#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp s PRO 38 N 0.00 3.50 0.02 1.97 0.02 -1.26 -5.03 135.00 134.22 3mgp s PRO 38 Ca 0.00 1.21 -0.14 0.00 0.02 0.00 0.00 61.00 62.08 3mgp s PRO 38 Cb 0.00 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3mgp s PRO 38 CO 0.00 -0.66 0.42 -1.58 -0.33 0.00 0.00 177.00 174.85 3mgp s HIS 39 N -2.38 3.71 -0.09 6.54 2.46 -1.26 -5.09 115.29 119.19 3mgp s HIS 39 Ca 0.64 0.99 -0.04 0.00 0.47 0.00 0.00 55.06 57.12 3mgp s HIS 39 Cb -0.15 -2.29 0.05 0.00 -0.13 0.00 0.00 32.58 30.06 3mgp s HIS 39 CO 0.33 0.62 0.19 1.03 -2.47 0.00 0.00 174.74 174.43 3mgp s ARG 40 N -1.22 0.07 0.41 2.88 0.52 -1.26 -5.14 118.95 115.20 3mgp s ARG 40 Ca 0.26 0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 55.81 3mgp s ARG 40 Cb -0.16 -0.21 -0.08 0.00 0.52 0.00 0.00 34.95 35.02 3mgp s ARG 40 CO 0.14 -0.29 1.17 0.71 0.02 0.00 0.00 175.30 177.05 3mgp s TYR 41 N 2.24 3.04 0.58 -0.53 1.51 -1.26 -5.02 117.35 117.91 3mgp s TYR 41 Ca 0.02 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 57.48 3mgp s TYR 41 Cb -0.12 -3.39 -0.05 0.00 -0.11 0.00 0.00 41.96 38.29 3mgp s TYR 41 CO -0.06 -1.34 1.02 1.03 -1.11 0.00 0.00 175.55 175.09 3mgp s ARG 42 N -2.34 3.58 -0.17 -0.62 0.52 -1.26 -4.92 118.95 113.74 3mgp s ARG 42 Ca 0.58 1.01 -0.35 0.00 -0.52 0.00 0.00 55.73 56.45 3mgp s ARG 42 Cb -0.30 -2.08 -0.12 0.00 0.52 0.00 0.00 34.95 32.97 3mgp s ARG 42 CO 0.38 -0.58 1.94 -2.30 0.02 0.00 0.00 175.30 174.76 3mgp n PRO 43 N -2.07 1.86 0.00 3.54 -0.02 -1.26 -2.22 135.00 134.83 3mgp n PRO 43 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3mgp n PRO 43 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3mgp n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgp n GLY 44 N 4.82 1.90 0.15 -1.23 0.00 -1.26 -4.98 105.19 104.59 3mgp n GLY 44 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 3mgp n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mgp h THR 45 N 0.00 1.33 0.01 2.61 2.02 -1.81 -2.32 112.91 114.74 3mgp h THR 45 Ca 0.00 -2.68 -0.20 0.00 0.77 0.00 0.00 66.41 64.30 3mgp h THR 45 Cb 0.00 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 3mgp h THR 45 CO 0.00 0.80 -0.94 0.58 0.37 0.00 0.00 175.52 176.33 3mgp h VAL 46 N 0.18 1.65 0.68 3.16 2.07 -1.94 -2.43 116.25 119.62 3mgp h VAL 46 Ca -0.20 -3.14 -0.03 0.00 0.82 0.00 0.00 66.70 64.14 3mgp h VAL 46 Cb 2.03 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 34.51 3mgp h VAL 46 CO 0.25 0.90 -0.36 0.00 0.02 0.00 0.00 177.57 178.37 3mgp h ALA 47 N 1.04 -0.97 -0.99 1.67 0.00 -1.93 0.17 119.26 118.25 3mgp h ALA 47 Ca -0.02 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3mgp h ALA 47 Cb 1.65 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.77 3mgp h ALA 47 CO 0.13 -1.05 0.62 -0.07 0.00 0.00 0.00 179.25 178.88 3mgp h LEU 48 N -0.96 0.94 -0.71 0.00 3.38 -1.49 -0.44 115.31 116.03 3mgp h LEU 48 Ca -0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3mgp h LEU 48 Cb 0.75 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3mgp h LEU 48 CO 0.13 0.53 0.30 -0.09 