 3nmm h GLU 26 N 0.74 0.71 -0.34 4.80 4.57 -1.18 -1.32 114.58 122.56 3nmm h GLU 26 Ca 0.17 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3nmm h GLU 26 Cb 0.34 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3nmm h GLU 26 CO 0.00 0.88 0.06 0.00 -1.18 0.00 0.00 179.01 178.78 3nmm h ALA 27 N 0.80 0.46 -0.46 2.92 0.00 -0.59 -0.20 119.26 122.18 3nmm h ALA 27 Ca 0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3nmm h ALA 27 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3nmm h ALA 27 CO 0.04 0.15 -0.25 1.25 0.00 0.00 0.00 179.25 180.44 3nmm h LEU 28 N 0.40 1.02 -0.26 0.00 5.85 -1.23 -0.33 115.31 120.76 3nmm h LEU 28 Ca 0.11 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3nmm h LEU 28 Cb 0.34 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3nmm h LEU 28 CO 0.01 1.20 0.14 1.23 -0.34 0.00 0.00 178.44 180.68 3nmm h GLY 29 N 0.86 0.39 1.43 3.75 0.00 -1.17 -2.03 103.07 106.29 3nmm h GLY 29 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3nmm h GLY 29 CO 0.07 0.17 0.19 3.21 0.00 0.00 0.00 176.54 180.18 3nmm h ARG 30 N 0.31 0.74 -0.57 4.80 3.08 -0.92 -1.45 114.38 120.36 3nmm h ARG 30 Ca 0.09 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3nmm h ARG 30 Cb 0.07 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3nmm h ARG 30 CO -0.01 0.62 0.30 1.25 -1.07 0.00 0.00 179.97 181.05 3nmm h LEU 31 N 0.73 0.42 -1.00 3.04 5.85 -0.61 0.16 115.31 123.90 3nmm h LEU 31 Ca 0.17 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3nmm h LEU 31 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3nmm h LEU 31 CO -0.01 0.28 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.04 3nmm h LEU 32 N 0.56 0.00 0.07 2.25 4.07 -0.71 -1.03 115.31 120.52 3nmm h LEU 32 Ca 0.26 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.04 3nmm h LEU 32 Cb 0.17 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3nmm h LEU 32 CO -0.18 0.25 -0.91 0.58 -1.08 0.00 0.00 178.44 177.10 3nmm h VAL 33 N 0.00 1.30 0.09 1.22 2.07 -0.73 -3.29 116.25 116.91 3nmm h VAL 33 Ca -0.00 -2.37 -0.26 0.00 0.82 0.00 0.00 66.70 64.88 3nmm h VAL 33 Cb 0.81 2.89 0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3nmm h VAL 33 CO 0.03 0.61 -1.15 0.58 0.02 0.00 0.00 177.57 177.66 3nmm h VAL 34 N -0.62 1.45 -2.66 2.57 2.07 -0.71 -3.36 116.25 114.99 3nmm h VAL 34 Ca -0.20 -2.82 -0.61 0.00 0.82 0.00 0.00 66.70 63.89 3nmm h VAL 34 Cb 1.46 2.76 -0.41 0.00 -1.52 0.00 0.00 31.29 33.58 3nmm h VAL 34 CO 0.01 0.83 -0.68 -1.22 0.02 0.00 0.00 177.57 176.54 3nmm n TYR 35 N -3.62 2.49 0.50 1.57 4.01 -0.39 -4.99 117.16 116.72 3nmm n TYR 35 Ca -0.08 -4.07 0.07 0.00 -0.16 0.00 0.00 57.90 53.66 3nmm n TYR 35 Cb 0.96 -0.46 0.32 0.00 -0.31 0.00 0.00 39.34 39.85 3nmm n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3nmm n PRO 36 N 1.74 0.01 0.29 -0.72 -0.04 -1.24 -1.37 135.00 133.67 3nmm n PRO 36 Ca 0.24 0.26 0.19 0.00 -0.04 0.00 0.00 63.50 64.15 3nmm n PRO 36 Cb 0.40 -1.52 0.84 0.00 -0.04 0.00 0.00 33.50 33.18 3nmm n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3nmm h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.90 -1.39 115.95 113.29 3nmm h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3nmm h TRP 37 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 3nmm h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 3nmm n THR 38 N -3.07 1.26 0.34 0.12 -2.24 -0.47 -2.07 114.28 108.14 3nmm n THR 38 Ca -0.00 0.38 0.09 0.00 -2.27 0.00 0.00 64.05 62.24 3nmm n THR 38 Cb 0.23 -1.27 0.38 0.00 -2.10 0.00 0.00 70.33 67.57 3nmm n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nmm n GLN 39 N -1.74 0.10 0.22 -0.78 6.02 -0.52 -3.59 117.38 117.09 3nmm n GLN 39 Ca 0.02 0.41 0.18 0.00 -0.01 0.00 0.00 57.00 57.60 3nmm n GLN 39 Cb 0.11 -1.72 0.86 0.00 1.02 0.00 0.00 30.24 30.52 3nmm n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3nmm h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.64 0.44 114.38 112.20 3nmm h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3nmm h ARG 40 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3nmm h ARG 40 CO 0.00 0.00 -0.26 1.19 0.10 0.00 0.00 