#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nmm s LEU 2 N 0.00 4.06 0.85 1.34 1.43 -1.26 -5.05 118.68 120.05 3nmm s LEU 2 Ca 0.00 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3nmm s LEU 2 Cb 0.00 -3.18 0.10 0.00 0.03 0.00 0.00 46.19 43.14 3nmm s LEU 2 CO 0.00 -0.62 1.12 -0.94 0.23 0.00 0.00 176.35 176.13 3nmm s SER 3 N 1.53 4.00 0.42 2.29 1.04 -1.26 -4.82 113.70 116.89 3nmm s SER 3 Ca 0.35 1.15 0.09 0.00 0.48 0.00 0.00 55.95 58.02 3nmm s SER 3 Cb -0.14 -1.81 0.88 0.00 0.10 0.00 0.00 66.02 65.06 3nmm s SER 3 CO 0.11 -2.26 2.03 -0.65 0.98 0.00 0.00 173.24 173.44 3nmm h PRO 4 N -1.30 0.39 -0.52 4.02 0.11 -1.99 -0.86 132.00 131.86 3nmm h PRO 4 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3nmm h PRO 4 Cb 1.30 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3nmm h PRO 4 CO 0.60 0.32 -0.04 0.00 -0.21 0.00 0.00 178.00 178.68 3nmm h ALA 5 N 1.74 0.70 -0.27 -0.75 0.00 -1.99 -0.62 119.26 118.07 3nmm h ALA 5 Ca 0.10 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3nmm h ALA 5 Cb 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3nmm h ALA 5 CO -0.01 0.55 -0.00 -0.44 0.00 0.00 0.00 179.25 179.35 3nmm h ASP 6 N 0.80 -0.11 -0.77 0.00 3.32 -1.75 -0.36 116.42 117.56 3nmm h ASP 6 Ca 0.14 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3nmm h ASP 6 Cb 0.58 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3nmm h ASP 6 CO 0.03 -0.02 0.42 0.11 -1.72 0.00 0.00 179.24 178.06 3nmm h LYS 7 N 0.08 1.08 -0.45 3.56 1.57 -0.93 -0.20 116.57 121.27 3nmm h LYS 7 Ca 0.13 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nmm h LYS 7 Cb 0.17 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3nmm h LYS 7 CO -0.22 0.80 0.28 1.15 -0.57 0.00 0.00 179.45 180.89 3nmm h THR 8 N 1.07 1.14 -0.32 -0.16 2.02 -0.79 -1.18 112.91 114.69 3nmm h THR 8 Ca 0.27 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3nmm h THR 8 Cb 0.04 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3nmm h THR 8 CO -0.04 0.14 0.15 0.78 0.37 0.00 0.00 175.52 176.91 3nmm h ASN 9 N 0.60 0.42 -0.30 4.18 2.35 -0.67 -1.28 115.58 120.88 3nmm h ASN 9 Ca 0.16 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3nmm h ASN 9 Cb -0.02 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3nmm h ASN 9 CO -0.03 0.43 0.16 0.58 -1.65 0.00 0.00 177.43 176.92 3nmm h VAL 10 N 0.37 1.13 -0.88 2.81 2.07 -0.93 -0.90 116.25 119.93 3nmm h VAL 10 Ca 0.11 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3nmm h VAL 10 Cb 0.13 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3nmm h VAL 10 CO -0.01 0.13 0.54 0.11 0.02 0.00 0.00 177.57 178.36 3nmm h LYS 11 N 0.37 1.19 -0.49 1.57 1.57 -1.09 0.73 116.57 120.42 3nmm h LYS 11 Ca 0.11 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3nmm h LYS 11 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3nmm h LYS 11 CO -0.02 0.83 -0.05 0.00 -0.57 0.00 0.00 179.45 179.65 3nmm h ALA 12 N 1.29 0.67 -0.12 3.86 0.00 -1.10 0.54 119.26 124.40 3nmm h ALA 12 Ca 0.32 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3nmm h ALA 12 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3nmm h ALA 12 CO -0.06 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.42 3nmm h ALA 13 N 0.91 0.20 -0.04 0.00 0.00 -0.91 -1.93 119.26 117.49 3nmm h ALA 13 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3nmm h ALA 13 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3nmm h ALA 13 CO 0.03 0.21 -0.43 2.35 0.00 0.00 0.00 179.25 181.41 3nmm h TRP 14 N -0.02 0.11 -0.57 0.00 2.91 -0.84 -2.02 115.95 115.53 3nmm h TRP 14 Ca -0.00 -0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.92 3nmm h TRP 14 Cb 0.89 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 3nmm h TRP 14 CO 0.11 0.51 0.07 0.78 -1.03 0.00 0.00 178.44 178.88 3nmm h GLY 15 N 1.29 1.00 1.00 2.65 0.00 -0.73 -1.76 103.07 106.52 3nmm h GLY 15 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 3nmm h GLY 15 CO 0.06 0.60 -0.09 1.70 0.00 0.00 0.00 176.54 178.81 3nmm h LYS 16 N 0.87 0.83 -0.46 4.80 1.63 -0.84 -2.72 116.57 120.68 3nmm h LYS 16 Ca 0.17 -0.31 0.09 0.00 -0.85 0.00 0.00 60.65 59.76 3nmm h LYS 16 Cb 0.42 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.90 3nmm h LYS 16 CO 0.01 0.93 -0.19 0.28 -3.45 0.00 0.00 179.45 177.03 3nmm h VAL 17 N 0.66 0.40 0.00 2.00 2.07 -1.17 -3.45 116.25 116.76 3nmm h VAL 17 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3nmm h VAL 17 Cb 0.62 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3nmm h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 3nmm n GLY 18 N -1.39 3.31 0.00 2.17 0.00 -0.68 -1.71 105.19 106.90 3nmm n GLY 18 Ca 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3nmm n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nmm n ALA 19 N 10.56 1.71 1.65 4.61 0.00 -1.26 -2.25 120.51 135.53 3nmm n ALA 19 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3nmm n