#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp n ARG 17 N 0.00 0.15 0.00 1.64 3.00 -1.26 -4.94 116.66 115.25 3mgp n ARG 17 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 3mgp n ARG 17 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 30.87 3mgp n ARG 17 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3mgp n HIS 18 N 5.10 0.00 -2.85 -1.55 -0.00 -1.26 -5.03 115.22 109.64 3mgp n HIS 18 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.07 3mgp n HIS 18 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.95 3mgp n HIS 18 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3mgp n ARG 19 N 0.00 -2.77 -3.99 1.57 0.63 -1.26 -5.04 116.66 105.81 3mgp n ARG 19 Ca 0.00 2.31 -0.23 0.00 -0.92 0.00 0.00 57.85 59.00 3mgp n ARG 19 Cb 0.00 -3.70 -0.03 0.00 0.45 0.00 0.00 32.46 29.18 3mgp n ARG 19 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3mgp s LYS 20 N -1.02 3.34 -0.00 -0.14 2.36 -1.26 -5.07 119.74 117.94 3mgp s LYS 20 Ca -0.07 -0.74 -0.30 0.00 -2.55 0.00 0.00 55.97 52.31 3mgp s LYS 20 Cb 0.00 -2.86 -0.03 0.00 -1.05 0.00 0.00 37.83 33.89 3mgp s LYS 20 CO 0.51 0.47 0.99 0.08 1.55 0.00 0.00 175.35 178.94 3mgp s VAL 21 N -1.89 4.82 -0.27 4.02 1.01 -1.26 -5.02 120.40 121.82 3mgp s VAL 21 Ca 0.34 2.03 -0.11 0.00 0.00 0.00 0.00 61.98 64.24 3mgp s VAL 21 Cb -0.10 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3mgp s VAL 21 CO 0.28 0.15 0.17 -0.76 0.00 0.00 0.00 175.10 174.94 3mgp s LEU 22 N 1.05 4.02 -0.01 3.92 1.43 -1.26 -5.07 118.68 122.76 3mgp s LEU 22 Ca 0.52 0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 3mgp s LEU 22 Cb -0.21 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 43.96 3mgp s LEU 22 CO 0.28 -0.01 0.57 0.00 0.23 0.00 0.00 176.35 177.42 3mgp s ARG 23 N 1.53 0.99 -0.96 1.70 1.70 -1.26 -4.95 118.95 117.71 3mgp s ARG 23 Ca 0.07 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 3mgp s ARG 23 Cb -0.15 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 3mgp s ARG 23 CO 0.09 -0.32 0.00 -3.47 -1.08 0.00 0.00 175.30 170.51 3mgp n ASP 24 N 0.80 -5.73 0.34 -2.89 2.03 -1.26 -4.88 116.55 104.96 3mgp n ASP 24 Ca -0.19 0.22 0.23 0.00 0.52 0.00 0.00 54.79 55.57 3mgp n ASP 24 Cb 0.58 -4.03 1.21 0.00 -0.72 0.00 0.00 41.12 38.16 3mgp n ASP 24 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3mgp h ASN 25 N 0.00 0.00 0.00 1.67 2.35 -2.01 -1.85 115.58 115.74 3mgp h ASN 25 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3mgp h ASN 25 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3mgp h ASN 25 CO 0.27 0.00 0.09 0.00 -1.65 0.00 0.00 177.43 176.15 3mgp n ILE 26 N -3.08 0.99 1.10 2.81 0.13 -1.26 -1.16 119.36 118.89 3mgp n ILE 26 Ca -0.03 0.71 0.12 0.00 -1.10 0.00 0.00 62.75 62.46 3mgp n ILE 26 Cb 0.08 -1.71 0.16 0.00 -0.84 0.00 0.00 39.64 37.32 3mgp n ILE 26 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3mgp n GLN 27 N -2.11 1.75 0.18 9.51 1.13 -0.70 -3.11 117.38 124.04 3mgp n GLN 27 Ca -0.01 -1.36 0.14 0.00 -1.94 0.00 0.00 57.00 53.82 3mgp n GLN 27 Cb 0.12 -1.47 0.45 0.00 0.11 0.00 0.00 30.24 29.44 3mgp n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3mgp h GLY 28 N 4.79 0.00 -7.57 1.08 0.00 -1.32 -3.37 103.07 96.69 3mgp h GLY 28 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 3mgp h GLY 28 CO 0.00 0.00 1.85 -0.42 0.00 0.00 0.00 176.54 177.97 3mgp s ILE 29 N -3.32 4.13 0.88 2.60 -1.09 -1.18 -4.97 121.20 118.25 