#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgq n THR 16 N 0.00 4.56 0.21 3.15 -2.24 -1.26 -4.86 114.28 113.83 3mgq n THR 16 Ca 0.00 -0.48 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 3mgq n THR 16 Cb 0.00 -1.40 0.43 0.00 -2.10 0.00 0.00 70.33 67.26 3mgq n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3mgq h ARG 17 N 0.41 0.00 0.83 -0.78 3.08 -1.98 -1.18 114.38 114.76 3mgq h ARG 17 Ca -0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 3mgq h ARG 17 Cb 1.34 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.40 3mgq h ARG 17 CO 0.52 0.31 -0.40 0.77 -1.07 0.00 0.00 179.97 180.10 3mgq h SER 18 N 0.00 -0.94 -0.84 7.04 0.02 -1.85 -1.12 113.55 115.86 3mgq h SER 18 Ca -0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3mgq h SER 18 Cb 0.73 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 3mgq h SER 18 CO 0.04 -0.62 0.55 0.77 -1.14 0.00 0.00 176.83 176.43 3mgq h SER 19 N -1.20 0.88 0.05 3.07 4.64 -1.67 0.54 113.55 119.86 3mgq h SER 19 Ca -0.11 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3mgq h SER 19 Cb 0.86 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3mgq h SER 19 CO 0.19 0.59 -0.04 -0.09 -0.87 0.00 0.00 176.83 176.61 3mgq h ARG 20 N 1.01 0.00 0.00 4.77 2.43 -1.17 -2.77 114.38 118.66 3mgq h ARG 20 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3mgq h ARG 20 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3mgq h ARG 20 CO -0.11 0.04 -1.00 0.00 -1.51 0.00 0.00 179.97 177.39 3mgq n ALA 21 N -2.47 4.19 -1.05 2.80 0.00 0.81 -4.97 120.51 119.82 3mgq n ALA 21 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3mgq n ALA 21 Cb 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3mgq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgq n GLY 22 N 1.43 1.04 3.19 0.00 0.00 0.15 -5.07 105.19 105.94 3mgq n GLY 22 Ca 0.03 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3mgq n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgq s LEU 23 N -0.35 2.11 0.06 0.99 1.43 -0.07 -4.99 118.68 117.86 3mgq s LEU 23 Ca 0.00 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3mgq s LEU 23 Cb 0.00 -0.85 -0.27 0.00 0.03 0.00 0.00 46.19 45.11 3mgq s LEU 23 CO 0.00 0.15 1.08 1.56 0.23 0.00 0.00 176.35 179.37 3mgq h GLN 24 N 5.25 0.20 -7.01 1.70 1.08 -1.95 -3.34 115.11 111.03 3mgq h GLN 24 Ca -0.39 -0.34 -0.49 0.00 -1.45 0.00 0.00 58.65 55.99 3mgq h GLN 24 Cb 1.16 0.13 0.03 0.00 -0.05 0.00 0.00 27.48 28.75 3mgq h GLN 24 CO 0.46 1.12 0.42 -0.06 -0.95 0.00 0.00 178.83 179.82 3mgq s PHE 25 N -2.65 3.09 -0.55 2.96 0.40 -1.26 -4.95 117.98 115.01 3mgq s PHE 25 Ca -0.04 1.60 -0.28 0.00 -0.60 0.00 0.00 56.93 57.60 3mgq s PHE 25 Cb 0.08 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.46 3mgq s PHE 25 CO 0.86 -0.91 1.26 -1.25 0.70 0.00 0.00 175.22 175.88 3mgq s PRO 26 N -2.77 3.49 0.30 0.24 0.04 -1.26 -4.74 135.00 130.31 3mgq s PRO 26 Ca 0.62 0.40 0.06 0.00 0.04 0.00 0.00 61.00 62.12 3mgq s PRO 26 Cb -0.22 -4.03 0.48 0.00 0.04 0.00 0.00 34.50 30.77 3mgq s PRO 26 CO 0.27 -1.70 1.73 0.28 0.04 0.00 0.00 177.00 177.62 3mgq h VAL 27 N 6.25 1.28 -0.11 -0.36 2.07 -1.90 -2.29 116.25 121.19 3mgq h VAL 27 Ca -0.25 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3mgq h VAL 27 Cb 1.07 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3mgq h VAL 27 CO 1.17 0.42 0.01 1.23 0.02 0.00 0.00 177.57 180.42 3mgq h GLY 28 N 1.12 0.20 0.94 2.17 0.00 -1.95 -0.24 103.07 105.31 3mgq h GLY 28 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3mgq h GLY 28 CO 0.06 0.13 0.33 -0.09 0.00 0.00 0.00 176.54 176.97 3mgq h ARG 29 N -0.06 0.64 -0.42 4.80 2.43 -1.95 -1.50 114.38 118.31 3mgq h ARG 29 Ca 0.03 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3mgq h ARG 29 Cb 0.33 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3mgq h ARG 29 CO 0.00 0.42 -0.15 0.28 -1.51 0.00 0.00 179.97 179.01 3mgq h VAL 30 N 0.66 1.26 -0.30 0.20 2.07 -1.31 0.12 116.25 118.95 3mgq h VAL 30 Ca 0.20 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3mgq h VAL 30 Cb -0.03 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3mgq h VAL 30 CO -0.07 0.42 0.16 -0.74 0.02 0.00 0.00 177.57 177.37 3mgq h HIS 31 N 0.70 0.39 0.10 1.57 -0.00 -0.69 -2.10 115.15 115.12 3mgq h HIS 31 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3mgq h HIS 31 Cb 0.65 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3mgq h HIS 31 CO 0.03 0.27 -0.05 -0.09 -0.00 0.00 0.00 177.93 178.10 3mgq h ARG 32 N 0.41 -0.13 -0.24 5.26 2.43 -0.35 -3.19 114.38 118.57 3mgq h ARG 32 Ca 0.11 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3mgq h ARG 32 Cb 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3mgq h ARG 32 CO -0.02 0.30 0.20 -0.07 -1.51 0.00 0.00 179.97 178.87 3mgq h LEU 33 N -0.95 0.00 -1.15 3.80 3.38 -0.72 0.12 115.31 119.79 3mgq h LEU 33 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3mgq h LEU 33 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3mgq h LEU 33 CO 0.02 0.00 -0.39 -0.07 0.09 0.00 0.00 178.44 178.09 3mgq h LEU 34 N 0.00 0.00 0.03 1.67 3.38 -1.41 -2.47 115.31 116.52 3mgq h LEU 34 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3mgq h LEU 34 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mgq h LEU 34 CO -0.00 0.39 -0.01 0.03 0.09 0.00 0.00 178.44 178.94 3mgq h ARG 35 N 0.00 -0.04 -0.00 1.13 3.08 -0.77 -3.32 114.38 114.46 3mgq h ARG 35 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mgq h ARG 35 Cb 0.77 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3mgq h ARG 35 CO 0.05 0.64 0.02 -0.22 -1.07 0.00 0.00 179.97 179.39 3mgq h LYS 36 N -0.92 0.00 -0.00 0.04 3.64 -1.41 -2.49 116.57 115.42 3mgq h LYS 36 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mgq h LYS 36 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3mgq h LYS 36 CO 0.01 0.00 -0.17 0.41 -2.27 0.00 0.00 179.45 177.43 3mgq n GLY 37 N -1.12 -1.03 3.56 5.01 0.00 -0.93 -4.96 105.19 105.72 3mgq n GLY 37 Ca -0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3mgq n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgq n ASN 38 N -1.08 -5.77 0.00 1.61 5.03 -0.94 -4.93 115.26 109.19 3mgq n ASN 38 Ca 0.12 -0.86 0.06 0.00 0.87 0.00 0.00 54.58 54.77 3mgq n ASN 38 Cb 0.30 -3.66 -0.13 0.00 -1.02 0.00 0.00 39.78 35.27 3mgq n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3mgq n TYR 39 N -3.62 0.31 -3.68 3.10 4.02 -1.26 -5.03 117.16 111.00 3mgq n TYR 39 Ca -0.10 0.10 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 3mgq n TYR 39 Cb 0.59 -0.74 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 3mgq n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgq s ALA 40 N -3.25 -1.77 0.41 -0.72 0.00 -1.26 -5.04 121.76 110.13 3mgq s ALA 40 Ca -0.06 0.41 0.12 0.00 0.00 0.00 0.00 51.96 52.43 3mgq s ALA 40 Cb 0.11 0.54 0.88 0.00 0.00 0.00 0.00 23.12 24.65 3mgq s ALA 40 CO 0.86 -0.96 1.94 1.49 0.00 0.00 0.00 175.76 179.09 3mgq h GLU 41 N 2.00 0.09 -4.07 0.00 4.57 -2.00 -3.44 114.58 111.74 3mgq h GLU 41 Ca -0.24 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.72 3mgq h GLU 41 Cb 1.23 -0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 29.58 3mgq h GLU 41 CO 0.27 0.28 -0.71 1.03 -1.18 0.00 0.00 179.01 178.70 3mgq s ARG 42 N -4.62 0.32 -0.25 1.92 0.52 -1.26 -5.14 