ALA 19 Cb 0.00 -1.21 0.61 0.00 0.00 0.00 0.00 19.45 18.85 3nmm n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3nmm n HIS 20 N -1.34 0.05 -0.19 0.00 8.25 -0.69 -4.42 115.22 116.88 3nmm n HIS 20 Ca 0.05 -0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.45 3nmm n HIS 20 Cb 0.11 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.29 3nmm n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nmm h ALA 21 N 4.07 0.74 -0.73 -1.41 0.00 -1.60 -1.14 119.26 119.19 3nmm h ALA 21 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3nmm h ALA 21 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3nmm h ALA 21 CO 0.00 -0.02 0.40 0.78 0.00 0.00 0.00 179.25 180.42 3nmm h GLY 22 N 0.59 1.10 1.00 0.00 0.00 -1.81 -0.31 103.07 103.64 3nmm h GLY 22 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3nmm h GLY 22 CO -0.15 0.48 0.38 0.83 0.00 0.00 0.00 176.54 178.07 3nmm h GLU 23 N 1.01 0.79 -0.13 4.80 5.08 -1.64 -2.09 114.58 122.40 3nmm h GLU 23 Ca 0.26 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3nmm h GLU 23 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3nmm h GLU 23 CO -0.04 0.54 -0.44 1.88 -1.00 0.00 0.00 179.01 179.95 3nmm h TYR 24 N 0.80 0.37 -0.53 4.33 0.99 -0.70 -1.22 116.97 121.00 3nmm h TYR 24 Ca 0.21 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3nmm h TYR 24 Cb -0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.56 3nmm h TYR 24 CO -0.03 0.70 0.25 0.78 -0.00 0.00 0.00 178.16 179.87 3nmm h GLY 25 N 1.22 0.82 0.97 3.88 0.00 -0.80 0.45 103.07 109.62 3nmm h GLY 25 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3nmm h GLY 25 CO 0.07 0.39 0.21 0.00 0.00 0.00 0.00 176.54 177.22 3nmm h ALA 26 N 1.09 0.63 -0.82 3.60 0.00 -1.06 -1.97 119.26 120.73 3nmm h ALA 26 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3nmm h ALA 26 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3nmm h ALA 26 CO -0.02 0.22 0.37 1.49 0.00 0.00 0.00 179.25 181.30 3nmm h GLU 27 N 0.64 1.21 -0.82 0.00 4.81 -1.02 -1.35 114.58 118.05 3nmm h GLU 27 Ca 0.16 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3nmm h GLU 27 Cb 0.16 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3nmm h GLU 27 CO -0.02 0.95 0.44 0.00 -0.73 0.00 0.00 179.01 179.65 3nmm h ALA 28 N 1.20 1.05 -0.49 2.92 0.00 -0.66 0.83 119.26 124.10 3nmm h ALA 28 Ca 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3nmm h ALA 28 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3nmm h ALA 28 CO -0.03 0.57 0.20 1.25 0.00 0.00 0.00 179.25 181.24 3nmm h LEU 29 N 1.14 0.67 -0.47 0.00 5.85 -0.93 -0.75 115.31 120.82 3nmm h LEU 29 Ca 0.29 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3nmm h LEU 29 Cb 0.05 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3nmm h LEU 29 CO -0.04 0.65 0.27 -0.08 -0.34 0.00 0.00 178.44 178.90 3nmm h GLU 30 N 0.65 0.64 -0.92 1.25 4.81 -0.86 -0.20 114.58 119.96 3nmm h GLU 30 Ca 0.16 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3nmm h GLU 30 Cb 0.18 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3nmm h GLU 30 CO -0.01 0.49 0.59 0.00 -0.73 0.00 0.00 179.01 179.35 3nmm h ARG 31 N 0.62 1.12 -0.45 1.92 3.08 -0.60 -1.96 114.38 118.11 3nmm h ARG 31 Ca 0.17 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3nmm h ARG 31 Cb 0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3nmm h ARG 31 CO -0.03 0.74 0.07 1.98 -1.07 0.00 0.00 179.97 181.66 3nmm h MET 32 N 1.15 0.76 -0.50 0.04 4.05 -0.48 -0.53 114.93 119.42 3nmm h MET 32 Ca 0.36 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 3nmm h MET 32 Cb 0.00 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3nmm h MET 32 CO -0.12 0.78 0.00 0.74 0.23 0.00 0.00 176.91 178.54 3nmm h PHE 33 N 0.62 0.88 0.03 1.39 0.04 -0.63 0.11 116.94 119.38 3nmm h PHE 33 Ca 0.14 -0.12 -0.27 0.00 2.80 0.00 0.00 57.97 60.52 3nmm h PHE 33 Cb 0.39 -0.24 0.02 0.00 2.20 0.00 0.00 35.95 38.33 3nmm h PHE 33 CO 0.03 0.81 -1.06 -0.07 -0.60 0.00 0.00 178.31 177.41 3nmm h LEU 34 N 0.77 0.89 -0.10 1.54 3.38 -1.28 -3.26 115.31 117.26 3nmm h LEU 34 Ca 0.15 -0.76 -0.24 0.00 0.09 0.00 0.00 57.88 57.12 3nmm h LEU 34 Cb 0.46 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3nmm h LEU 34 CO 0.02 1.53 -1.02 0.28 0.09 0.00 0.00 178.44 179.35 3nmm h SER 35 N 0.34 0.57 -2.41 -0.43 0.02 -0.95 -3.40 113.55 107.29 3nmm h SER 35 Ca -0.14 -0.48 -0.59 0.00 -0.84 0.00 0.00 61.79 59.74 3nmm h SER 35 Cb 1.72 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 63.69 3nmm h SER 35 CO 0.21 1.29 -0.87 0.49 -1.14 0.00 0.00 176.83 176.81 3nmm n PHE 36 N -3.72 0.74 0.19 3.45 3.01 0.39 -5.00 117.46 116.51 3nmm n PHE 36 Ca -0.08 -3.70 0.18 0.00 1.01 0.00 0.00 57.45 54.86 3nmm n PHE 36 Cb 0.88 -0.19 0.82 0.00 -0.01 0.00 0.00 39.48 40.97 3nmm n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3nmm h PRO 37 N 4.98 0.00 -0.02 -1.08 0.11 -1.74 -0.55 132.00 133.70 3nmm h PRO 37 