0.09 0.00 0.00 178.44 179.40 3mgp h ARG 49 N 1.03 1.05 -0.37 1.13 2.43 -1.21 -2.43 114.38 116.00 3mgp h ARG 49 Ca 0.47 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3mgp h ARG 49 Cb 0.40 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3mgp h ARG 49 CO -0.24 0.85 -0.03 0.93 -1.51 0.00 0.00 179.97 179.97 3mgp h GLU 50 N 1.00 0.68 -0.37 0.20 5.08 0.38 -1.77 114.58 119.79 3mgp h GLU 50 Ca 0.24 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3mgp h GLU 50 Cb 0.18 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 3mgp h GLU 50 CO -0.02 0.80 -0.38 0.82 -1.00 0.00 0.00 179.01 179.23 3mgp h ILE 51 N 0.49 0.17 -0.64 3.13 2.04 -1.03 0.45 117.51 122.13 3mgp h ILE 51 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3mgp h ILE 51 Cb 0.51 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 3mgp h ILE 51 CO 0.02 0.00 0.29 0.03 0.00 0.00 0.00 178.15 178.50 3mgp h ARG 52 N -0.31 0.51 0.01 2.37 3.08 -1.33 0.36 114.38 119.06 3mgp h ARG 52 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3mgp h ARG 52 Cb 0.57 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3mgp h ARG 52 CO -0.53 0.34 -0.02 -0.09 -1.07 0.00 0.00 179.97 178.59 3mgp h ARG 53 N 0.52 -0.04 0.03 0.04 2.43 -0.76 -2.70 114.38 113.89 3mgp h ARG 53 Ca 0.31 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.26 3mgp h ARG 53 Cb 0.32 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3mgp h ARG 53 CO -0.26 -0.03 -0.97 1.88 -1.51 0.00 0.00 179.97 179.09 3mgp h TYR 54 N -0.04 0.37 0.00 2.20 -1.99 -0.58 -2.97 116.97 113.96 3mgp h TYR 54 Ca 0.00 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3mgp h TYR 54 Cb 0.05 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 3mgp h TYR 54 CO -0.09 1.07 -0.05 1.96 -0.00 0.00 0.00 178.16 181.04 3mgp h GLN 55 N 0.12 0.00 0.00 4.88 4.20 -0.31 -3.02 115.11 120.98 3mgp h GLN 55 Ca -0.06 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3mgp h GLN 55 Cb 1.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 3mgp h GLN 55 CO 0.15 0.05 -0.65 -0.22 -0.67 0.00 0.00 178.83 177.50 3mgp h LYS 56 N 0.00 0.00 -6.03 1.46 3.64 -1.32 -3.47 116.57 110.84 3mgp h LYS 56 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3mgp h LYS 56 Cb 0.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3mgp h LYS 56 CO 0.01 0.35 -0.40 -1.54 -2.27 0.00 0.00 179.45 175.59 3mgp s SER 57 N -6.21 4.76 0.00 4.20 1.04 -1.14 -5.06 113.70 111.29 3mgp s SER 57 Ca 0.03 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3mgp s SER 57 Cb 0.08 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3mgp s SER 57 CO 0.75 -0.70 0.38 0.35 0.98 0.00 0.00 173.24 175.00 3mgp n THR 58 N -1.48 0.00 -1.73 2.02 -2.24 -1.26 -4.97 114.28 104.62 3mgp n THR 58 Ca 0.01 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 3mgp n THR 58 Cb 0.63 1.11 0.03 0.00 -2.10 0.00 0.00 70.33 70.00 3mgp n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3mgp n GLU 59 N -0.12 1.90 -2.11 -0.78 0.28 -1.26 -4.95 120.64 113.60 3mgp n GLU 59 Ca 0.00 0.69 -0.40 0.00 -0.16 0.00 0.00 57.16 57.28 3mgp n