118.95 110.44 3mgq s ARG 42 Ca -0.04 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3mgq s ARG 42 Cb 0.15 0.00 0.07 0.00 0.52 0.00 0.00 34.95 35.70 3mgq s ARG 42 CO 0.71 -0.02 -0.00 0.08 0.02 0.00 0.00 175.30 176.09 3mgq s VAL 43 N -1.22 1.26 0.65 3.52 1.01 -1.26 -5.09 120.40 119.27 3mgq s VAL 43 Ca -0.12 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 3mgq s VAL 43 Cb -0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3mgq s VAL 43 CO -0.01 -0.26 1.09 0.61 0.00 0.00 0.00 175.10 176.53 3mgq n GLY 44 N 4.75 -0.03 0.24 4.51 0.00 -1.26 -4.93 105.19 108.47 3mgq n GLY 44 Ca -0.09 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.84 3mgq n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgq h ALA 45 N 0.29 1.22 -0.22 4.61 0.00 -2.03 -2.92 119.26 120.21 3mgq h ALA 45 Ca -0.49 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.04 3mgq h ALA 45 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3mgq h ALA 45 CO 0.50 0.25 -0.64 0.78 0.00 0.00 0.00 179.25 180.15 3mgq h GLY 46 N 1.26 0.86 -0.36 0.00 0.00 -2.01 -3.37 103.07 99.46 3mgq h GLY 46 Ca -0.00 -1.09 0.14 0.00 0.00 0.00 0.00 47.33 46.38 3mgq h GLY 46 CO 0.03 0.97 -0.17 0.00 0.00 0.00 0.00 176.54 177.37 3mgq h ALA 47 N 0.69 0.45 0.00 3.60 0.00 -1.89 0.69 119.26 122.79 3mgq h ALA 47 Ca -0.01 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3mgq h ALA 47 Cb 1.25 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3mgq h ALA 47 CO 0.13 -0.42 -0.32 -1.00 0.00 0.00 0.00 179.25 177.64 3mgq h PRO 48 N -0.00 0.00 0.03 0.00 0.13 -1.72 -1.30 132.00 129.14 3mgq h PRO 48 Ca 0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3mgq h PRO 48 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3mgq h PRO 48 CO -0.70 0.32 -0.01 0.28 -0.23 0.00 0.00 178.00 177.66 3mgq h VAL 49 N 0.00 1.14 -0.84 1.56 2.07 -1.09 0.76 116.25 119.86 3mgq h VAL 49 Ca -0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3mgq h VAL 49 Cb 0.59 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3mgq h VAL 49 CO 0.04 0.13 0.50 0.22 0.02 0.00 0.00 177.57 178.48 3mgq h TYR 50 N -0.26 1.11 -0.15 1.57 -0.00 -0.94 -2.39 116.97 115.91 3mgq h TYR 50 Ca -0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.60 3mgq h TYR 50 Cb 0.25 -0.36 0.00 0.00 -0.00 0.00 0.00 36.73 36.62 3mgq h TYR 50 CO 0.00 0.75 -0.35 1.25 -0.00 0.00 0.00 178.16 179.81 3mgq h LEU 51 N 1.15 0.56 -1.47 2.82 5.85 -1.05 0.11 115.31 123.29 3mgq h LEU 51 Ca 0.30 -0.57 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3mgq h LEU 51 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3mgq h LEU 51 CO -0.05 1.03 0.45 0.00 -0.34 0.00 0.00 178.44 179.53 3mgq h ALA 52 N 0.55 1.82 0.22 1.25 0.00 -0.83 0.75 119.26 123.01 3mgq h ALA 52 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3mgq h ALA 52 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3mgq h ALA 52 CO 0.08 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.28 3mgq h ALA 53 N 1.64 -0.29 -0.64 0.00 0.00 -1.02 -0.96 119.26 117.99 3mgq h ALA 53 Ca 0.30 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3mgq h ALA 53 Cb 0.37 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3mgq h ALA 53 CO -0.10 -0.44 0.23 0.28 0.00 0.00 0.00 179.25 179.21 3mgq h VAL 54 N -0.74 0.73 -0.98 0.00 2.07 -0.64 0.31 116.25 117.00 3mgq h VAL 54 Ca -0.03 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3mgq h VAL 54 Cb 0.50 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3mgq h VAL 54 CO 0.05 0.07 0.65 -0.07 0.02 0.00 0.00 177.57 178.29 3mgq h LEU 55 N 0.40 1.13 -0.32 2.57 3.38 -0.80 -1.54 115.31 120.12 3mgq h LEU 55 Ca 0.33 