3mgp s ILE 29 Ca 0.06 -1.54 -0.11 0.00 -2.23 0.00 0.00 60.65 56.83 3mgp s ILE 29 Cb 0.09 -5.12 0.12 0.00 -1.58 0.00 0.00 42.46 35.98 3mgp s ILE 29 CO 0.54 -1.95 1.10 0.42 -1.23 0.00 0.00 174.94 173.82 3mgp s THR 30 N 4.26 2.70 0.19 2.92 -4.23 -1.26 -4.85 115.64 115.38 3mgp s THR 30 Ca 0.50 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.12 3mgp s THR 30 Cb 0.02 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.39 3mgp s THR 30 CO 0.00 -0.30 1.80 0.50 -0.54 0.00 0.00 174.62 176.08 3mgp h LYS 31 N -1.57 0.91 -0.37 3.99 3.64 -1.93 -2.50 116.57 118.74 3mgp h LYS 31 Ca -0.47 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.78 3mgp h LYS 31 Cb 1.27 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3mgp h LYS 31 CO 0.50 0.70 0.18 -1.35 -2.27 0.00 0.00 179.45 177.21 3mgp h PRO 32 N 0.89 0.51 -0.29 1.90 0.11 -1.99 -2.05 132.00 131.09 3mgp h PRO 32 Ca 0.23 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.11 3mgp h PRO 32 Cb 0.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3mgp h PRO 32 CO -0.04 0.40 -0.51 0.00 -0.21 0.00 0.00 178.00 177.65 3mgp h ALA 33 N 1.68 0.56 -0.45 -0.75 0.00 -1.87 -2.26 119.26 116.17 3mgp h ALA 33 Ca 0.13 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3mgp h ALA 33 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mgp h ALA 33 CO -0.02 0.68 -0.10 0.82 0.00 0.00 0.00 179.25 180.63 3mgp h ILE 34 N 0.63 1.26 -0.84 0.00 2.04 -1.38 -2.61 117.51 116.61 3mgp h ILE 34 Ca 0.02 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 3mgp h ILE 34 Cb 1.09 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3mgp h ILE 34 CO 0.11 0.40 0.39 -0.09 0.00 0.00 0.00 178.15 178.96 3mgp h ARG 35 N 0.74 1.22 -0.56 2.37 2.43 -1.27 -1.68 114.38 117.64 3mgp h ARG 35 Ca 0.12 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3mgp h ARG 35 Cb 0.59 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3mgp h ARG 35 CO 0.04 0.95 0.06 0.00 -1.51 0.00 0.00 179.97 179.51 3mgp h ARG 36 N 1.21 0.94 -0.38 0.20 3.08 -1.31 -1.55 114.38 116.57 3mgp h ARG 36 Ca 0.29 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3mgp h ARG 36 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3mgp h ARG 36 CO -0.03 0.92 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.65 3mgp h LEU 37 N 0.83 0.61 -0.61 3.04 3.38 -1.29 -2.19 115.31 119.07 3mgp h LEU 37 Ca 0.17 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3mgp h LEU 37 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3mgp h LEU 37 CO 0.02 0.73 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 3mgp h ALA 38 N 1.34 0.83 0.71 1.53 0.00 -0.99 -1.95 119.26 120.73 3mgp h ALA 38 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mgp h ALA 38 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mgp h ALA 38 CO 0.03 0.67 -0.43 0.00 0.00 0.00 0.00 179.25 179.52 3mgp h ARG 39 N 0.98 -1.04 -1.12 0.00 2.47 -1.08 0.22 114.38 114.81 3mgp h ARG 39 Ca 0.17 0.07 0.31 0.00 -1.26 0.00 0.00 59.98 59.27 3mgp h ARG 39 Cb 0.58 0.24 -0.10 0.00 -1.65 0.00 0.00 29.97 29.04 3mgp h ARG 39 CO 0.03 -0.69 0.73 -0.09 0.56 0.00 0.00 179.97 180.51 3mgp h ARG 40 N -1.08 0.27 -0.10 0.04 2.43 -1.42 0.42 114.38 114.94 3mgp h ARG 40 Ca -0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3mgp h ARG 40 Cb 0.87 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3mgp h ARG 40 CO 0.10 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3mgp