Ca 0.19 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.30 3nmm h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3nmm h PRO 37 CO 0.53 0.00 0.03 1.79 -0.21 0.00 0.00 178.00 180.14 3nmm h THR 38 N 0.00 0.46 0.00 -1.15 1.35 -1.92 -0.79 112.91 110.86 3nmm h THR 38 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 3nmm h THR 38 Cb 0.57 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3nmm h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 3nmm h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.41 -2.19 112.91 117.48 3nmm h THR 39 Ca 0.01 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3nmm h THR 39 Cb 0.07 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3nmm h THR 39 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 3nmm h LYS 40 N 0.00 0.00 -0.01 4.72 1.57 -1.33 -2.74 116.57 118.78 3nmm h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nmm h LYS 40 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3nmm h LYS 40 CO 0.00 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.69 3nmm h THR 41 N 0.00 0.32 -0.00 -0.16 1.35 -1.57 -0.84 112.91 112.01 3nmm h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3nmm h THR 41 Cb 0.24 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3nmm h THR 41 CO 0.00 0.00 -0.21 -1.22 -0.25 0.00 0.00 175.52 173.84 3nmm n TYR 42 N -3.54 0.00 -2.55 4.73 4.01 -1.03 -4.37 117.16 114.41 3nmm n TYR 42 Ca -0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 3nmm n TYR 42 Cb 0.10 -0.27 0.02 0.00 -0.31 0.00 0.00 39.34 38.89 3nmm n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3nmm n PHE 43 N -1.20 2.15 0.31 -0.72 3.01 -0.32 -4.88 117.46 115.81 3nmm n PHE 43 Ca 0.10 -2.79 0.17 0.00 1.01 0.00 0.00 57.45 55.94 3nmm n PHE 43 Cb 0.31 -0.25 0.71 0.00 -0.01 0.00 0.00 39.48 40.24 3nmm n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3nmm h PRO 44 N 2.72 0.00 -0.01 -1.08 0.13 -1.76 -1.60 132.00 130.40 3nmm h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3nmm h PRO 44 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3nmm h PRO 44 CO 0.62 0.00 -0.11 -2.39 -0.23 0.00 0.00 178.00 175.89 3nmm n HIS 45 N -2.86 0.00 -3.65 1.56 1.44 -1.26 -4.90 115.22 105.55 3nmm n HIS 45 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.35 3nmm n HIS 45 Cb 0.25 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 3nmm n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3nmm s PHE 46 N -2.27 3.64 -0.16 -1.40 2.99 -0.60 -5.05 117.98 115.13 3nmm s PHE 46 Ca 0.32 0.77 -0.29 0.00 0.00 0.00 0.00 56.93 57.73 3nmm s PHE 46 Cb 0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 43.02 41.06 3nmm s PHE 46 CO 0.43 0.64 1.65 0.34 -0.00 0.00 0.00 175.22 178.28 3nmm s ASP 47 N -1.31 6.45 0.00 1.36 -1.08 -1.26 -4.90 116.67 115.94 3nmm s ASP 47 Ca 0.24 1.86 0.19 0.00 -0.52 0.00 0.00 52.55 54.32 3nmm s ASP 47 Cb -0.14 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 3nmm s ASP 47 CO 0.12 -1.16 1.44 0.18 0.52 0.00 0.00 175.17 176.27 3nmm n LEU 48 N 8.07 2.60 -4.77 -1.34 4.77 -1.26 -4.54 117.00 120.53 3nmm n LEU 48 Ca 0.19 -1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 54.64 3nmm n LEU 48 Cb 0.44 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3nmm n LEU 48 CO 0.64 0.60 0.74 -0.94 -1.33 0.00 0.00 177.39 177.10 3nmm s SER 49 N -1.30 5.17 0.20 -1.43 1.04 -1.26 -4.90 113.70 111.22 3nmm s SER 49 Ca 0.35 2.00 -0.33 0.00 0.48 0.00 0.00 55.95 58.46 3nmm s SER 49 Cb 0.19 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.63 3nmm s SER 49 CO 0.26 -1.59 1.56 1.57 0.98 0.00 0.00 173.24 176.03 3nmm n HIS 50 N -2.34 2.39 -0.38 5.02 -0.00 -1.26 -1.57 115.22 117.08 3nmm n HIS 50 Ca 0.10 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.55 3nmm n HIS 50 Cb 0.52 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 3nmm n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nmm n GLY 51 N 3.08 0.89 3.67 1.57 0.00 -1.26 -5.02 105.19 108.11 3nmm n GLY 51 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3nmm n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3nmm n SER 52 N 0.00 3.13 0.25 1.61 2.88 -0.61 -4.87 113.62 116.00 3nmm n SER 52 Ca 0.00 1.07 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 3nmm n SER 52 Cb 0.00 -1.42 0.64 0.00 -0.75 0.00 0.00 64.21 62.68 3nmm n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nmm h ALA 53 N 6.38 1.35 -0.36 -1.46 0.00 -1.90 -0.32 119.26 122.95 3nmm h ALA 53 Ca -0.45 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 3nmm h ALA 53 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3nmm h ALA 53 CO 0.90 0.20 -0.26 1.96 0.00 0.00 0.00 179.25 182.05 3nmm h GLN 54 N 0.00 0.80 -0.57 0.00 4.20 -1.89 -0.23 115.11 117.41 3nmm h GLN 54 Ca -0.00 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 3nmm h GLN 54 Cb 0.39 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3nmm h GLN 54 