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 3mgq h LEU 55 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3mgq h LEU 55 CO -0.34 0.82 -0.63 -0.08 0.09 0.00 0.00 178.44 178.30 3mgq h GLU 56 N 1.33 0.74 -0.19 1.13 4.81 -0.18 -2.10 114.58 120.12 3mgq h GLU 56 Ca 0.36 -0.52 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3mgq h GLU 56 Cb -0.15 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3mgq h GLU 56 CO -0.08 1.14 0.03 -0.92 -0.73 0.00 0.00 179.01 178.45 3mgq h TYR 57 N 0.54 0.05 -0.37 0.92 3.20 0.34 -0.72 116.97 120.92 3mgq h TYR 57 Ca -0.01 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3mgq h TYR 57 Cb 1.23 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3mgq h TYR 57 CO 0.07 0.01 0.01 -0.07 -1.64 0.00 0.00 178.16 176.54 3mgq h LEU 58 N 0.10 0.63 -1.09 2.82 3.38 -1.29 -0.04 115.31 119.82 3mgq h LEU 58 Ca 0.08 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.88 3mgq h LEU 58 Cb 0.08 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3mgq h LEU 58 CO -0.12 0.78 0.61 0.74 0.09 0.00 0.00 178.44 180.54 3mgq h THR 59 N 0.47 0.91 -0.28 0.22 2.02 -1.31 -1.26 112.91 113.68 3mgq h THR 59 Ca 0.11 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 3mgq h THR 59 Cb 0.45 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3mgq h THR 59 CO 0.02 0.17 -0.15 0.00 0.37 0.00 0.00 175.52 175.92 3mgq h ALA 60 N 1.56 0.40 -0.47 6.16 0.00 -0.17 -0.57 119.26 126.16 3mgq h ALA 60 Ca 0.48 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3mgq h ALA 60 Cb 0.53 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3mgq h ALA 60 CO -0.24 0.29 0.18 1.49 0.00 0.00 0.00 179.25 180.97 3mgq h GLU 61 N 0.34 0.35 -0.01 0.00 4.57 -0.69 0.45 114.58 119.60 3mgq h GLU 61 Ca 0.06 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 57.97 3mgq h GLU 61 Cb 0.67 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 29.20 3mgq h GLU 61 CO 0.04 0.23 -0.99 0.97 -1.18 0.00 0.00 179.01 178.09 3mgq h ILE 62 N 0.36 1.29 -0.90 2.32 2.10 -1.09 -2.70 117.51 118.90 3mgq h ILE 62 Ca 0.22 -2.21 0.00 0.00 1.08 0.00 0.00 64.86 63.94 3mgq h ILE 62 Cb 0.20 2.39 -0.04 0.00 -1.09 0.00 0.00 36.82 38.27 3mgq h ILE 62 CO -0.21 0.68 0.56 -0.07 -1.08 0.00 0.00 178.15 178.04 3mgq h LEU 63 N 0.35 1.06 -0.03 2.19 3.38 -1.07 0.47 115.31 121.66 3mgq h LEU 63 Ca -0.12 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3mgq h LEU 63 Cb 1.65 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 3mgq h LEU 63 CO 0.19 0.80 -0.36 -0.08 0.09 0.00 0.00 178.44 179.08 3mgq h GLU 64 N 1.23 -0.47 -0.10 1.13 4.57 -0.79 0.69 114.58 120.84 3mgq h GLU 64 Ca 0.33 0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.36 3mgq h GLU 64 Cb -0.09 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3mgq h GLU 64 CO -0.06 -0.32 -0.69 -0.07 -1.18 0.00 0.00 179.01 176.69 3mgq h LEU 65 N -0.49 0.52 -0.24 1.64 3.38 -1.12 -2.78 115.31 116.21 3mgq h LEU 65 Ca 0.07 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3mgq h LEU 65 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3mgq h LEU 65 CO -0.31 1.05 0.03 0.00 0.09 0.00 0.00 178.44 179.30 3mgq h ALA 66 N 0.94 0.32 -0.95 1.53 0.00 0.13 -1.75 119.26 119.48 3mgq h ALA 66 Ca -0.02 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 54.94 3mgq h ALA 66 Cb 1.25 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3mgq h ALA 66 CO 0.12 0.02 0.48 0.78 0.00 0.00 0.00 179.25 180.64 3mgq h GLY 67 N 0.21 1.74 1.33 0.00 0.00 -0.83 0.38 103.07 105.90 3mgq h GLY 67 Ca 0.07 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 3mgq h GLY 67 CO 0.01 -0.31 -0.38 3.43 0.00 0.00 0.00 