n GLY 41 N -1.52 -0.16 1.62 2.80 0.00 -0.73 -4.91 105.19 102.29 3mgp n GLY 41 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3mgp n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgp n GLY 42 N 1.03 0.51 3.75 -0.02 0.00 0.15 -5.03 105.19 105.57 3mgp n GLY 42 Ca 0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3mgp n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgp s VAL 43 N -2.00 4.90 -0.23 1.61 1.01 0.63 -4.97 120.40 121.36 3mgp s VAL 43 Ca 0.00 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.41 3mgp s VAL 43 Cb 0.00 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 32.20 3mgp s VAL 43 CO 0.00 0.38 -0.08 1.17 0.00 0.00 0.00 175.10 176.57 3mgp n LYS 44 N 2.93 0.69 -3.93 2.72 4.81 -1.26 -4.26 118.16 119.85 3mgp n LYS 44 Ca -0.05 0.07 -0.14 0.00 -0.87 0.00 0.00 58.31 57.32 3mgp n LYS 44 Cb 0.51 -1.51 -0.15 0.00 0.02 0.00 0.00 35.03 33.90 3mgp n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3mgp s ARG 45 N -2.50 0.14 -0.13 1.64 3.52 -1.26 -5.13 118.95 115.23 3mgp s ARG 45 Ca -0.22 -0.00 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 3mgp s ARG 45 Cb 0.07 -0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 3mgp s ARG 45 CO 0.70 -0.02 -0.09 0.42 -0.81 0.00 0.00 175.30 175.51 3mgp s ILE 46 N 0.28 1.17 0.43 4.11 1.01 -1.26 -5.13 121.20 121.80 3mgp s ILE 46 Ca -0.02 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 3mgp s ILE 46 Cb -0.04 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 41.16 3mgp s ILE 46 CO -0.01 0.35 1.13 -0.94 0.00 0.00 0.00 174.94 175.47 3mgp s SER 47 N 1.64 6.40 0.65 3.58 1.04 -1.26 -4.91 113.70 120.85 3mgp s SER 47 Ca 0.04 2.22 0.31 0.00 0.48 0.00 0.00 55.95 59.00 3mgp s SER 47 Cb -0.13 -2.60 1.66 0.00 0.10 0.00 0.00 66.02 65.05 3mgp s SER 47 CO -0.09 -0.75 1.95 1.23 0.98 0.00 0.00 173.24 176.56 3mgp h GLY 48 N 2.26 0.00 1.09 7.32 0.00 -2.06 -0.74 103.07 110.94 3mgp h GLY 48 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3mgp h GLY 48 CO 0.61 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.94 3mgp n LEU 49 N -3.03 0.45 -0.17 3.11 4.77 -1.26 -4.11 117.00 116.77 3mgp n LEU 49 Ca -0.01 0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3mgp n LEU 49 Cb 0.39 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3mgp n LEU 49 CO 0.16 0.10 0.97 0.40 -1.33 0.00 0.00 177.39 177.68 3mgp h ILE 50 N 0.32 1.20 -0.71 -0.08 1.08 -1.50 -2.80 117.51 115.02 3mgp h ILE 50 Ca 0.00 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 63.91 3mgp h ILE 50 Cb 0.46 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 3mgp h ILE 50 CO 0.00 0.22 0.45 1.88 -0.69 0.00 0.00 178.15 180.02 3mgp h TYR 51 N 0.63 0.85 -0.13 1.37 -1.99 -1.77 0.74 116.97 116.66 3mgp h TYR 51 Ca 0.16 0.02 -0.21 0.00 2.00 0.00 0.00 58.73 60.71 3mgp h TYR 51 Cb 0.15 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.61 3mgp h TYR 51 CO -0.00 0.49 -0.75 1.49 -0.00 0.00 0.00 178.16 179.39 3mgp h GLU 52 N 0.89 0.67 -1.00 4.88 4.57 -1.83 -2.75 114.58 120.01 3mgp h GLU 52 Ca 0.28 -0.54 0.11 0.00 -1.18 0.00 0.00 59.36 58.04 3mgp h GLU 52 Cb -0.00 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.61 3mgp h GLU 52 CO -0.10 1.15 0.63 1.49 -1.18 0.00 0.00 179.01 181.01 3mgp h GLU 53 N 0.46 0.99 -0.11 1.92 4.57 -1.09 -2.08 114.58 119.24 3mgp h GLU 53 Ca -0.04 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 3mgp h GLU 53 Cb 1.36 