GLU 59 Cb 0.03 -2.52 -0.02 0.00 1.43 0.00 0.00 31.44 30.36 3mgp n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3mgp s LEU 60 N -2.64 4.36 -0.02 -1.84 1.02 -1.26 -4.96 118.68 113.34 3mgp s LEU 60 Ca 0.65 2.66 0.21 0.00 0.02 0.00 0.00 54.13 57.68 3mgp s LEU 60 Cb -0.45 -3.74 -0.29 0.00 0.02 0.00 0.00 46.19 41.73 3mgp s LEU 60 CO 0.54 -0.63 0.64 0.18 0.02 0.00 0.00 176.35 177.10 3mgp n LEU 61 N 0.57 0.39 -4.86 1.79 4.77 -1.26 -4.87 117.00 113.54 3mgp n LEU 61 Ca 0.01 -0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 3mgp n LEU 61 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3mgp n LEU 61 CO 0.58 0.10 0.13 -0.63 -1.33 0.00 0.00 177.39 176.24 3mgp s ILE 62 N -3.30 5.02 0.50 -0.08 1.01 -1.26 -5.08 121.20 118.00 3mgp s ILE 62 Ca -0.02 0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 3mgp s ILE 62 Cb 0.15 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 3mgp s ILE 62 CO 0.89 0.26 1.10 -0.13 0.00 0.00 0.00 174.94 177.06 3mgp s ARG 63 N -1.96 3.64 0.02 2.79 1.81 -1.26 -4.98 118.95 119.00 3mgp s ARG 63 Ca 0.35 1.57 -0.25 0.00 -1.72 0.00 0.00 55.73 55.68 3mgp s ARG 63 Cb -0.14 -2.16 -0.18 0.00 -0.45 0.00 0.00 34.95 32.01 3mgp s ARG 63 CO 0.19 -0.60 1.39 0.87 -0.68 0.00 0.00 175.30 176.46 3mgp h LYS 64 N 1.60 -0.12 0.25 3.54 1.79 -1.98 -3.07 116.57 118.58 3mgp h LYS 64 Ca -0.50 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 3mgp h LYS 64 Cb 1.24 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3mgp h LYS 64 CO 0.59 0.20 -0.12 1.25 -1.08 0.00 0.00 179.45 180.29 3mgp h LEU 65 N -0.44 -0.28 -0.90 2.94 5.85 -1.99 -0.67 115.31 119.82 3mgp h LEU 65 Ca -0.01 -0.12 0.24 0.00 0.84 0.00 0.00 57.88 58.82 3mgp h LEU 65 Cb 0.37 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.34 3mgp h LEU 65 CO 0.02 -0.04 0.36 -0.65 -0.34 0.00 0.00 178.44 177.79 3mgp h PRO 66 N -0.52 0.31 -0.14 5.25 0.11 -1.99 -0.16 132.00 134.87 3mgp h PRO 66 Ca -0.03 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 3mgp h PRO 66 Cb 0.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3mgp h PRO 66 CO 0.06 0.21 -0.33 0.35 -0.21 0.00 0.00 178.00 178.07 3mgp h PHE 67 N 0.32 0.61 -0.90 0.65 3.57 -1.41 -2.75 116.94 117.03 3mgp h PHE 67 Ca 0.58 -0.23 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3mgp h PHE 67 Cb 1.16 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 3mgp h PHE 67 CO -0.17 0.95 0.59 0.37 -2.23 0.00 0.00 178.31 177.82 3mgp h GLN 68 N 0.09 1.01 -0.27 1.11 4.15 -0.50 -2.11 115.11 118.58 3mgp h GLN 68 Ca -0.00 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 3mgp h GLN 68 Cb 0.93 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3mgp h GLN 68 CO 0.07 0.67 -0.24 0.00 -1.93 0.00 0.00 178.83 177.40 3mgp h ARG 69 N 1.04 0.52 -0.06 1.69 3.08 -0.96 -1.69 114.38 118.00 3mgp h ARG 69 Ca 0.38 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 3mgp h ARG 69 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3mgp h ARG 69 CO -0.14 0.73 -0.59 1.25 -1.07 0.00 0.00 179.97 180.15 3mgp h LEU 70 N 0.46 0.22 0.04 3.04 5.85 -1.17 -1.33 