176.54 179.29 3mgq h ASN 68 N 0.43 0.79 -0.61 0.19 2.35 -1.18 -1.60 115.58 115.95 3mgq h ASN 68 Ca 0.62 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3mgq h ASN 68 Cb 1.23 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3mgq h ASN 68 CO -0.54 1.08 0.08 0.00 -1.65 0.00 0.00 177.43 176.40 3mgq h ALA 69 N 0.96 0.81 -0.38 -0.83 0.00 -0.11 0.56 119.26 120.26 3mgq h ALA 69 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3mgq h ALA 69 Cb 0.92 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3mgq h ALA 69 CO 0.08 0.59 0.19 0.00 0.00 0.00 0.00 179.25 180.11 3mgq h ALA 70 N 1.01 0.47 -0.13 0.00 0.00 -1.06 -2.02 119.26 117.54 3mgq h ALA 70 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3mgq h ALA 70 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3mgq h ALA 70 CO 0.02 -0.18 0.07 -0.09 0.00 0.00 0.00 179.25 179.07 3mgq h ARG 71 N 0.39 0.18 0.00 0.00 2.43 -0.67 0.49 114.38 117.19 3mgq h ARG 71 Ca 0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3mgq h ARG 71 Cb 0.07 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3mgq h ARG 71 CO -0.12 0.19 0.09 -0.44 -1.51 0.00 0.00 179.97 178.18 3mgq h ASP 72 N 0.12 0.00 -0.21 -3.80 3.32 0.37 -1.51 116.42 114.71 3mgq h ASP 72 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3mgq h ASP 72 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3mgq h ASP 72 CO -0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.10 3mgq n ASN 73 N -2.50 3.59 -3.52 6.45 3.02 -0.69 -4.96 115.26 116.64 3mgq n ASN 73 Ca -0.02 -3.03 -0.26 0.00 -0.03 0.00 0.00 54.58 51.24 3mgq n ASN 73 Cb 0.13 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3mgq n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgq n LYS 74 N -0.69 -3.75 -4.36 3.52 5.02 -0.57 -4.97 118.16 112.35 3mgq n LYS 74 Ca 0.20 0.51 -0.26 0.00 -2.02 0.00 0.00 58.31 56.74 3mgq n LYS 74 Cb 0.84 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 30.50 3mgq n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mgq s LYS 75 N -6.18 1.83 0.00 1.97 -0.14 0.08 -5.03 119.74 112.28 3mgq s LYS 75 Ca 0.47 -1.43 0.06 0.00 -1.36 0.00 0.00 55.97 53.72 3mgq s LYS 75 Cb -0.25 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 3mgq s LYS 75 CO 0.58 0.40 0.34 0.25 -0.76 0.00 0.00 175.35 176.17 3mgq n THR 76 N -0.02 0.00 -4.28 2.17 -2.24 -1.26 -3.55 114.28 105.10 3mgq n THR 76 Ca -0.10 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 3mgq n THR 76 Cb 0.56 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.68 3mgq n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3mgq s ARG 77 N -1.45 3.48 -0.04 -0.78 3.52 -1.26 -5.05 118.95 117.37 3mgq s ARG 77 Ca 0.03 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.73 3mgq s ARG 77 Cb 0.05 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 3mgq s ARG 77 CO 0.24 0.04 1.31 0.42 -0.81 0.00 0.00 175.30 176.50 3mgq s ILE 78 N 0.85 3.99 0.34 4.11 1.01 -1.26 -4.95 121.20 125.29 3mgq s ILE 78 Ca -0.02 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.06 3mgq s ILE 78 Cb -0.15 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3mgq s ILE 78 CO 0.01 -0.01 -0.00 0.27 0.00 0.00 0.00 174.94 175.21 3mgq s ILE 79 N 2.42 2.53 0.56 2.92 -4.36 -1.26 -5.02 121.20 118.99 3mgq s ILE 79 Ca 0.60 -2.01 0.26 0.00 -0.26 0.00 0.00 60.65 59.24 3mgq s ILE 79 Cb -0.28 -2.78 0.37 0.00 1.25 0.00 0.00 42.46 41.02 3mgq s ILE 79 CO 0.24 -0.19 2.05 -0.65 0.24 0.00 0.00 174.94 176.62 3mgq h PRO 80 N 1.84 0.00 -0.69 0.37 0.11 -1.89 0.50 132.00 132.24 3mgq h PRO 80 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 3mgq h PRO 80 