CO 0.02 1.02 0.10 0.28 -0.67 0.00 0.00 178.83 179.57 3nmm h VAL 55 N 0.59 1.26 -0.74 -0.54 2.07 -1.67 -1.70 116.25 115.52 3nmm h VAL 55 Ca 0.07 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3nmm h VAL 55 Cb 0.82 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3nmm h VAL 55 CO 0.07 0.35 0.33 0.11 0.02 0.00 0.00 177.57 178.46 3nmm h LYS 56 N 0.84 1.07 -0.39 1.57 1.57 -0.94 -0.28 116.57 120.01 3nmm h LYS 56 Ca 0.17 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3nmm h LYS 56 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3nmm h LYS 56 CO 0.01 0.85 -0.27 0.78 -0.57 0.00 0.00 179.45 180.26 3nmm h GLY 57 N 1.04 0.89 0.96 3.86 0.00 -0.77 -1.17 103.07 107.88 3nmm h GLY 57 Ca 0.25 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3nmm h GLY 57 CO -0.03 0.73 0.00 -0.25 0.00 0.00 0.00 176.54 177.00 3nmm h TRP 58 N 0.70 0.80 -0.95 5.60 7.01 -1.07 -2.57 115.95 125.47 3nmm h TRP 58 Ca 0.09 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.95 3nmm h TRP 58 Cb 0.80 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.61 3nmm h TRP 58 CO 0.04 0.80 0.61 0.78 -2.79 0.00 0.00 178.44 177.89 3nmm h GLY 59 N 0.57 1.35 0.95 2.65 0.00 -0.62 -0.25 103.07 107.72 3nmm h GLY 59 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3nmm h GLY 59 CO 0.02 0.51 0.18 0.50 0.00 0.00 0.00 176.54 177.75 3nmm h LYS 60 N 1.30 0.51 -0.37 4.80 1.57 -1.10 0.41 116.57 123.69 3nmm h LYS 60 Ca 0.35 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3nmm h LYS 60 Cb -0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3nmm h LYS 60 CO -0.07 0.45 -0.22 0.87 -0.57 0.00 0.00 179.45 179.90 3nmm h LYS 61 N 0.45 0.80 -0.13 3.15 1.57 -0.99 -1.11 116.57 120.30 3nmm h LYS 61 Ca 0.12 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3nmm h LYS 61 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3nmm h LYS 61 CO -0.02 0.99 0.07 0.28 -0.57 0.00 0.00 179.45 180.20 3nmm h VAL 62 N 0.59 1.11 -0.52 0.50 2.07 -1.00 -1.24 116.25 117.76 3nmm h VAL 62 Ca 0.08 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.36 3nmm h VAL 62 Cb 0.78 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3nmm h VAL 62 CO 0.06 0.10 0.14 0.00 0.02 0.00 0.00 177.57 177.90 3nmm h ALA 63 N 0.94 0.62 -0.47 1.67 0.00 -0.84 -0.40 119.26 120.78 3nmm h ALA 63 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3nmm h ALA 63 Cb 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nmm h ALA 63 CO -0.01 -0.26 0.09 -0.44 0.00 0.00 0.00 179.25 178.63 3nmm h ASP 64 N 0.30 0.67 -0.52 0.00 3.32 -0.94 0.13 116.42 119.37 3nmm h ASP 64 Ca 0.26 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3nmm h ASP 64 Cb 0.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3nmm h ASP 64 CO -0.30 0.68 -0.03 0.00 -1.72 0.00 0.00 179.24 177.87 3nmm h ALA 65 N 1.41 0.71 -0.40 3.45 0.00 -0.64 -1.45 119.26 122.34 3nmm h ALA 65 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3nmm h ALA 65 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3nmm h ALA 65 CO 0.00 0.55 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 3nmm h LEU 66 N 0.81 0.86 -0.81 0.00 3.38 -0.48 -0.55 115.31 118.52 3nmm h LEU 66 Ca 0.14 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3nmm h LEU 66 Cb 0.57 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3nmm h LEU 66 CO 0.03 1.06 0.51 0.74 0.09 0.00 0.00 178.44 180.88 3nmm h THR 67 N 0.72 1.11 -0.53 0.22 2.02 -0.57 0.06 112.91 115.93 3nmm h THR 67 Ca 0.09 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 3nmm h THR 67 Cb 0.79 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3nmm h THR 67 CO 0.07 0.18 -0.06 -1.13 0.37 0.00 0.00 175.52 174.95 3nmm h ASN 68 N 0.99 0.94 -0.47 4.18 -1.24 -0.95 -1.53 115.58 117.49 3nmm h ASN 68 Ca 0.33 -0.28 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 3nmm h ASN 68 Cb 0.03 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3nmm h ASN 68 CO -0.12 1.03 0.08 0.00 -1.29 0.00 0.00 177.43 177.12 3nmm h ALA 69 N 1.06 0.63 -0.78 1.57 0.00 -0.53 -1.63 119.26 119.58 3nmm h ALA 69 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3nmm h ALA 69 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3nmm h ALA 69 CO 0.04 0.36 0.31 0.28 0.00 0.00 0.00 179.25 180.23 3nmm h VAL 70 N 0.66 1.26 0.00 0.00 2.07 -0.80 -0.28 116.25 119.16 3nmm h VAL 70 Ca 0.14 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3nmm h VAL 70 Cb 0.39 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3nmm h VAL 70 CO 0.01 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3nmm h ALA 71 N 1.16 1.00 -0.54 1.67 0.00 -0.99 -3.10 119.26 118.47 3nmm h ALA 71 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.79 3nmm h ALA 71 Cb 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.64 3nmm h ALA 71 CO -0.02 0.00 -0.89 0.72 0.00 0.00 0.00 179.25 179.06 3nmm n HIS 72 N -3.08 1.87 0.30 0.00 8.25 -0.54 -4.89 115.22 