179.97 181.00 3nmm n PHE 41 N -3.63 0.00 -1.81 4.08 3.01 -1.24 -4.43 117.46 113.43 3nmm n PHE 41 Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.53 3nmm n PHE 41 Cb 0.32 -0.26 0.16 0.00 -0.01 0.00 0.00 39.48 39.69 3nmm n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3nmm n PHE 42 N -1.22 0.00 0.30 1.38 3.01 0.14 -4.72 117.46 116.36 3nmm n PHE 42 Ca 0.09 -1.22 0.17 0.00 1.01 0.00 0.00 57.45 57.50 3nmm n PHE 42 Cb 0.32 -0.22 0.96 0.00 -0.01 0.00 0.00 39.48 40.54 3nmm n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3nmm h GLU 43 N 0.96 0.00 -0.02 -1.08 4.39 -1.77 -1.50 114.58 115.56 3nmm h GLU 43 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3nmm h GLU 43 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3nmm h GLU 43 CO 0.03 0.03 0.00 -1.13 -1.16 0.00 0.00 179.01 176.77 3nmm n SER 44 N -3.49 1.25 -0.45 1.42 3.41 -1.26 -4.13 113.62 110.36 3nmm n SER 44 Ca -0.02 -1.42 0.13 0.00 -0.26 0.00 0.00 58.87 57.29 3nmm n SER 44 Cb 0.13 -0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.57 3nmm n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3nmm n PHE 45 N -0.02 0.08 -1.39 7.33 0.99 -0.57 -5.04 117.46 118.85 3nmm n PHE 45 Ca 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3nmm n PHE 45 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.79 3nmm n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3nmm n GLY 46 N 1.13 0.54 3.61 1.37 0.00 -1.26 -4.69 105.19 105.89 3nmm n GLY 46 Ca 0.18 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3nmm n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nmm s ASP 47 N -4.00 6.38 -0.17 1.61 3.68 -1.26 -4.84 116.67 118.07 3nmm s ASP 47 Ca 0.00 1.15 0.14 0.00 2.13 0.00 0.00 52.55 55.96 3nmm s ASP 47 Cb 0.00 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.36 3nmm s ASP 47 CO 0.00 -1.33 1.21 0.18 0.13 0.00 0.00 175.17 175.35 3nmm n LEU 48 N 8.59 2.48 0.14 -1.34 4.77 -1.26 -4.13 117.00 126.26 3nmm n LEU 48 Ca 0.17 -3.57 0.02 0.00 -0.03 0.00 0.00 56.01 52.61 3nmm n LEU 48 Cb 0.47 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3nmm n LEU 48 CO 0.67 1.27 0.49 0.77 -1.33 0.00 0.00 177.39 179.26 3nmm h SER 49 N 1.10 0.00 -5.03 -1.43 4.64 -1.91 -3.44 113.55 107.47 3nmm h SER 49 Ca -0.03 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 3nmm h SER 49 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 3nmm h SER 49 CO 0.07 0.53 -0.65 0.42 -0.87 0.00 0.00 176.83 176.33 3nmm s THR 50 N -3.15 0.35 0.17 2.95 -4.23 -1.26 -5.02 115.64 105.45 3nmm s THR 50 Ca 0.02 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3nmm s THR 50 Cb 0.09 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.94 3nmm s THR 50 CO 0.74 -0.49 1.77 -0.65 -0.54 0.00 0.00 174.62 175.45 3nmm h PRO 51 N 2.80 0.39 -0.87 3.99 0.11 -1.99 -0.53 132.00 135.89 3nmm h PRO 51 Ca -0.36 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3nmm h PRO 51 Cb 1.20 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3nmm h PRO 51 CO 0.61 0.26 0.58 -0.44 -0.21 0.00 0.00 178.00 178.79 3nmm h ASP 52 N 0.40 0.98 -0.56 -2.05 3.32 -1.99 -0.94 116.42 115.57 3nmm h ASP 52 Ca 0.21 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3nmm h ASP 52 Cb 0.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3nmm h ASP 52 CO -0.18 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 178.05 3nmm h ALA 53 N 1.47 0.76 -0.16 3.45 0.00 -1.68 -1.34 119.26 121.76 3nmm h ALA 53 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3nmm h ALA 53 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3nmm h ALA 53 CO -0.08 0.58 0.10 0.28 0.00 0.00 0.00 179.25 180.12 3nmm h VAL 54 N 0.87 1.03 -0.02 0.00 2.07 -0.74 -1.02 116.25 118.44 3nmm h VAL 54 Ca 0.16 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 3nmm h VAL 54 Cb 0.53 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3nmm h VAL 54 CO 0.03 0.04 -0.49 0.24 0.02 0.00 0.00 177.57 177.40 3nmm h MET 55 N 0.20 0.04 -0.00 1.57 2.07 -1.01 -2.77 114.93 115.02 3nmm h MET 55 Ca 0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3nmm h MET 55 Cb -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 3nmm