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3mgq h PRO 80 CO 0.68 0.00 0.46 -0.09 -0.21 0.00 0.00 178.00 178.84 3mgq h ARG 81 N 0.00 0.75 -0.20 1.05 9.65 -1.81 -1.82 114.38 122.00 3mgq h ARG 81 Ca 0.15 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.80 3mgq h ARG 81 Cb 0.70 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3mgq h ARG 81 CO -0.00 0.50 -0.60 0.45 2.80 0.00 0.00 179.97 183.11 3mgq h HIS 82 N 0.77 0.86 -0.40 2.20 3.86 -0.33 -1.03 115.15 121.09 3mgq h HIS 82 Ca 0.29 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 3mgq h HIS 82 Cb 0.16 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3mgq h HIS 82 CO -0.00 1.11 0.05 -0.07 0.86 0.00 0.00 177.93 179.88 3mgq h LEU 83 N 0.51 0.57 -0.02 2.43 3.38 -1.34 -1.35 115.31 119.48 3mgq h LEU 83 Ca -0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3mgq h LEU 83 Cb 1.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3mgq h LEU 83 CO 0.12 0.60 -0.23 -0.61 0.09 0.00 0.00 178.44 178.41 3mgq h GLN 84 N 0.59 0.19 -0.96 1.13 5.75 -0.96 0.20 115.11 121.05 3mgq h GLN 84 Ca 0.13 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 3mgq h GLN 84 Cb 0.29 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.82 3mgq h GLN 84 CO 0.00 0.88 0.62 -0.07 -2.65 0.00 0.00 178.83 177.61 3mgq h LEU 85 N -0.43 0.98 0.38 -2.39 3.38 -1.21 0.12 115.31 116.14 3mgq h LEU 85 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3mgq h LEU 85 Cb 0.95 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3mgq h LEU 85 CO 0.05 0.63 -0.18 0.00 0.09 0.00 0.00 178.44 179.02 3mgq h ALA 86 N 1.44 -0.51 0.03 1.53 0.00 -0.94 -0.87 119.26 119.95 3mgq h ALA 86 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3mgq h ALA 86 Cb 0.17 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mgq h ALA 86 CO -0.17 -0.75 -0.02 0.28 0.00 0.00 0.00 179.25 178.59 3mgq h VAL 87 N -0.57 1.00 0.00 0.00 2.07 -0.44 -3.02 116.25 115.29 3mgq h VAL 87 Ca -0.05 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3mgq h VAL 87 Cb 0.43 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3mgq h VAL 87 CO 0.08 0.02 0.00 0.03 0.02 0.00 0.00 177.57 177.73 3mgq h ARG 88 N -0.08 0.00 0.00 1.57 2.47 -0.75 -2.47 114.38 115.12 3mgq h ARG 88 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3mgq h ARG 88 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3mgq h ARG 88 CO 0.01 0.00 -0.46 0.09 0.56 0.00 0.00 179.97 180.16 3mgq n ASN 89 N -2.93 0.54 -4.41 7.04 3.02 -0.33 -4.77 115.26 113.42 3mgq n ASN 89 Ca 0.02 0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 3mgq n ASN 89 Cb 0.38 0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.48 3mgq n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgq s ASP 90 N -3.62 5.41 0.49 6.41 2.15 -0.96 -4.98 116.67 121.57 3mgq s ASP 90 Ca 0.09 -0.58 0.24 0.00 0.43 0.00 0.00 52.55 52.73 3mgq s ASP 90 Cb 0.16 -1.96 1.29 0.00 -0.30 0.00 0.00 42.92 42.10 3mgq s ASP 90 CO 0.68 -0.19 1.91 -0.08 -0.17 0.00 0.00 175.17 177.32 3mgq h GLU 91 N 8.31 0.17 0.06 4.34 4.81 -1.86 0.06 114.58 130.47 3mgq h GLU 91 Ca -0.32 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.54 3mgq h GLU 91 Cb 1.14 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3mgq h GLU 91 CO 0.61 0.11 -2.15 0.39 -0.73 0.00 0.00 179.01 177.24 3mgq n GLU 92 N -4.39 0.70 -0.13 1.92 1.02 -1.26 -2.97 120.64 115.52 3mgq n GLU 92 Ca 0.16 0.20 -0.10 0.00 -0.02 0.00 0.00 57.16 57.40 3mgq n GLU 92 Cb 0.74 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 3mgq n GLU 92 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3mgq h LEU 93 N 0.03 0.63 -0.68 -4.62 3.38 -1.77 -1.16 115.31 111.12 3mgq