117.14 3nmm n HIS 72 Ca -0.00 -2.03 0.16 0.00 -0.26 0.00 0.00 57.72 55.59 3nmm n HIS 72 Cb 0.24 -0.29 0.97 0.00 1.12 0.00 0.00 29.99 32.03 3nmm n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3nmm h VAL 73 N 3.35 0.45 -0.00 1.59 3.04 -1.02 0.11 116.25 123.77 3nmm h VAL 73 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 3nmm h VAL 73 Cb 1.42 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3nmm h VAL 73 CO 0.47 0.00 -0.11 0.47 -1.01 0.00 0.00 177.57 177.39 3nmm n ASP 74 N -3.73 0.11 -2.72 3.17 8.00 -1.26 -4.18 116.55 115.94 3nmm n ASP 74 Ca -0.03 0.33 -0.05 0.00 0.71 0.00 0.00 54.79 55.74 3nmm n ASP 74 Cb 0.08 -0.33 0.06 0.00 -0.02 0.00 0.00 41.12 40.91 3nmm n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3nmm n ASP 75 N -1.50 0.80 -0.05 -2.24 2.03 0.33 -4.94 116.55 110.98 3nmm n ASP 75 Ca 0.07 -2.42 -0.08 0.00 0.52 0.00 0.00 54.79 52.87 3nmm n ASP 75 Cb 0.34 -0.21 0.09 0.00 -0.72 0.00 0.00 41.12 40.62 3nmm n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3nmm h MET 76 N 2.58 0.68 -0.86 -0.67 2.86 -1.59 -2.55 114.93 115.38 3nmm h MET 76 Ca -0.17 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.19 3nmm h MET 76 Cb 1.23 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 3nmm h MET 76 CO 0.27 0.92 0.55 -1.35 1.06 0.00 0.00 176.91 178.36 3nmm h PRO 77 N 0.57 1.03 -0.27 -0.22 0.11 -1.92 -0.81 132.00 130.50 3nmm h PRO 77 Ca 0.06 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3nmm h PRO 77 Cb 0.85 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3nmm h PRO 77 CO 0.07 0.68 -0.52 -0.97 -0.21 0.00 0.00 178.00 177.06 3nmm h ASN 78 N 1.07 0.87 -0.39 -2.05 -1.24 -1.95 -1.44 115.58 110.45 3nmm h ASN 78 Ca 0.35 -0.45 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 3nmm h ASN 78 Cb 0.03 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3nmm h ASN 78 CO -0.12 1.22 0.11 0.00 -1.29 0.00 0.00 177.43 177.34 3nmm h ALA 79 N 0.80 1.33 -0.41 1.57 0.00 -0.97 -2.50 119.26 119.09 3nmm h ALA 79 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nmm h ALA 79 Cb 1.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3nmm h ALA 79 CO 0.11 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3nmm n LEU 80 N -4.30 3.24 -0.22 0.00 4.77 -0.37 -4.62 117.00 115.50 3nmm n LEU 80 Ca 0.03 -1.43 -0.04 0.00 -0.03 0.00 0.00 56.01 54.53 3nmm n LEU 80 Cb 0.21 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3nmm n LEU 80 CO 0.39 0.72 1.12 0.77 -1.33 0.00 0.00 177.39 179.06 3nmm h SER 81 N 4.08 0.67 -0.80 -1.43 4.64 -0.78 0.13 113.55 120.06 3nmm h SER 81 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3nmm h SER 81 Cb 0.90 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 3nmm h SER 81 CO 0.00 0.47 0.44 0.00 -0.87 0.00 0.00 176.83 176.87 3nmm h ALA 82 N 1.27 1.27 -0.09 5.18 0.00 -1.82 -0.49 119.26 124.58 3nmm h ALA 82 Ca 0.25 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3nmm h ALA 82 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3nmm h ALA 82 CO -0.09 0.60 -0.60 -0.07 0.00 0.00 0.00 179.25 179.09 3nmm h LEU 83 N 1.12 0.35 -0.69 0.00 3.38 -1.60 -1.06 115.31 116.81 3nmm h LEU 83 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3nmm h LEU 83 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3nmm h LEU 83 CO -0.05 0.86 0.44 0.28 0.09 0.00 0.00 178.44 180.07 3nmm h SER 84 N 0.23 0.81 -0.14 -0.43 0.02 -0.28 -0.50 113.55 113.27 3nmm h SER 84 Ca -0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3nmm h SER 84 Cb 1.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3nmm h SER 84 CO 0.10 0.61 0.08 0.44 -1.14 0.00 0.00 176.83 176.91 3nmm h ASP 85 N 0.94 0.17 -0.61 3.07 3.32 -0.91 -0.99 116.42 121.41 3nmm h ASP 85 Ca 0.25 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3nmm h ASP 85 Cb -0.08 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3nmm h ASP 85 CO -0.05 0.18 0.38 0.25 -1.72 0.00 0.00 179.24 178.27 3nmm h LEU 86 N 0.14 0.72 -0.08 1.55 5.85 -0.85 -0.99 115.31 121.65 3nmm h LEU 86 Ca 0.05 -0.05 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3nmm h LEU 86 Cb 0.04 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 40.91 3nmm h LEU 86 CO -0.01 0.55 -0.94 0.45 -0.34 0.00 0.00 178.44 178.15 3nmm h HIS 87 N 0.82 1.01 -0.64 1.25 3.86 -1.05 -0.30 115.15 120.09 3nmm h HIS 87 Ca 0.22 -0.51 -0.08 0.00 -1.16 0.00 0.00 60.37 58.84 3nmm h HIS 87 Cb -0.04 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3nmm h HIS 87 CO -0.02 1.35 0.09 0.00 0.86 0.00 0.00 177.93 180.21 3nmm h ALA 88 N 0.49 0.95 0.00 2.45 0.00 -0.99 0.26 119.26 122.42 3nmm h ALA 88 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3nmm h ALA 88 Cb 1.59 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3nmm h ALA 88 CO 0.19 0.65 -0.29 0.72 0.00 0.00 0.00 179.25 180.52 3nmm n HIS 89 N -4.21 0.00 0.01 0.00 8.25 -0.39 -4.58 115.22 114.29 3nmm n HIS 89 