h MET 55 CO -0.02 0.53 -0.34 0.41 1.07 0.00 0.00 176.91 178.55 3nmm n GLY 56 N -0.09 -0.86 3.66 8.32 0.00 -0.52 -4.83 105.19 110.88 3nmm n GLY 56 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3nmm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nmm s ASN 57 N -2.69 6.76 0.44 1.61 3.84 -0.40 -4.91 114.94 119.59 3nmm s ASN 57 Ca 0.19 2.10 0.14 0.00 0.21 0.00 0.00 52.86 55.50 3nmm s ASN 57 Cb 0.19 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.33 3nmm s ASN 57 CO 0.59 -0.86 1.99 -0.65 -2.79 0.00 0.00 177.10 175.38 3nmm h PRO 58 N 8.94 0.04 -0.03 0.43 0.11 -1.90 -1.32 132.00 138.27 3nmm h PRO 58 Ca -0.36 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.53 3nmm h PRO 58 Cb 1.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3nmm h PRO 58 CO 0.95 0.20 -0.86 0.87 -0.21 0.00 0.00 178.00 178.95 3nmm h LYS 59 N 0.04 0.41 -0.23 1.05 1.57 -1.91 -0.24 116.57 117.27 3nmm h LYS 59 Ca 0.01 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3nmm h LYS 59 Cb 0.30 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3nmm h LYS 59 CO 0.02 1.06 0.12 0.28 -0.57 0.00 0.00 179.45 180.36 3nmm h VAL 60 N 0.25 1.13 -0.47 0.50 2.07 -1.77 -0.22 116.25 117.74 3nmm h VAL 60 Ca -0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3nmm h VAL 60 Cb 1.48 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3nmm h VAL 60 CO 0.15 0.13 0.27 0.11 0.02 0.00 0.00 177.57 178.24 3nmm h LYS 61 N 0.24 0.64 -0.78 1.57 1.57 -1.20 -0.71 116.57 117.91 3nmm h LYS 61 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3nmm h LYS 61 Cb 0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3nmm h LYS 61 CO -0.01 0.49 0.45 0.00 -0.57 0.00 0.00 179.45 179.80 3nmm h ALA 62 N 1.12 1.00 -0.42 3.86 0.00 -0.82 -0.77 119.26 123.22 3nmm h ALA 62 Ca 0.17 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3nmm h ALA 62 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3nmm h ALA 62 CO -0.03 0.49 -0.22 1.25 0.00 0.00 0.00 179.25 180.74 3nmm h HIS 63 N 1.08 0.96 -0.93 0.00 -0.00 -0.75 -2.43 115.15 113.08 3nmm h HIS 63 Ca 0.28 -0.22 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3nmm h HIS 63 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.13 3nmm h HIS 63 CO -0.00 0.98 0.60 0.78 -0.00 0.00 0.00 177.93 180.28 3nmm h GLY 64 N 0.94 1.38 1.01 5.26 0.00 -0.60 0.24 103.07 111.30 3nmm h GLY 64 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3nmm h GLY 64 CO 0.06 0.35 0.48 0.50 0.00 0.00 0.00 176.54 177.93 3nmm h LYS 65 N 1.12 1.03 -0.12 4.80 1.57 -0.91 -0.53 116.57 123.53 3nmm h LYS 65 Ca 0.38 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 3nmm h LYS 65 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3nmm h LYS 65 CO -0.15 0.71 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.16 3nmm h LYS 66 N 1.04 0.24 0.03 3.15 3.64 -0.87 -0.35 116.57 123.45 3nmm h LYS 66 Ca 0.28 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3nmm h LYS 66 Cb -0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3nmm h LYS 66 CO -0.06 0.59 -0.01 0.28 -2.27 0.00 0.00 179.45 177.98 3nmm h VAL 67 N -0.11 1.12 0.00 2.00 2.07 -0.92 -2.57 116.25 117.84 3nmm h VAL 67 Ca 0.03 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3nmm h VAL 67 Cb 0.52 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3nmm h VAL 67 CO 0.02 0.12 -0.20 0.25 0.02 0.00 0.00 177.57 177.78 3nmm h LEU 68 N -0.23 0.00 -0.61 2.57 5.85 -1.12 -1.05 115.31 120.72 3nmm h LEU 68 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3nmm h LEU 68 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3nmm h LEU 68 CO 0.01 0.20 0.07 1.23 -0.34 0.00 0.00 178.44 179.60 3nmm h GLY 69 N 2.72 1.11 1.24 3.75 0.00 -0.95 0.18 103.07 111.11 3nmm h GLY 69 Ca -0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 47.33 46.41 3nmm h GLY 69 CO 0.03 0.71 -0.40 0.00 0.00 0.00 0.00 176.54 176.87 3nmm h ALA 70 N 1.01 0.64 -0.31 3.60 0.00 -1.03 -1.73 119.26 121.44 3nmm h ALA 70 Ca 0.18 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3nmm h ALA 70 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3nmm h ALA 70 CO 0.02 0.67 0.07 0.35 0.00 0.00 