115.31 122.43 3mgp h LEU 70 Ca 0.07 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3mgp h LEU 70 Cb 0.67 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3mgp h LEU 70 CO 0.05 0.76 -0.02 0.58 -0.34 0.00 0.00 178.44 179.47 3mgp h VAL 71 N 0.15 1.26 -0.95 1.05 2.07 -1.22 -1.89 116.25 116.71 3mgp h VAL 71 Ca -0.00 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3mgp h VAL 71 Cb 1.08 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 3mgp h VAL 71 CO 0.09 0.25 0.62 0.03 0.02 0.00 0.00 177.57 178.58 3mgp h ARG 72 N -0.50 1.18 0.70 1.57 3.08 -1.30 0.47 114.38 119.58 3mgp h ARG 72 Ca -0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3mgp h ARG 72 Cb 0.46 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3mgp h ARG 72 CO 0.01 0.78 -0.33 1.49 -1.07 0.00 0.00 179.97 180.84 3mgp h GLU 73 N 1.21 -0.90 -0.68 0.04 4.81 -1.26 -1.46 114.58 116.34 3mgp h GLU 73 Ca 0.38 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.70 3mgp h GLU 73 Cb -0.01 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3mgp h GLU 73 CO -0.12 -0.57 0.42 0.82 -0.73 0.00 0.00 179.01 178.82 3mgp h ILE 74 N -1.05 1.06 0.00 2.32 2.04 -1.22 -2.07 117.51 118.59 3mgp h ILE 74 Ca -0.10 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 3mgp h ILE 74 Cb 0.74 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3mgp h ILE 74 CO 0.16 0.15 -0.27 0.00 0.00 0.00 0.00 178.15 178.19 3mgp h ALA 75 N 1.31 1.35 -0.03 1.87 0.00 -0.94 -3.04 119.26 119.76 3mgp h ALA 75 Ca 0.28 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3mgp h ALA 75 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mgp h ALA 75 CO -0.12 0.33 -0.87 0.37 0.00 0.00 0.00 179.25 178.96 3mgp h GLN 76 N 0.00 0.44 0.00 0.00 4.15 -0.60 -1.34 115.11 117.75 3mgp h GLN 76 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.99 3mgp h GLN 76 Cb 0.54 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3mgp h GLN 76 CO 0.03 1.08 0.00 -0.44 -1.93 0.00 0.00 178.83 177.57 3mgp h ASP 77 N 0.27 0.00 0.17 -0.69 3.32 -1.30 -3.09 116.42 115.09 3mgp h ASP 77 Ca -0.06 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.64 3mgp h ASP 77 Cb 1.49 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.99 3mgp h ASP 77 CO 0.15 0.00 -2.14 0.49 -1.72 0.00 0.00 179.24 176.02 3mgp n PHE 78 N -2.71 0.52 -3.64 4.55 0.99 -0.95 -4.99 117.46 111.22 3mgp n PHE 78 Ca -0.02 0.15 -0.03 0.00 -0.00 0.00 0.00 57.45 57.55 3mgp n PHE 78 Cb 0.09 -1.08 -0.07 0.00 -1.00 0.00 0.00 39.48 37.42 3mgp n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 3mgp s LYS 79 N -2.54 0.45 0.59 -1.08 2.47 -0.55 -5.13 119.74 113.95 3mgp s LYS 79 Ca -0.16 0.78 -0.07 0.00 -1.56 0.00 0.00 55.97 54.96 3mgp s LYS 79 Cb 0.07 0.09 -0.00 0.00 -1.46 0.00 0.00 37.83 36.53 3mgp s LYS 79 CO 0.77 -0.09 0.92 0.95 0.16 0.00 0.00 175.35 178.06 3mgp s THR 80 N 1.41 3.89 -1.47 3.43 -4.23 -1.25 -4.13 115.64 113.28 3mgp s THR 80 Ca -0.09 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 3mgp s THR 80 Cb -0.04 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.26 3mgp