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3nmm n HIS 89 Cb 0.29 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3nmm n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3nmm n LYS 90 N -1.15 0.00 -0.10 -0.41 3.00 -0.76 -4.88 118.16 113.86 3nmm n LYS 90 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3nmm n LYS 90 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 35.03 34.93 3nmm n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3nmm h LEU 91 N 0.00 0.65 -1.23 3.14 3.38 -1.20 -3.47 115.31 116.58 3nmm h LEU 91 Ca 0.00 -0.42 -0.38 0.00 0.09 0.00 0.00 57.88 57.18 3nmm h LEU 91 Cb 0.00 -0.18 0.14 0.00 0.09 0.00 0.00 40.66 40.71 3nmm h LEU 91 CO 0.00 0.92 -0.73 0.54 0.09 0.00 0.00 178.44 179.26 3nmm n ARG 92 N -4.39 -7.19 -2.13 1.13 1.74 0.91 -4.93 116.66 101.80 3nmm n ARG 92 Ca -0.03 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 3nmm n ARG 92 Cb 0.39 -5.83 -0.03 0.00 -1.02 0.00 0.00 32.46 25.96 3nmm n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nmm s VAL 93 N -3.35 3.46 0.30 1.55 1.01 -1.25 -4.95 120.40 117.16 3nmm s VAL 93 Ca 0.32 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3nmm s VAL 93 Cb -0.14 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3nmm s VAL 93 CO 0.74 0.01 1.35 -0.67 0.00 0.00 0.00 175.10 176.53 3nmm n ASP 94 N 5.26 2.82 0.17 3.32 2.03 -1.26 -4.83 116.55 124.06 3nmm n ASP 94 Ca 0.14 1.18 0.16 0.00 0.52 0.00 0.00 54.79 56.79 3nmm n ASP 94 Cb 0.42 -1.47 0.77 0.00 -0.72 0.00 0.00 41.12 40.13 3nmm n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3nmm h PRO 95 N 3.34 0.00 -0.03 -0.67 0.11 -1.99 -1.74 132.00 131.02 3nmm h PRO 95 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3nmm h PRO 95 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3nmm h PRO 95 CO 0.69 0.00 0.03 -0.39 -0.21 0.00 0.00 178.00 178.12 3nmm h VAL 96 N 0.00 0.54 0.00 3.15 -1.51 -2.03 -2.71 116.25 113.69 3nmm h VAL 96 Ca 0.11 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.54 3nmm h VAL 96 Cb 0.54 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 3nmm h VAL 96 CO -0.00 0.00 -0.21 0.78 -1.23 0.00 0.00 177.57 176.91 3nmm h ASN 97 N 0.00 0.00 -0.02 4.19 2.35 -1.66 -2.97 115.58 117.47 3nmm h ASN 97 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3nmm h ASN 97 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3nmm h ASN 97 CO -0.00 0.21 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.54 3nmm h PHE 98 N 0.00 0.40 -0.25 1.19 0.04 -1.66 -1.28 116.94 115.38 3nmm h PHE 98 Ca -0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 3nmm h PHE 98 Cb 0.71 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3nmm h PHE 98 CO 0.00 0.54 -0.12 0.87 -0.60 0.00 0.00 178.31 179.00 3nmm h LYS 99 N 0.34 0.42 -0.08 1.51 1.57 -1.69 -0.65 116.57 118.00 3nmm h LYS 99 Ca 0.06 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3nmm h LYS 99 Cb 0.53 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3nmm h LYS 99 CO 0.03 0.55 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.36 3nmm h LEU 100 N 0.39 0.17 -0.68 2.94 3.38 -1.41 -1.31 115.31 118.78 3nmm h LEU 100 Ca 0.08 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3nmm h LEU 100 Cb 0.45 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3nmm h LEU 100 CO 0.03 0.53 0.27 0.25 0.09 0.00 0.00 178.44 179.61 3nmm h LEU 101 N -0.20 0.94 -0.40 1.67 5.85 -1.21 -1.92 115.31 120.04 3nmm h LEU 101 Ca 0.02 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3nmm h LEU 101 Cb 0.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3nmm h LEU 101 CO 0.01 0.86 0.26 0.28 -0.34 0.00 0.00 178.44 179.51 3nmm h SER 102 N 0.97 0.47 -0.58 1.25 0.02 -1.04 0.17 113.55 114.81 3nmm h SER 102 Ca 0.23 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3nmm h SER 102 Cb 0.21 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3nmm h SER 102 CO -0.02 0.35 0.29 -0.74 -1.14 0.00 0.00 176.83 175.57 3nmm h HIS 103 N 0.54 0.53 -0.01 3.45 -0.00 -1.09 -0.17 115.15 118.40 3nmm h HIS 103 Ca 0.15 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 3nmm h HIS 103 Cb -0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3nmm h HIS 103 CO -0.04 0.24 -0.45 0.00 -0.00 0.00 0.00 177.93 177.68 3nmm h LEU 105 N 0.01 0.63 -0.56 0.00 3.38 -0.28 -1.01 115.31 117.48 3nmm h LEU 105 Ca -0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3nmm h LEU 105 Cb 0.80 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3nmm h LEU 105 CO 0.06 0.78 0.34 -0.07 0.09 0.00 0.00 178.44 179.64 3nmm h LEU 106 N 0.45 0.55 -0.58 1.67 3.38 -0.52 -0.93 115.31 119.33 3nmm h LEU 106 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3nmm h LEU 106 Cb 0.47 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3nmm h LEU 106 CO 0.02 0.38 0.30 0.58 0.09 0.00 0.00 178.44 179.82 3nmm h VAL 107 N 0.67 1.20 -0.11 1.22 2.07 -1.00 0.18 116.25 120.48 3nmm h VAL 107 Ca 0.23 