0.00 179.25 180.36 3nmm h PHE 71 N 0.68 0.13 -0.32 0.00 3.57 -1.02 -1.56 116.94 118.41 3nmm h PHE 71 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3nmm h PHE 71 Cb 0.98 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 3nmm h PHE 71 CO 0.06 0.04 0.11 1.03 -2.23 0.00 0.00 178.31 177.31 3nmm h SER 72 N 0.19 0.11 -0.24 0.41 0.87 -0.50 -1.71 113.55 112.68 3nmm h SER 72 Ca 0.14 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3nmm h SER 72 Cb 0.14 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3nmm h SER 72 CO -0.17 0.10 0.03 0.44 -0.53 0.00 0.00 176.83 176.69 3nmm h ASP 73 N 0.24 0.47 0.31 6.23 3.32 -1.11 -1.85 116.42 124.04 3nmm h ASP 73 Ca 0.15 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3nmm h ASP 73 Cb 0.12 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3nmm h ASP 73 CO -0.16 0.52 -0.08 1.23 -1.72 0.00 0.00 179.24 179.04 3nmm h GLY 74 N 0.79 0.00 2.00 2.75 0.00 -0.35 -2.32 103.07 105.93 3nmm h GLY 74 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3nmm h GLY 74 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 3nmm n LEU 75 N -3.59 0.28 -0.09 3.11 4.77 -0.70 -1.07 117.00 119.71 3nmm n LEU 75 Ca -0.02 0.58 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 3nmm n LEU 75 Cb 0.20 -0.56 0.70 0.00 -2.33 0.00 0.00 43.42 41.43 3nmm n LEU 75 CO 0.28 -0.46 0.95 0.00 -1.33 0.00 0.00 177.39 176.83 3nmm n ALA 76 N -1.62 2.67 -2.63 -1.18 0.00 -0.87 -4.15 120.51 112.73 3nmm n ALA 76 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 3nmm n ALA 76 Cb 0.15 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.24 3nmm n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3nmm n HIS 77 N -0.98 1.67 0.29 0.00 8.25 -0.23 -4.89 115.22 119.32 3nmm n HIS 77 Ca 0.16 -2.50 0.17 0.00 -0.26 0.00 0.00 57.72 55.29 3nmm n HIS 77 Cb 0.24 -0.28 0.86 0.00 1.12 0.00 0.00 29.99 31.93 3nmm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3nmm h LEU 78 N 2.69 0.00 -1.32 2.41 3.38 -1.72 -0.56 115.31 120.19 3nmm h LEU 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3nmm h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3nmm h LEU 78 CO 0.45 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.50 3nmm n ASP 79 N -3.32 1.95 -2.69 -0.43 10.43 -1.26 -4.33 116.55 116.89 3nmm n ASP 79 Ca -0.01 -1.90 -0.07 0.00 2.57 0.00 0.00 54.79 55.37 3nmm n ASP 79 Cb 0.21 -0.20 0.08 0.00 1.84 0.00 0.00 41.12 43.05 3nmm n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3nmm n ASN 80 N 0.54 -0.36 -0.30 -2.24 5.15 -0.25 -4.96 115.26 112.84 3nmm n ASN 80 Ca 0.14 -2.51 -0.05 0.00 -0.60 0.00 0.00 54.58 51.57 3nmm n ASN 80 Cb 0.33 0.30 0.07 0.00 -0.53 0.00 0.00 39.78 39.95 3nmm n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3nmm h LEU 81 N 2.34 1.02 -0.26 1.20 3.38 -1.68 -1.53 115.31 119.79 3nmm h LEU 81 Ca -0.22 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3nmm h LEU 81 Cb 1.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3nmm h LEU 81 CO 0.15 0.84 0.15 0.11 0.09 0.00 0.00 178.44 179.79 3nmm h LYS 82 N 1.13 0.31 -0.42 1.13 1.57 -1.89 -1.26 116.57 117.13 3nmm h LYS 82 Ca 0.28 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3nmm h LYS 82 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3nmm h LYS 82 CO -0.04 0.21 0.19 0.78 -0.57 0.00 0.00 179.45 180.01 3nmm h GLY 83 N 0.32 0.66 1.18 3.86 0.00 -1.92 -1.51 103.07 105.67 3nmm h GLY 83 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3nmm h GLY 83 CO -0.05 0.32 0.55 -0.84 0.00 0.00 0.00 176.54 176.53 3nmm h THR 84 N 0.54 1.22 -0.27 4.70 2.02 -1.01 -2.97 112.91 117.14 3nmm h THR 84 Ca 0.14 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3nmm h THR 84 Cb 0.15 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3nmm h THR 84 CO -0.02 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3nmm n PHE 85 N -4.40 0.33 -0.13 3.16 3.01 -0.50 -4.67 117.46 114.26 3nmm n PHE 85 Ca 0.09 -0.18 -0.06 0.00 1.01 0.00 0.00 57.45 58.31 3nmm n PHE 85 Cb 0.03 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.52 3nmm n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3nmm h ALA 86 N 4.28 