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3mgp h GLU 53 CO 0.15 0.65 -0.36 1.15 -1.18 0.00 0.00 179.01 179.42 3mgp h THR 54 N 1.02 1.38 -0.60 0.32 2.02 -0.80 -1.53 112.91 114.73 3mgp h THR 54 Ca 0.48 -1.68 0.08 0.00 0.77 0.00 0.00 66.41 66.06 3mgp h THR 54 Cb 0.44 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.95 3mgp h THR 54 CO -0.25 0.50 0.26 0.03 0.37 0.00 0.00 175.52 176.44 3mgp h ARG 55 N 0.01 0.47 0.32 6.66 3.08 -1.44 0.44 114.38 123.93 3mgp h ARG 55 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3mgp h ARG 55 Cb 0.98 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 3mgp h ARG 55 CO 0.08 0.31 -0.51 0.78 -1.07 0.00 0.00 179.97 179.56 3mgp h GLY 56 N 0.48 -1.22 -0.05 0.04 0.00 -1.24 -1.38 103.07 99.71 3mgp h GLY 56 Ca 0.29 0.62 0.15 0.00 0.00 0.00 0.00 47.33 48.39 3mgp h GLY 56 CO -0.25 -0.33 0.17 -2.08 0.00 0.00 0.00 176.54 174.05 3mgp h VAL 57 N -0.88 0.52 -0.50 4.60 2.07 -0.94 -2.51 116.25 118.61 3mgp h VAL 57 Ca -0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3mgp h VAL 57 Cb 0.81 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3mgp h VAL 57 CO -0.16 0.05 0.31 0.25 0.02 0.00 0.00 177.57 178.03 3mgp h LEU 58 N 0.26 0.61 -0.27 2.57 5.85 0.13 -2.27 115.31 122.19 3mgp h LEU 58 Ca 0.40 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.10 3mgp h LEU 58 Cb 0.68 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3mgp h LEU 58 CO -0.50 0.48 0.05 0.50 -0.34 0.00 0.00 178.44 178.63 3mgp h LYS 59 N 0.68 0.15 -0.94 1.25 3.64 -1.01 0.18 116.57 120.52 3mgp h LYS 59 Ca 0.18 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3mgp h LYS 59 Cb -0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3mgp h LYS 59 CO -0.03 0.10 0.61 0.28 -2.27 0.00 0.00 179.45 178.14 3mgp h VAL 60 N 0.16 1.18 0.39 2.00 2.07 -1.36 0.22 116.25 120.89 3mgp h VAL 60 Ca 0.12 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3mgp h VAL 60 Cb 0.13 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3mgp h VAL 60 CO -0.16 0.22 -0.19 0.15 0.02 0.00 0.00 177.57 177.61 3mgp h PHE 61 N 1.21 -0.48 -0.77 1.57 3.57 -0.66 -2.22 116.94 119.15 3mgp h PHE 61 Ca 0.37 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.93 3mgp h PHE 61 Cb -0.03 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3mgp h PHE 61 CO -0.01 -0.23 0.45 -0.07 -2.23 0.00 0.00 178.31 176.22 3mgp h LEU 62 N -0.64 0.67 -0.28 0.59 3.38 -0.54 -2.53 115.31 115.95 3mgp h LEU 62 Ca -0.05 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3mgp h LEU 62 Cb 0.47 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3mgp h LEU 62 CO 0.09 0.41 -0.01 -0.33 0.09 0.00 0.00 178.44 178.69 3mgp h GLU 63 N 0.80 0.07 -0.65 1.13 5.08 -0.45 -0.06 114.58 120.51 3mgp h GLU 63 Ca 0.35 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3mgp h GLU 63 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3mgp h GLU 63 CO -0.20 0.05 0.12 -0.91 -1.00 0.00 0.00 179.01 177.06 3mgp h ASN 64 N 0.08 1.01 0.02 1.42 2.35 -1.05 -0.27 115.58 119.14 3mgp h ASN 64 Ca 0.14 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3mgp h ASN 64 Cb 0.18 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3mgp h ASN 64 CO -0.23 1.00 -0.14 0.58 -1.65 0.00 0.00 177.43 176.98 3mgp h VAL 65 N 1.00 1.74 -0.86 2.81 2.07 -1.32 -3.06 116.25 118.62 3mgp h VAL 65 Ca 0.20 -2.36 0.12 0.00 0.82 0.00 0.00 66.70 65.47 3mgp h VAL 65 Cb 0.41 3.34 -0.08 0.00 -1.52 0.00 0.00 