s THR 80 CO -0.16 -0.59 0.27 0.47 -0.54 0.00 0.00 174.62 174.07 3mgp n ASP 81 N -2.61 -5.47 -4.82 3.99 9.92 -1.26 -5.00 116.55 111.31 3mgp n ASP 81 Ca 0.04 -0.14 -0.37 0.00 -0.53 0.00 0.00 54.79 53.79 3mgp n ASP 81 Cb 0.57 -4.41 -0.06 0.00 -0.64 0.00 0.00 41.12 36.58 3mgp n ASP 81 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3mgp s LEU 82 N -5.61 4.46 0.24 0.64 1.43 -1.26 -5.10 118.68 113.48 3mgp s LEU 82 Ca 0.14 1.25 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3mgp s LEU 82 Cb -0.06 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 3mgp s LEU 82 CO 0.17 0.20 -0.07 -0.13 0.23 0.00 0.00 176.35 176.75 3mgp s ARG 83 N -1.44 2.11 -0.07 1.70 0.52 -1.26 -5.09 118.95 115.42 3mgp s ARG 83 Ca 0.33 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 3mgp s ARG 83 Cb -0.18 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.21 3mgp s ARG 83 CO 0.20 0.38 -0.14 -0.06 0.02 0.00 0.00 175.30 175.70 3mgp s PHE 84 N -2.16 1.58 0.30 -0.53 0.40 -1.26 -5.11 117.98 111.20 3mgp s PHE 84 Ca 0.29 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.74 3mgp s PHE 84 Cb -0.07 -1.14 -0.10 0.00 0.51 0.00 0.00 43.02 42.22 3mgp s PHE 84 CO 0.17 -0.29 1.44 -0.65 0.70 0.00 0.00 175.22 176.60 3mgp s GLN 85 N 0.61 4.24 0.58 0.44 -0.21 -1.26 -4.88 119.66 119.18 3mgp s GLN 85 Ca -0.15 2.37 0.29 0.00 0.02 0.00 0.00 55.36 57.89 3mgp s GLN 85 Cb -0.16 -3.06 1.51 0.00 1.00 0.00 0.00 33.01 32.30 3mgp s GLN 85 CO 0.04 -0.42 1.95 0.66 -2.12 0.00 0.00 175.29 175.40 3mgp h SER 86 N 4.29 0.00 0.32 5.90 4.64 -2.01 0.39 113.55 127.08 3mgp h SER 86 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3mgp h SER 86 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3mgp h SER 86 CO 0.73 0.00 -0.53 -1.54 -0.87 0.00 0.00 176.83 174.62 3mgp n SER 87 N -3.79 0.81 0.04 4.97 3.41 -1.26 -2.32 113.62 115.48 3mgp n SER 87 Ca 0.07 -0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 57.98 3mgp n SER 87 Cb 0.59 0.37 0.05 0.00 -0.26 0.00 0.00 64.21 64.96 3mgp n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgp h ALA 88 N 3.21 0.68 0.05 7.33 0.00 -1.28 -1.74 119.26 127.51 3mgp h ALA 88 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 3mgp h ALA 88 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3mgp h ALA 88 CO 0.00 0.73 -1.06 0.28 0.00 0.00 0.00 179.25 179.21 3mgp h VAL 89 N 0.30 1.43 -0.23 0.00 2.07 -1.44 -2.64 116.25 115.74 3mgp h VAL 89 Ca -0.01 -2.67 -0.16 0.00 0.82 0.00 0.00 66.70 64.67 3mgp h VAL 89 Cb 1.20 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 3mgp h VAL 89 CO 0.11 0.79 -0.53 0.24 0.02 0.00 0.00 177.57 178.21 3mgp h MET 90 N 0.17 0.66 -0.80 1.57 2.86 -1.50 -1.72 114.93 116.17 3mgp h MET 90 Ca -0.10 -0.41 0.09 0.00 -2.06 0.00 0.00 59.70 57.22 3mgp h MET 90 Cb 1.72 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.37 3mgp h MET 90 CO 0.18 1.02 0.52 0.00 1.06 0.00 0.00 176.91 179.70 3mgp h ALA 91 N 0.90 1.72 0.08 6.32 0.00 -1.31 0.36 119.26 127.32 3mgp h ALA 91 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3mgp h ALA 91 Cb 1.08 