0.50 -0.28 4.37 0.00 -1.10 0.21 119.26 127.25 3nmm h ALA 86 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3nmm h ALA 86 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3nmm h ALA 86 CO 0.00 -0.17 -0.46 1.15 0.00 0.00 0.00 179.25 179.78 3nmm h THR 87 N 0.40 1.29 -0.17 0.00 2.02 -1.83 -1.65 112.91 112.97 3nmm h THR 87 Ca 0.18 -1.65 -0.07 0.00 0.77 0.00 0.00 66.41 65.63 3nmm h THR 87 Cb 0.09 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3nmm h THR 87 CO -0.13 0.53 -0.20 -0.07 0.37 0.00 0.00 175.52 176.02 3nmm h LEU 88 N 0.58 0.29 -0.05 2.58 3.38 -1.77 -1.83 115.31 118.49 3nmm h LEU 88 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3nmm h LEU 88 Cb 1.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3nmm h LEU 88 CO 0.10 0.51 0.03 -1.28 0.09 0.00 0.00 178.44 177.89 3nmm h SER 89 N 0.27 0.07 -0.94 -0.43 0.87 -0.08 -0.24 113.55 113.08 3nmm h SER 89 Ca 0.05 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3nmm h SER 89 Cb 0.52 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 3nmm h SER 89 CO 0.03 0.09 0.61 -0.33 -0.53 0.00 0.00 176.83 176.71 3nmm h GLU 90 N 0.04 1.18 -0.27 2.24 5.08 -1.09 -0.96 114.58 120.79 3nmm h GLU 90 Ca 0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3nmm h GLU 90 Cb 0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3nmm h GLU 90 CO -0.00 0.78 0.06 1.25 -1.00 0.00 0.00 179.01 180.10 3nmm h LEU 91 N 1.21 0.40 -1.31 1.33 5.85 -1.09 0.12 115.31 121.83 3nmm h LEU 91 Ca 0.36 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3nmm h LEU 91 Cb -0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3nmm h LEU 91 CO -0.10 0.53 -0.25 0.45 -0.34 0.00 0.00 178.44 178.72 3nmm h HIS 92 N 0.26 0.15 0.05 1.25 3.86 -0.59 -1.25 115.15 118.89 3nmm h HIS 92 Ca 0.08 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3nmm h HIS 92 Cb 0.28 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3nmm h HIS 92 CO 0.01 0.39 -0.03 0.00 0.86 0.00 0.00 177.93 179.17 3nmm h ASP 94 N -0.97 0.21 0.00 0.00 3.32 -0.71 -3.22 116.42 115.04 3nmm h ASP 94 Ca -0.01 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 3nmm h ASP 94 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3nmm h ASP 94 CO 0.01 1.10 -1.25 0.29 -1.72 0.00 0.00 179.24 177.67 3nmm n LYS 95 N -3.52 0.11 0.12 3.56 4.76 -0.56 -4.77 118.16 117.87 3nmm n LYS 95 Ca -0.04 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.54 3nmm n LYS 95 Cb 0.91 -1.07 0.03 0.00 -1.84 0.00 0.00 35.03 33.06 3nmm n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3nmm h LEU 96 N -0.01 0.00 -1.54 -0.35 3.38 -1.40 -3.49 115.31 111.91 3nmm h LEU 96 Ca -0.10 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.39 3nmm h LEU 96 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3nmm h LEU 96 CO -0.02 0.01 -0.83 1.41 0.09 0.00 0.00 178.44 179.10 3nmm n HIS 97 N -2.76 -1.90 -3.14 1.13 8.25 -0.28 -4.95 115.22 111.57 3nmm n HIS 97 Ca 0.01 0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 57.87 3nmm n HIS 97 Cb 0.55 -3.90 -0.07 0.00 1.12 0.00 0.00 29.99 27.69 3nmm n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3nmm s VAL 98 N -3.63 4.91 0.07 1.59 1.01 -0.63 -5.03 120.40 118.70 3nmm s VAL 98 Ca 0.26 0.49 -0.33 0.00 0.00 0.00 0.00 61.98 62.40 3nmm s VAL 98 Cb -0.13 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 3nmm s VAL 98 CO 0.86 -0.32 1.75 -0.67 0.00 0.00 0.00 175.10 176.72 3nmm n ASP 99 N 5.99 3.50 0.15 3.32 4.64 -1.26 -4.77 116.55 128.12 3nmm n ASP 99 Ca -0.02 1.02 0.11 0.00 -1.38 0.00 0.00 54.79 54.52 3nmm n ASP 99 Cb 0.49 -1.45 0.55 0.00 -1.04 0.00 0.00 41.12 39.67 3nmm n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3nmm n PRO 100 N 5.11 0.15 -0.03 -0.67 -0.02 -1.26 -1.08 135.00 137.20 3nmm n PRO 100 Ca 0.19 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.41 3nmm n PRO 100 Cb 0.32 -1.93 0.59 0.00 -0.02 0.00 0.00 33.50 32.45 3nmm n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3nmm h GLU 101 N 0.00 0.21 -0.75 -0.52 4.57 -1.98 -0.38 114.58 115.73 3nmm h GLU 101 Ca 0.00 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3nmm h GLU 101 Cb 0.08 