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3nmm h VAL 107 Cb 0.03 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3nmm h VAL 107 CO -0.10 0.22 0.07 0.74 0.02 0.00 0.00 177.57 178.52 3nmm h THR 108 N 0.79 1.04 -0.71 2.57 2.02 -0.85 -0.94 112.91 116.83 3nmm h THR 108 Ca 0.20 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3nmm h THR 108 Cb 0.08 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3nmm h THR 108 CO -0.03 0.04 0.45 -0.07 0.37 0.00 0.00 175.52 176.28 3nmm h LEU 109 N 0.14 0.74 -0.75 2.58 3.38 -0.90 -2.43 115.31 118.06 3nmm h LEU 109 Ca 0.04 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3nmm h LEU 109 Cb 0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3nmm h LEU 109 CO -0.01 0.51 0.48 0.00 0.09 0.00 0.00 178.44 179.51 3nmm h ALA 110 N 1.30 0.98 0.00 1.53 0.00 -0.29 0.16 119.26 122.94 3nmm h ALA 110 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3nmm h ALA 110 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3nmm h ALA 110 CO -0.11 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3nmm n ALA 111 N -2.32 1.76 0.12 0.00 0.00 -0.39 -3.10 120.51 116.57 3nmm n ALA 111 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3nmm n ALA 111 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3nmm n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3nmm n HIS 112 N -2.16 0.00 -3.35 0.00 -0.00 -0.66 -4.86 115.22 104.19 3nmm n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 3nmm n HIS 112 Cb 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.17 3nmm n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3nmm n LEU 113 N -0.35 2.77 -0.25 2.41 4.77 -0.05 -4.96 117.00 121.35 3nmm n LEU 113 Ca 0.01 -5.24 -0.02 0.00 -0.03 0.00 0.00 56.01 50.73 3nmm n LEU 113 Cb 0.06 -0.30 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3nmm n LEU 113 CO 0.03 2.07 1.12 -0.65 -1.33 0.00 0.00 177.39 178.63 3nmm h PRO 114 N 4.10 0.77 0.23 3.23 0.11 -1.87 -2.23 132.00 136.33 3nmm h PRO 114 Ca 0.16 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.90 3nmm h PRO 114 Cb 0.72 -0.17 0.03 0.00 0.11 0.00 0.00 31.00 31.69 3nmm h PRO 114 CO 0.73 0.51 -1.47 0.00 -0.21 0.00 0.00 178.00 177.56 3nmm h ALA 115 N 1.34 -0.08 0.00 -0.75 0.00 -1.96 -3.38 119.26 114.43 3nmm h ALA 115 Ca 0.30 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 3nmm h ALA 115 Cb 0.12 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3nmm h ALA 115 CO -0.15 0.73 -0.55 0.93 0.00 0.00 0.00 179.25 180.21 3nmm h GLU 116 N 0.07 0.00 -2.92 0.00 4.39 -1.95 -3.38 114.58 110.79 3nmm h GLU 116 Ca -0.27 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.74 3nmm h GLU 116 Cb 2.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 3nmm h GLU 116 CO 0.24 0.47 3.48 0.34 -1.16 0.00 0.00 179.01 182.38 3nmm n PHE 117 N -3.20 2.48 -1.16 4.33 7.35 -0.85 -4.71 117.46 121.71 3nmm n PHE 117 Ca 0.01 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 3nmm n PHE 117 Cb 0.73 -2.33 0.16 0.00 0.35 0.00 0.00 39.48 38.40 3nmm n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nmm s THR 118 N 1.33 2.29 0.24 -2.13 -4.23 -1.26 -4.76 115.64 107.12 3nmm s THR 118 Ca 0.65 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.20 3nmm s THR 118 Cb 0.18 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.66 3nmm s THR 118 CO -0.07 -0.12 1.83 -0.65 -0.54 0.00 0.00 174.62 175.07 3nmm h PRO 119 N -1.79 0.83 -0.65 3.99 0.11 -1.98 -0.24 132.00 132.26 3nmm h PRO 119 Ca -0.53 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.47 3nmm h PRO 119 Cb 1.31 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3nmm h PRO 119 CO 0.56 0.55 0.16 0.00 -0.21 0.00 0.00 178.00 179.06 3nmm h ALA 120 N 1.41 0.85 -0.37 -0.75 0.00 -1.96 -1.00 119.26 117.45 3nmm h ALA 120 Ca 0.37 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3nmm h ALA 120 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3nmm h ALA 120 CO -0.20 0.56 -0.34 0.28 0.00 0.00 0.00 179.25 179.55 3nmm h VAL 121 N 0.96 1.28 -0.35 0.00 2.07 -1.76 -1.25 116.25 117.20 3nmm h VAL 121 Ca 0.20 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3nmm h VAL 121 Cb 0.35 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3nmm h VAL 121 CO 0.00 0.50 0.23 -0.74 0.02 0.00 0.00 177.57 177.58 3nmm h HIS 122 N 0.70 0.44 -0.75 1.57 6.17 -0.83 0.63 115.15 123.09 3nmm h HIS 122 Ca 0.07 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 3nmm h HIS 122 Cb 0.91 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.65 3nmm h HIS 122 CO 0.05 0.29 0.45 0.00 0.71 0.00 0.00 177.93 179.43 3nmm h ALA 123 N 1.12 0.96 -0.39 5.26 0.00 -0.93 -0.77 119.26 124.51 3nmm h ALA 123 Ca 0.13 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3nmm h ALA 123 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3nmm h ALA 123 CO -0.03 0.43 -0.26 0.77 0.00 0.00 0.00 179.25 180.17 3nmm h SER 124 N 1.03 0.91 -0.51 0.00 0.02 -0.68 -2.03 113.55 112.29 3nmm h SER 124 Ca 0.27 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 3nmm h SER 124 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3nmm h SER 124 CO -0.05 1.15 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.68 3nmm h LEU 125 N 0.69 0.95 -0.61 5.07 3.38 -0.67 0.96 115.31 125.08 3nmm h LEU 125 Ca 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3nmm h LEU 125 Cb 0.84 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3nmm h LEU 125 CO 0.07 1.02 0.38 -0.78 0.09 0.00 0.00 178.44 179.22 3nmm h ASP 126 N 0.88 0.73 -0.65 -0.43 3.58 -0.97 -0.47 116.42 119.08 3nmm h ASP 126 Ca 0.15 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 3nmm h ASP 126 Cb 0.56 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 3nmm h ASP 126 CO 0.03 0.56 0.07 0.11 -2.88 0.00 0.00 179.24 177.14 3nmm h LYS 127 N 0.83 1.10 -0.25 0.28 1.57 -1.01 -1.62 116.57 117.47 3nmm h LYS 127 Ca 0.22 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3nmm h LYS 127 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3nmm h LYS 127 CO -0.04 1.03 0.11 0.35 -0.57 0.00 0.00 179.45 180.33 3nmm h PHE 128 N 1.02 0.37 -0.16 -1.35 3.57 -0.39 -0.70 116.94 119.30 3nmm h PHE 128 Ca 0.19 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3nmm h PHE 128 Cb 0.49 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3nmm h PHE 128 CO 0.04 0.38 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.13 3nmm h LEU 129 N 0.26 0.31 -0.67 0.59 3.38 -1.01 -0.02 115.31 118.14 3nmm h LEU 129 Ca 0.08 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3nmm h LEU 129 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3nmm h LEU 129 CO -0.01 0.60 -0.15 0.00 0.09 0.00 0.00 178.44 178.97 3nmm h ALA 130 N 1.43 0.87 -0.31 1.53 0.00 -1.02 0.04 119.26 121.80 3nmm h ALA 130 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3nmm h ALA 130 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nmm h ALA 130 CO 0.05 0.64 -0.06 1.03 0.00 0.00 0.00 179.25 180.91 3nmm h SER 131 N 0.78 0.58 -0.44 0.00 0.87 -0.44 -0.01 113.55 114.89 3nmm h SER 131 Ca 0.12 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3nmm h SER 131 Cb 0.67 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3nmm h SER 131 CO 0.05 0.79 0.27 0.58 -0.53 0.00 0.00 176.83 177.99 3nmm h VAL 132 N 0.35 1.06 -0.60 2.23 2.07 -0.92 -0.62 116.25 119.83 3nmm h VAL 132 Ca 0.08 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3nmm h VAL 132 Cb 0.53 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3nmm h VAL 132 CO 0.03 0.10 0.33 0.28 0.02 0.00 0.00 177.57 178.33 3nmm h SER 133 N 0.54 0.51 -0.29 0.57 0.02 -0.76 0.24 113.55 114.37 3nmm h SER 133 Ca 0.17 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3nmm h SER 133 Cb -0.01 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3nmm h SER 133 CO -0.07 0.34 0.19 0.74 -1.14 0.00 0.00 176.83 176.90 3nmm h THR 134 N 0.64 1.07 -0.47 -2.27 2.02 -0.55 -1.75 112.91 111.61 3nmm h THR 134 Ca 0.26 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.34 3nmm h THR 134 Cb 0.12 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3nmm h THR 134 CO -0.15 0.07 0.24 0.58 0.37 0.00 0.00 175.52 176.64 3nmm h VAL 135 N 0.39 0.98 0.00 3.16 2.07 -0.64 -1.88 116.25 120.33 3nmm h VAL 135 Ca 0.11 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3nmm h VAL 135 Cb -0.04 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3nmm h VAL 135 CO -0.03 0.09 -0.00 -0.07 0.02 0.00 0.00 177.57 177.58 3nmm h LEU 136 N 0.48 0.00 -1.80 2.57 3.38 -0.54 -2.62 115.31 116.78 3nmm h LEU 136 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3nmm h LEU 136 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3nmm h LEU 136 CO -0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.75 3nmm n THR 137 N -3.09 0.13 0.31 0.22 -2.24 -0.69 -4.49 114.28 104.43 3nmm n THR 137 Ca -0.00 -0.57 0.16 0.00 -2.27 0.00 0.00 64.05 61.37 3nmm n THR 137 Cb 0.26 1.23 0.69 0.00 -2.10 0.00 0.00 70.33 70.42 3nmm n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3nmm h SER 138 N 3.23 0.00 -0.54 3.42 4.64 -0.94 -2.71 113.55 120.65 3nmm h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nmm h SER 138 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3nmm h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3nmm n LYS 139 N -2.81 2.85 0.23 4.77 5.02 -1.26 -4.63 118.16 122.34 3nmm n LYS 139 Ca 0.00 -2.39 0.06 0.00 -2.02 0.00 0.00 58.31 53.97 3nmm n LYS 139 Cb 0.24 -1.45 0.53 0.00 -0.02 0.00 0.00 35.03 34.33 3nmm n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3nmm h TYR 140 N 3.14 0.00 0.00 2.13 0.99 -1.80 -3.46 116.97 117.97 3nmm h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3nmm h TYR 140 Cb 0.90 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.63 3nmm h TYR 140 CO 0.38 0.19 0.00 2.89 -0.00 0.00 0.00 178.16 181.62