h LEU 93 Ca -0.47 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.37 3mgq h LEU 93 Cb 2.01 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 3mgq h LEU 93 CO 0.02 0.74 0.03 -1.13 0.09 0.00 0.00 178.44 178.20 3mgq h ASN 94 N 0.49 -0.24 -0.22 -0.43 -1.24 -0.61 -0.42 115.58 112.91 3mgq h ASN 94 Ca 0.12 0.16 -0.16 0.00 0.71 0.00 0.00 56.30 57.13 3mgq h ASN 94 Cb 0.39 0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3mgq h ASN 94 CO 0.01 -0.12 -0.49 0.50 -1.29 0.00 0.00 177.43 176.05 3mgq h LYS 95 N 0.14 0.71 -0.19 6.67 3.64 -1.42 -1.17 116.57 124.96 3mgq h LYS 95 Ca 0.36 -0.48 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3mgq h LYS 95 Cb 0.61 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3mgq h LYS 95 CO -0.56 1.10 0.14 1.25 -2.27 0.00 0.00 179.45 179.11 3mgq h LEU 96 N 0.43 0.00 -3.29 5.20 5.85 -0.36 -1.64 115.31 121.50 3mgq h LEU 96 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3mgq h LEU 96 Cb 1.10 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 3mgq h LEU 96 CO 0.11 0.00 -0.50 0.18 -0.34 0.00 0.00 178.44 177.89 3mgq n LEU 97 N -4.35 3.66 0.22 2.25 4.77 -0.25 -4.76 117.00 118.55 3mgq n LEU 97 Ca 0.01 -4.14 0.09 0.00 -0.03 0.00 0.00 56.01 51.95 3mgq n LEU 97 Cb 0.28 -0.50 0.47 0.00 -2.33 0.00 0.00 43.42 41.34 3mgq n LEU 97 CO 0.34 1.59 0.80 1.23 -1.33 0.00 0.00 177.39 180.02 3mgq h GLY 98 N 1.36 0.00 -3.60 -0.72 0.00 -0.20 -2.71 103.07 97.20 3mgq h GLY 98 Ca 0.15 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.94 3mgq h GLY 98 CO 0.31 0.00 -0.05 0.54 0.00 0.00 0.00 176.54 177.34 3mgq n ARG 99 N -3.47 2.98 -4.49 4.80 5.12 -1.26 -5.00 116.66 115.33 3mgq n ARG 99 Ca -0.00 -3.67 -0.21 0.00 -1.93 0.00 0.00 57.85 52.04 3mgq n ARG 99 Cb 0.42 -2.21 -0.15 0.00 -1.16 0.00 0.00 32.46 29.35 3mgq n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mgq s VAL 100 N -4.45 0.89 -0.17 1.55 1.01 -1.02 -5.12 120.40 113.09 3mgq s VAL 100 Ca 0.55 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3mgq s VAL 100 Cb 0.45 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3mgq s VAL 100 CO 0.02 0.26 -0.07 -0.89 0.00 0.00 0.00 175.10 174.42 3mgq s THR 101 N -0.15 3.47 -0.45 3.92 2.01 -1.26 -5.04 115.64 118.14 3mgq s THR 101 Ca 0.02 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 3mgq s THR 101 Cb -0.06 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 69.97 3mgq s THR 101 CO -0.00 0.48 0.51 -0.63 -0.69 0.00 0.00 174.62 174.29 3mgq s ILE 102 N 0.70 5.01 0.43 1.82 1.01 -1.26 -5.04 121.20 123.87 3mgq s ILE 102 Ca -0.03 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 3mgq s ILE 102 Cb -0.15 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 3mgq s ILE 102 CO 0.02 -0.56 0.78 0.00 0.00 0.00 0.00 174.94 175.19 3mgq n ALA 103 N 5.80 -0.66 -1.49 9.38 0.00 -1.26 -1.29 120.51 130.99 3mgq n ALA 103 Ca -0.07 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 3mgq n ALA 103 Cb 0.47 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 3mgq n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3mgq n GLN 104 N 0.30 -1.37 0.16 0.00 1.13 -1.26 -4.81 117.38 111.53 3mgq n GLN 104 Ca 0.11 0.88 0.12 0.00 -1.94 0.00 0.00 57.00 56.17 3mgq n GLN 104 Cb 0.39 -5.18 0.11 0.00 0.11 0.00 0.00 30.24 25.68 3mgq n GLN 104 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3mgq h GLY 105 N 0.00 0.00 0.00 1.08 0.00 -1.42 -3.30 103.07 99.44 3mgq h GLY 105 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3mgq h GLY 105 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 3mgq n GLY 106 N 1.16 0.71 3.45 4.60 0.00 -1.26 -4.59 105.19 109.26 3mgq n GLY 106 Ca 