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 3nmm h GLU 101 CO 0.00 0.14 0.49 -0.91 -1.18 0.00 0.00 179.01 177.55 3nmm h ASN 102 N 0.22 0.56 -0.30 1.04 2.35 -1.47 -0.75 115.58 117.24 3nmm h ASN 102 Ca 0.25 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 3nmm h ASN 102 Cb 0.71 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3nmm h ASN 102 CO -0.05 0.33 -0.04 -0.26 -1.65 0.00 0.00 177.43 175.77 3nmm h PHE 103 N 0.62 0.71 -0.25 1.19 0.04 -1.24 -0.79 116.94 117.21 3nmm h PHE 103 Ca 0.35 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 3nmm h PHE 103 Cb 0.52 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3nmm h PHE 103 CO -0.00 0.69 -0.24 0.00 -0.60 0.00 0.00 178.31 178.16 3nmm h ARG 104 N 0.62 0.61 -0.63 1.51 3.08 -1.14 -1.47 114.38 116.96 3nmm h ARG 104 Ca 0.12 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3nmm h ARG 104 Cb 0.45 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3nmm h ARG 104 CO 0.02 0.92 0.36 -0.07 -1.07 0.00 0.00 179.97 180.12 3nmm h LEU 105 N 0.33 0.77 -0.73 3.04 3.38 -1.08 -1.16 115.31 119.85 3nmm h LEU 105 Ca 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3nmm h LEU 105 Cb 0.80 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3nmm h LEU 105 CO 0.06 0.63 0.27 0.25 0.09 0.00 0.00 178.44 179.74 3nmm h LEU 106 N 0.85 1.04 -0.67 1.67 5.85 -1.07 -1.28 115.31 121.71 3nmm h LEU 106 Ca 0.22 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3nmm h LEU 106 Cb 0.02 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 3nmm h LEU 106 CO -0.04 0.95 0.32 1.23 -0.34 0.00 0.00 178.44 180.55 3nmm h GLY 107 N 1.07 0.98 0.98 3.75 0.00 -0.84 0.19 103.07 109.20 3nmm h GLY 107 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3nmm h GLY 107 CO -0.01 0.05 0.25 3.43 0.00 0.00 0.00 176.54 180.25 3nmm h ASN 108 N 0.55 0.50 -0.42 0.19 2.35 -0.66 -1.73 115.58 116.37 3nmm h ASN 108 Ca 0.33 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3nmm h ASN 108 Cb 0.34 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3nmm h ASN 108 CO -0.26 0.42 -0.21 0.58 -1.65 0.00 0.00 177.43 176.30 3nmm h VAL 109 N 0.54 1.27 -0.60 2.81 2.07 -0.82 -2.03 116.25 119.50 3nmm h VAL 109 Ca 0.15 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3nmm h VAL 109 Cb 0.01 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3nmm h VAL 109 CO -0.03 0.47 0.33 0.25 0.02 0.00 0.00 177.57 178.60 3nmm h LEU 110 N 0.80 0.75 -0.49 2.57 5.85 -0.43 0.93 115.31 125.29 3nmm h LEU 110 Ca 0.11 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3nmm h LEU 110 Cb 0.77 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3nmm h LEU 110 CO 0.06 0.63 0.27 0.58 -0.34 0.00 0.00 178.44 179.65 3nmm h VAL 111 N 0.81 1.17 -0.65 1.05 2.07 -1.15 0.50 116.25 120.05 3nmm h VAL 111 Ca 0.21 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3nmm h VAL 111 Cb 0.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3nmm h VAL 111 CO -0.03 0.18 0.34 0.00 0.02 0.00 0.00 177.57 178.07 3nmm h VAL 113 N 0.90 1.28 -0.63 0.00 2.07 -0.22 -0.08 116.25 119.57 3nmm h VAL 113 Ca 0.23 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3nmm h VAL 113 Cb 0.05 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3nmm h VAL 113 CO -0.03 0.39 0.18 -0.07 0.02 0.00 0.00 177.57 178.06 3nmm h LEU 114 N 0.54 0.91 -0.45 2.57 3.38 -0.71 0.19 115.31 121.74 3nmm h LEU 114 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3nmm h LEU 114 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3nmm h LEU 114 CO 0.04 0.86 0.23 0.00 0.09 0.00 0.00 178.44 179.66 3nmm h ALA 115 N 1.26 0.58 -0.32 1.53 0.00 -0.92 -0.08 119.26 121.31 3nmm h ALA 115 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3nmm h ALA 115 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nmm h ALA 115 CO -0.01 0.13 0.15 1.25 0.00 0.00 0.00 179.25 180.77 3nmm h HIS 116 N 0.59 0.47 -0.31 0.00 -0.00 -0.62 0.22 115.15 115.50 3nmm h HIS 116 Ca 0.16 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.40 3nmm h HIS 116 Cb 0.