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3mgp h ALA 91 CO 0.11 0.13 -1.12 -0.07 0.00 0.00 0.00 179.25 178.29 3mgp h LEU 92 N 0.78 0.55 -0.10 0.00 3.38 -1.26 -1.87 115.31 116.79 3mgp h LEU 92 Ca 0.37 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3mgp h LEU 92 Cb 0.39 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3mgp h LEU 92 CO -0.14 1.35 -0.01 -0.61 0.09 0.00 0.00 178.44 179.12 3mgp h GLN 93 N 0.17 0.19 -0.03 1.13 4.15 -0.95 0.52 115.11 120.29 3mgp h GLN 93 Ca -0.12 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.26 3mgp h GLN 93 Cb 1.80 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.44 3mgp h GLN 93 CO 0.19 0.47 -0.19 0.93 -1.93 0.00 0.00 178.83 178.31 3mgp h GLU 94 N -0.11 -0.28 -0.99 1.69 4.39 -0.96 0.73 114.58 119.05 3mgp h GLU 94 Ca 0.03 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3mgp h GLU 94 Cb 0.40 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 3mgp h GLU 94 CO 0.01 -0.19 0.64 0.00 -1.16 0.00 0.00 179.01 178.31 3mgp h ALA 95 N 0.64 1.39 -0.06 3.43 0.00 -1.33 -1.60 119.26 121.73 3mgp h ALA 95 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3mgp h ALA 95 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mgp h ALA 95 CO -0.20 0.48 -0.15 0.77 0.00 0.00 0.00 179.25 180.16 3mgp h SER 96 N 1.20 0.24 -0.26 0.00 0.02 -0.30 -1.27 113.55 113.16 3mgp h SER 96 Ca 0.41 -0.58 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 3mgp h SER 96 Cb 0.09 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3mgp h SER 96 CO -0.15 0.77 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.95 3mgp h GLU 97 N -0.28 0.62 -0.61 3.45 5.08 -0.86 -1.34 114.58 120.62 3mgp h GLU 97 Ca 0.00 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3mgp h GLU 97 Cb 0.74 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3mgp h GLU 97 CO 0.03 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3mgp h ALA 98 N 1.39 0.84 -0.63 3.43 0.00 -1.30 -1.55 119.26 121.43 3mgp h ALA 98 Ca 0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3mgp h ALA 98 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3mgp h ALA 98 CO 0.02 0.67 0.06 -0.92 0.00 0.00 0.00 179.25 179.08 3mgp h TYR 99 N 0.99 1.15 0.24 0.00 3.20 -1.07 -2.54 116.97 118.93 3mgp h TYR 99 Ca 0.18 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3mgp h TYR 99 Cb 0.56 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3mgp h TYR 99 CO 0.04 0.98 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.35 3mgp h LEU 100 N 0.99 -0.27 -0.91 2.82 3.38 -1.09 -1.55 115.31 118.68 3mgp h LEU 100 Ca 0.19 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3mgp h LEU 100 Cb 0.48 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 3mgp h LEU 100 CO 0.02 0.18 -0.41 0.58 0.09 0.00 0.00 178.44 178.89 3mgp h VAL 101 N -0.80 0.03 -0.63 1.22 2.07 -1.40 -0.62 116.25 116.12 3mgp h VAL 101 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3mgp h VAL 101 Cb 0.51 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3mgp h VAL 101 CO 0.05 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.03 