0.02 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 3mgq n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mgq s VAL 107 N 0.00 1.06 0.09 1.61 -7.23 -1.26 -5.03 120.40 109.64 3mgq s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3mgq s VAL 107 Cb 0.00 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 3mgq s VAL 107 CO 0.00 0.00 1.01 -0.76 -0.31 0.00 0.00 175.10 175.04 3mgq s LEU 108 N -3.49 4.45 -0.14 1.32 1.43 -1.26 -4.98 118.68 116.00 3mgq s LEU 108 Ca 0.35 1.83 -0.35 0.00 -1.03 0.00 0.00 54.13 54.93 3mgq s LEU 108 Cb 0.08 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 3mgq s LEU 108 CO 0.15 -0.19 1.92 -2.65 0.23 0.00 0.00 176.35 175.81 3mgq n PRO 109 N 3.14 1.96 -3.29 1.29 -0.02 -1.26 -4.93 135.00 131.89 3mgq n PRO 109 Ca 0.04 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 3mgq n PRO 109 Cb 0.49 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 3mgq n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3mgq s ASN 110 N 4.56 -1.18 -0.14 2.55 2.47 -1.26 -5.15 114.94 116.80 3mgq s ASN 110 Ca 0.95 0.98 -0.01 0.00 0.42 0.00 0.00 52.86 55.21 3mgq s ASN 110 Cb -0.73 2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 41.14 3mgq s ASN 110 CO 0.52 -0.22 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.93 3mgq s ILE 111 N 2.85 3.09 0.19 -5.21 1.01 -1.26 -5.10 121.20 116.78 3mgq s ILE 111 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 3mgq s ILE 111 Cb -0.13 -2.31 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 3mgq s ILE 111 CO -0.19 0.52 1.26 -1.10 0.00 0.00 0.00 174.94 175.43 3mgq s GLN 112 N 0.46 4.43 0.20 2.79 -1.52 -1.26 -4.92 119.66 119.84 3mgq s GLN 112 Ca -0.09 1.97 -0.23 0.00 -1.95 0.00 0.00 55.36 55.07 3mgq s GLN 112 Cb -0.16 -3.22 0.11 0.00 -0.22 0.00 0.00 33.01 29.53 3mgq s GLN 112 CO 0.04 -0.19 1.53 0.43 -0.25 0.00 0.00 175.29 176.85 3mgq n SER 113 N 2.65 -0.81 -0.02 5.90 7.64 -1.26 -1.31 113.62 126.41 3mgq n SER 113 Ca 0.06 1.74 0.24 0.00 1.01 0.00 0.00 58.87 61.91 3mgq n SER 113 Cb 0.44 -0.33 0.70 0.00 -1.01 0.00 0.00 64.21 64.00 3mgq n SER 113 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3mgq h VAL 114 N 0.00 0.33 0.00 0.44 -1.51 -2.03 0.21 116.25 113.70 3mgq h VAL 114 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 3mgq h VAL 114 Cb 0.52 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3mgq h VAL 114 CO -0.96 0.00 -0.06 0.18 -1.23 0.00 0.00 177.57 175.50 3mgq n LEU 115 N -3.72 0.64 -4.78 4.19 4.77 -0.42 -4.81 117.00 112.85 3mgq n LEU 115 Ca 0.13 0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 56.28 3mgq n LEU 115 Cb 0.86 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3mgq n LEU 115 CO 0.29 -0.13 0.76 -0.76 -1.33 0.00 0.00 177.39 176.22 3mgq s LEU 116 N -4.17 3.82 0.43 2.23 1.43 0.06 -5.05 118.68 117.43 3mgq s LEU 116 Ca 0.11 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.10 3mgq s LEU 116 Cb 0.14 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 3mgq s LEU 116 CO 0.59 -1.00 0.93 -2.16 0.23 0.00 0.00 176.35 174.94 3mgq s PRO 117 N -3.19 4.18 0.00 1.29 0.04 -1.26 -5.07 135.00 130.99 3mgq s PRO 117 Ca 0.69 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3mgq s PRO 117 Cb -0.21 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3mgq s PRO 117 CO 0.25 -0.03 0.00 1.63 0.04 0.00 0.00 177.00 178.88 3mgq n LYS 118 N -0.71 0.00 -0.40 4.56 4.76 -1.26 -5.17 118.16 119.94 3mgq n LYS 118 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3mgq n LYS 118 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 3mgq n LYS 118 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20