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3nmm h HIS 116 CO -0.01 0.42 -0.18 1.25 -0.00 0.00 0.00 177.93 179.41 3nmm h HIS 117 N 0.38 0.77 -0.00 5.26 6.17 -0.45 -3.32 115.15 123.96 3nmm h HIS 117 Ca 0.11 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.99 3nmm h HIS 117 Cb 0.13 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 29.89 3nmm h HIS 117 CO -0.01 0.91 -0.95 1.19 0.71 0.00 0.00 177.93 179.77 3nmm n PHE 118 N -4.35 0.00 -1.77 5.26 3.01 -0.06 -5.04 117.46 114.51 3nmm n PHE 118 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3nmm n PHE 118 Cb 0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 3nmm n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nmm n GLY 119 N 1.50 3.04 0.32 1.37 0.00 0.06 -2.09 105.19 109.38 3nmm n GLY 119 Ca 0.04 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.07 3nmm n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3nmm h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.17 116.57 118.49 3nmm h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3nmm h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3nmm h LYS 120 CO 0.00 0.01 -0.06 1.49 -2.00 0.00 0.00 179.45 178.89 3nmm h GLU 121 N 0.00 0.00 -3.85 0.07 4.81 -1.81 -3.28 114.58 110.51 3nmm h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 3nmm h GLU 121 Cb 0.12 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.40 3nmm h GLU 121 CO 0.00 0.06 2.56 0.34 -0.73 0.00 0.00 179.01 181.24 3nmm n PHE 122 N -3.83 3.34 -1.36 0.92 7.35 0.05 -4.92 117.46 119.00 3nmm n PHE 122 Ca -0.03 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 3nmm n PHE 122 Cb 0.15 -2.27 0.14 0.00 0.35 0.00 0.00 39.48 37.84 3nmm n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nmm s THR 123 N 1.91 2.44 0.26 -2.13 -4.23 -1.24 -4.64 115.64 108.01 3nmm s THR 123 Ca 0.44 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 3nmm s THR 123 Cb 0.11 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 71.43 3nmm s THR 123 CO -0.04 -0.19 1.75 -0.65 -0.54 0.00 0.00 174.62 174.95 3nmm h PRO 124 N -1.52 0.55 -0.41 3.99 0.11 -1.93 0.51 132.00 133.30 3nmm h PRO 124 Ca -0.50 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 3nmm h PRO 124 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3nmm h PRO 124 CO 0.58 0.36 -0.12 -1.35 -0.21 0.00 0.00 178.00 177.27 3nmm h PRO 125 N 0.56 0.73 -0.39 1.05 0.11 -1.99 -1.05 132.00 131.03 3nmm h PRO 125 Ca 0.45 -0.24 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 3nmm h PRO 125 Cb 0.65 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3nmm h PRO 125 CO -0.37 0.82 0.03 0.28 -0.21 0.00 0.00 178.00 178.55 3nmm h VAL 126 N 0.66 1.25 -0.49 3.15 2.07 -1.74 -2.24 116.25 118.91 3nmm h VAL 126 Ca 0.11 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3nmm h VAL 126 Cb 0.58 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3nmm h VAL 126 CO 0.04 0.32 0.27 -0.61 0.02 0.00 0.00 177.57 177.60 3nmm h GLN 127 N 0.51 0.52 -1.00 1.57 4.15 -0.69 -1.26 115.11 118.90 3nmm h GLN 127 Ca 0.12 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.56 3nmm h GLN 127 Cb 0.42 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 3nmm h GLN 127 CO 0.01 0.34 0.65 0.00 -1.93 0.00 0.00 178.83 177.91 3nmm h ALA 128 N 1.24 1.36 -0.04 3.38 0.00 -0.95 0.18 119.26 124.43 3nmm h ALA 128 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nmm h ALA 128 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3nmm h ALA 128 CO -0.12 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.65 3nmm h ALA 129 N 1.43 0.05 -0.22 0.00 0.00 -0.98 -2.30 119.26 117.24 3nmm h ALA 129 Ca 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3nmm h ALA 129 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3nmm h ALA 129 CO -0.15 -0.42 0.04 1.88 0.00 0.00 0.00 179.25 180.60 3nmm h TYR 130 N -0.00 0.31 -0.71 0.00 0.05 -0.55 -1.93 116.97 114.14 3nmm h TYR 130 Ca 0.01 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3nmm h TYR 130 Cb 0.06 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3nmm h TYR 130 CO -0.05 0.29 0.20 1.96 -1.05 0.00 0.00 178.16 179.51 3nmm h GLN 131 N 0.31 1.11 -0.75 4.88 1.08 -0.41 0.11 115.11 121.44 3nmm h GLN 131 Ca 0.08 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 