31.29 33.44 3mgp h VAL 65 CO 0.01 0.62 0.49 0.40 0.02 0.00 0.00 177.57 179.11 3mgp h ILE 66 N -0.88 0.86 0.02 4.57 2.04 -1.04 0.27 117.51 123.35 3mgp h ILE 66 Ca -0.02 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3mgp h ILE 66 Cb 1.10 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3mgp h ILE 66 CO 0.03 0.14 -0.23 -0.09 0.00 0.00 0.00 178.15 178.00 3mgp h ARG 67 N 0.78 -0.36 -0.46 2.37 2.43 -1.06 0.57 114.38 118.65 3mgp h ARG 67 Ca 0.44 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.58 3mgp h ARG 67 Cb 0.48 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3mgp h ARG 67 CO -0.28 -0.24 0.08 -0.44 -1.51 0.00 0.00 179.97 177.58 3mgp h ASP 68 N -0.37 0.73 0.12 -3.80 3.32 -1.41 0.66 116.42 115.67 3mgp h ASP 68 Ca 0.06 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.87 3mgp h ASP 68 Cb 0.44 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3mgp h ASP 68 CO -0.19 0.80 -0.33 0.00 -1.72 0.00 0.00 179.24 177.80 3mgp h ALA 69 N 0.95 -0.57 -0.46 3.45 0.00 -0.01 -1.27 119.26 121.36 3mgp h ALA 69 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3mgp h ALA 69 Cb 0.38 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3mgp h ALA 69 CO 0.01 -0.88 0.14 0.28 0.00 0.00 0.00 179.25 178.79 3mgp h VAL 70 N -0.56 1.19 -0.28 0.00 2.07 0.22 -2.29 116.25 116.60 3mgp h VAL 70 Ca 0.03 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3mgp h VAL 70 Cb 0.59 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3mgp h VAL 70 CO -0.20 0.24 -0.08 0.74 0.02 0.00 0.00 177.57 178.30 3mgp h THR 71 N 0.66 0.69 -0.74 2.57 2.02 -0.32 -0.88 112.91 116.92 3mgp h THR 71 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.42 3mgp h THR 71 Cb 0.21 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 3mgp h THR 71 CO -0.01 0.00 0.40 1.88 0.37 0.00 0.00 175.52 178.16 3mgp h TYR 72 N -0.02 0.72 0.12 3.16 -1.99 -0.84 -1.44 116.97 116.68 3mgp h TYR 72 Ca 0.14 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.91 3mgp h TYR 72 Cb 0.23 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 3mgp h TYR 72 CO -0.28 0.30 -0.22 1.15 -0.00 0.00 0.00 178.16 179.11 3mgp h THR 73 N 0.69 0.51 -0.61 -2.88 2.02 -1.10 -2.53 112.91 109.01 3mgp h THR 73 Ca 0.35 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.57 3mgp h THR 73 Cb 0.32 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3mgp h THR 73 CO -0.24 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 175.69 3mgp h GLU 74 N -0.41 0.69 -0.74 6.66 5.08 -0.90 -2.07 114.58 122.90 3mgp h GLU 74 Ca 0.03 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3mgp h GLU 74 Cb 0.43 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3mgp h GLU 74 CO -0.12 0.46 0.49 1.25 -1.00 0.00 0.00 179.01 180.09 3mgp h HIS 75 N 0.71 0.61 -0.00 4.33 2.76 -1.15 0.42 115.15 122.83 3mgp h HIS 75 Ca 0.25 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3mgp h HIS 75 Cb 0.05 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3mgp h HIS 75 CO -0.06 0.26 -0.04 0.00 -1.30 0.00 0.00 177.93 176.79 3mgp n ALA 76 N -2.49 2.59 -3.33 5.26 0.00 -0.81 -4.92 120.51 116.81 3mgp n ALA 76 Ca 0.13 -0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 3mgp n ALA 76 Cb 0.41 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.50 3mgp n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgp n LYS 77 N -1.18 -6.25 -4.40 0.00 5.02 0.14 -5.03 118.16 106.45 3mgp n LYS 77 Ca 0.14 0.70 -0.24 0.00 -2.02 0.00 0.00 58.31 56.90 3mgp n LYS 77 Cb 0.25 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 29.83 3mgp n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgp s ARG 78 N -5.72 1.93 -0.00 1.97 0.52 -1.05 -5.02 118.95 111.58 3mgp s ARG 78 Ca 0.29 -1.67 0.15 0.00 -0.52 0.00 0.00 55.73 53.98 3mgp s ARG 78 Cb -0.13 -1.91 -0.16 0.00 0.52 0.00 0.00 34.95 33.27 3mgp s ARG 78 CO 0.61 0.30 0.61 1.63 0.02 0.00 0.00 175.30 178.47 3mgp n LYS 79 N -0.76 2.09 -4.25 3.54 5.02 -1.26 -4.43 118.16 118.11 3mgp n LYS 79 Ca -0.05 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 3mgp n LYS 79 Cb 0.60 -1.20 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 3mgp n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mgp s THR 80 N -2.41 4.00 -0.33 -0.18 2.01 -1.26 -5.08 115.64 112.39 3mgp s THR 80 Ca 0.05 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 3mgp s THR 80 Cb 0.11 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.85 3mgp s THR 80 CO 0.60 0.47 0.77 -0.69 -0.69 0.00 0.00 174.62 175.08 3mgp s VAL 81 N 0.59 4.78 0.41 3.82 1.01 -1.26 -4.94 120.40 124.81 3mgp s VAL 81 Ca -0.01 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 3mgp s VAL 81 Cb -0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3mgp s VAL 81 CO 0.02 -0.32 0.72 0.42 0.00 0.00 0.00 175.10 175.95 3mgp s THR 82 N 2.99 4.90 0.45 3.92 -4.23 -1.26 -4.99 115.64 117.42 3mgp s THR 82 Ca 0.31 0.29 0.16 0.00 -1.18 0.00 0.00 61.69 61.27 3mgp s THR 82 Cb -0.14 -3.79 0.34 0.00 1.34 0.00 0.00 72.50 70.25 3mgp s THR 82 CO 0.14 -0.62 1.99 0.00 -0.54 0.00 0.00 174.62 175.59 3mgp h ALA 83 N 0.90 2.09 -0.52 3.99 0.00 -1.96 -2.13 119.26 121.63 3mgp h ALA 83 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3mgp h ALA 83 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3mgp h ALA 83 CO 0.63 -0.23 0.03 0.52 0.00 0.00 0.00 179.25 180.21 3mgp h MET 84 N 0.33 0.85 -0.49 0.00 2.07 -1.94 -0.88 114.93 114.87 3mgp h MET 84 Ca 0.27 -0.22 0.02 0.00 -2.07 0.00 0.00 59.70 57.70 3mgp h MET 84 Cb 0.61 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 3mgp h MET 84 CO -0.07 0.83 0.30 -0.44 1.07 0.00 0.00 176.91 178.60 3mgp h ASP 85 N 0.80 0.48 -0.37 1.22 3.32 -1.73 0.11 116.42 120.25 3mgp h ASP 85 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3mgp h ASP 85 Cb 0.43 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3mgp h ASP 85 CO 0.02 0.34 0.18 0.58 -1.72 0.00 0.00 179.24 178.64 3mgp h VAL 86 N 0.59 1.17 -0.32 -1.35 2.07 -1.36 -1.80 116.25 115.25 3mgp h VAL 86 Ca 0.19 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3mgp h VAL 86 Cb 0.01 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3mgp h VAL 86 CO -0.08 0.18 0.03 0.58 0.02 0.00 0.00 177.57 178.30 3mgp h VAL 87 N 0.47 1.24 -0.22 2.57 2.07 -0.98 0.65 116.25 122.05 3mgp h VAL 87 Ca 0.13 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3mgp h VAL 87 Cb 0.12 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3mgp h VAL 87 CO -0.02 0.29 0.02 1.88 0.02 0.00 0.00 177.57 179.76 3mgp h TYR 88 N 0.37 0.32 0.03 1.57 0.99 -0.79 0.16 116.97 119.62 3mgp h TYR 88 Ca 0.10 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 3mgp h TYR 88 Cb 0.38 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.01 3mgp h TYR 88 CO 0.03 0.32 -0.01 0.00 -0.00 0.00 0.00 178.16 178.49 3mgp h ALA 89 N 1.71 -0.03 -0.57 3.88 0.00 -0.42 -2.04 119.26 121.78 3mgp h