3nmm h GLN 131 Cb 0.15 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 3nmm h GLN 131 CO -0.00 0.96 0.49 0.87 -0.95 0.00 0.00 178.83 180.20 3nmm h LYS 132 N 1.06 0.99 -0.02 1.46 1.57 -0.86 -1.71 116.57 119.06 3nmm h LYS 132 Ca 0.23 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3nmm h LYS 132 Cb 0.33 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3nmm h LYS 132 CO -0.00 0.66 0.00 0.28 -0.57 0.00 0.00 179.45 179.82 3nmm h VAL 133 N 1.02 1.19 -0.33 0.50 2.07 -0.82 -0.66 116.25 119.23 3nmm h VAL 133 Ca 0.27 -0.58 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3nmm h VAL 133 Cb -0.11 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3nmm h VAL 133 CO -0.06 0.15 -0.27 -0.37 0.02 0.00 0.00 177.57 177.05 3nmm h VAL 134 N -0.20 1.28 -0.63 2.57 -1.51 -0.92 0.38 116.25 117.21 3nmm h VAL 134 Ca 0.01 -1.37 0.03 0.00 -1.23 0.00 0.00 66.70 64.14 3nmm h VAL 134 Cb 0.24 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 30.67 3nmm h VAL 134 CO 0.00 0.45 0.38 0.00 -1.23 0.00 0.00 177.57 177.16 3nmm h ALA 135 N 1.13 0.82 -0.42 5.19 0.00 -1.30 -1.66 119.26 123.02 3nmm h ALA 135 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3nmm h ALA 135 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3nmm h ALA 135 CO 0.06 0.11 0.07 0.78 0.00 0.00 0.00 179.25 180.26 3nmm h GLY 136 N 0.73 0.74 0.91 0.00 0.00 -0.49 0.72 103.07 105.69 3nmm h GLY 136 Ca 0.26 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3nmm h GLY 136 CO -0.12 0.46 0.10 -2.08 0.00 0.00 0.00 176.54 174.90 3nmm h VAL 137 N 0.54 1.20 -0.69 4.60 2.07 -0.90 -0.64 116.25 122.43 3nmm h VAL 137 Ca 0.13 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3nmm h VAL 137 Cb 0.37 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3nmm h VAL 137 CO 0.01 0.21 0.31 0.00 0.02 0.00 0.00 177.57 178.12 3nmm h ALA 138 N 0.94 0.89 -0.70 1.67 0.00 -1.11 0.04 119.26 121.00 3nmm h ALA 138 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3nmm h ALA 138 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3nmm h ALA 138 CO -0.00 0.48 0.17 -0.91 0.00 0.00 0.00 179.25 178.99 3nmm h ASN 139 N 0.97 1.06 -0.56 0.00 2.35 -0.72 -1.42 115.58 117.27 3nmm h ASN 139 Ca 0.24 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3nmm h ASN 139 Cb 0.15 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3nmm h ASN 139 CO -0.03 1.02 0.24 0.00 -1.65 0.00 0.00 177.43 177.01 3nmm h ALA 140 N 1.08 0.72 0.00 -0.83 0.00 -0.75 -1.73 119.26 117.75 3nmm h ALA 140 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3nmm h ALA 140 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3nmm h ALA 140 CO 0.00 0.32 -0.10 -0.07 0.00 0.00 0.00 179.25 179.40 3nmm h LEU 141 N 0.76 0.00 0.00 0.00 3.38 -0.80 -2.56 115.31 116.09 3nmm h LEU 141 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3nmm h LEU 141 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3nmm h LEU 141 CO -0.02 0.10 -0.51 0.00 0.09 0.00 0.00 178.44 178.11 3nmm n ALA 142 N -2.15 3.03 0.21 1.53 0.00 -0.55 -4.40 120.51 118.18 3nmm n ALA 142 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.25 3nmm n ALA 142 Cb 0.40 -1.20 0.47 0.00 0.00 0.00 0.00 19.45 19.13 3nmm n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nmm h HIS 143 N 0.00 0.00 -0.49 0.00 6.17 -0.88 -2.46 115.15 117.49 3nmm h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3nmm h HIS 143 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.58 3nmm h HIS 143 CO 0.00 0.27 0.00 1.63 0.71 0.00 0.00 177.93 180.54 3nmm n LYS 144 N -3.96 2.36 -2.00 5.26 4.76 -1.26 -4.93 118.16 118.39 3nmm n LYS 144 Ca -0.02 -2.10 -0.38 0.00 -2.87 0.00 0.00 58.31 52.94 3nmm n LYS 144 Cb 0.34 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.07 3nmm n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nmm s TYR 145 N -1.35 2.61 0.00 2.13 2.02 -0.93 -4.74 117.35 117.09 3nmm s TYR 145 Ca 0.39 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 3nmm s TYR 145 Cb 0.21 -3.65 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 3nmm s TYR 145 CO 0.29 -2.27 0.00 -2.39 -1.57 0.00 0.00 175.55 169.61