ALA 89 Ca 0.08 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.74 3mgp h ALA 89 Cb 0.18 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3mgp h ALA 89 CO 0.00 -0.10 0.05 -0.07 0.00 0.00 0.00 179.25 179.13 3mgp h LEU 90 N -0.87 -0.16 -0.69 0.00 3.38 0.32 -2.88 115.31 114.42 3mgp h LEU 90 Ca -0.00 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3mgp h LEU 90 Cb 0.73 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3mgp h LEU 90 CO 0.01 -0.06 0.45 0.50 0.09 0.00 0.00 178.44 179.42 3mgp h LYS 91 N 0.16 0.87 0.00 1.13 3.64 -0.63 -1.45 116.57 120.30 3mgp h LYS 91 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3mgp h LYS 91 Cb 0.46 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3mgp h LYS 91 CO -0.45 0.58 0.00 0.07 -2.27 0.00 0.00 179.45 177.38 3mgp h ARG 92 N 0.90 0.00 -0.64 1.90 0.11 -1.16 -1.07 114.38 114.42 3mgp h ARG 92 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3mgp h ARG 92 Cb -0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.02 3mgp h ARG 92 CO -0.08 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.03 3mgp n GLN 93 N -2.40 3.80 -3.25 0.08 6.02 -0.87 -4.94 117.38 115.82 3mgp n GLN 93 Ca 0.02 -2.58 -0.23 0.00 -0.01 0.00 0.00 57.00 54.19 3mgp n GLN 93 Cb 0.23 -1.96 0.03 0.00 1.02 0.00 0.00 30.24 29.56 3mgp n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgp n GLY 94 N 0.83 -0.52 2.45 1.08 0.00 -0.40 -4.92 105.19 103.70 3mgp n GLY 94 Ca 0.23 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 3mgp n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgp n ARG 95 N -4.17 2.81 -1.44 1.61 5.12 -0.60 -5.03 116.66 114.95 3mgp n ARG 95 Ca -0.06 -4.05 -0.56 0.00 -1.93 0.00 0.00 57.85 51.24 3mgp n ARG 95 Cb 0.59 -1.98 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 3mgp n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3mgp n THR 96 N -0.46 0.00 -5.09 0.55 -1.04 -1.25 -4.46 114.28 102.53 3mgp n THR 96 Ca 0.30 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.99 3mgp n THR 96 Cb 0.79 -0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 69.03 3mgp n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mgp s LEU 97 N 0.68 2.33 -0.05 -4.42 2.96 -1.26 -4.99 118.68 113.93 3mgp s LEU 97 Ca 0.87 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3mgp s LEU 97 Cb -1.22 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3mgp s LEU 97 CO 0.58 0.23 0.04 -0.31 -1.32 0.00 0.00 176.35 175.57 3mgp s TYR 98 N -0.05 3.22 0.00 5.38 2.02 -1.26 -4.71 117.35 121.96 3mgp s TYR 98 Ca -0.06 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 3mgp s TYR 98 Cb -0.14 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 3mgp s TYR 98 CO 0.05 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.95 3mgp n GLY 99 N 1.74 1.01 0.00 0.71 0.00 -1.26 -5.01 105.19 102.38 3mgp n GLY 99 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3mgp n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mgp n PHE 100 N 0.00 0.00 0.00 1.61 3.01 -1.26 -5.12 117.46 115.70 3mgp n PHE 100 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3mgp n PHE 100 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 3mgp n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgp n GLY 101 N -0.25 0.45 2.28 1.37 0.00 -1.26 -4.64 105.19 103.14 3mgp n GLY 101 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3mgp n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93