3mgp h ALA 102 N 1.16 0.82 -0.18 1.67 0.00 -1.39 -2.34 119.26 119.00 3mgp h ALA 102 Ca 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3mgp h ALA 102 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3mgp h ALA 102 CO -0.92 0.13 0.07 1.25 0.00 0.00 0.00 179.25 179.78 3mgp h LEU 103 N 0.75 0.10 -1.60 0.00 5.85 -0.68 -2.04 115.31 117.69 3mgp h LEU 103 Ca 0.25 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.11 3mgp h LEU 103 Cb 0.03 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3mgp h LEU 103 CO -0.11 0.09 0.45 -0.26 -0.34 0.00 0.00 178.44 178.27 3mgp h PHE 104 N 0.17 0.47 0.68 1.25 -1.00 -0.93 0.20 116.94 117.77 3mgp h PHE 104 Ca 0.07 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 3mgp h PHE 104 Cb 0.03 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.45 3mgp h PHE 104 CO -0.10 0.20 -0.33 0.93 -1.61 0.00 0.00 178.31 177.41 3mgp h GLU 105 N 0.42 -0.88 -0.81 1.51 5.08 -0.85 0.43 114.58 119.49 3mgp h GLU 105 Ca 0.32 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.93 3mgp h GLU 105 Cb 0.68 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 3mgp h GLU 105 CO -0.10 -0.57 0.27 -0.44 -1.00 0.00 0.00 179.01 177.18 3mgp h ASP 106 N -0.97 0.15 0.15 1.42 5.19 -1.01 -1.77 116.42 119.57 3mgp h ASP 106 Ca -0.09 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3mgp h ASP 106 Cb 0.72 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.40 3mgp h ASP 106 CO 0.15 -0.02 -0.07 0.74 -3.12 0.00 0.00 179.24 176.92 3mgp h THR 107 N 0.33 0.90 -1.00 0.35 2.02 -0.19 -1.70 112.91 113.62 3mgp h THR 107 Ca 0.48 -0.18 0.22 0.00 0.77 0.00 0.00 66.41 67.70 3mgp h THR 107 Cb 0.86 1.01 -0.10 0.00 -1.74 0.00 0.00 68.15 68.17 3mgp h THR 107 CO -0.52 0.04 0.62 -1.13 0.37 0.00 0.00 175.52 174.90 3mgp h ASN 108 N -0.28 0.66 0.50 4.18 -1.24 0.16 -0.51 115.58 119.05 3mgp h ASN 108 Ca -0.02 0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 3mgp h ASN 108 Cb 0.22 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 3mgp h ASN 108 CO 0.03 0.19 -0.65 0.25 -1.29 0.00 0.00 177.43 175.96 3mgp h LEU 109 N 0.62 0.17 -0.19 0.34 5.85 -0.85 -1.87 115.31 119.37 3mgp h LEU 109 Ca 0.59 -0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.98 3mgp h LEU 109 Cb 1.12 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.11 3mgp h LEU 109 CO -0.36 0.77 -0.79 0.00 -0.34 0.00 0.00 178.44 177.72 3mgp h ALA 111 N 0.61 -1.15 -1.01 0.00 0.00 -1.01 -2.92 119.26 113.77 3mgp h ALA 111 Ca -0.06 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.90 3mgp h ALA 111 Cb 1.42 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 19.85 3mgp h ALA 111 CO 0.16 -1.19 0.63 0.82 0.00 0.00 0.00 179.25 179.67 3mgp h ILE 112 N -1.01 0.59 -0.30 0.00 2.04 -1.30 0.28 117.51 117.81 3mgp h ILE 112 Ca -0.06 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3mgp h ILE 112 Cb 0.88 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3mgp h ILE 112 CO -0.07 0.10 0.20 -0.74 0.00 0.00 0.00 178.15 177.63 3mgp h HIS 113 N 0.52 0.36 -0.35 1.37 2.76 -1.32 -1.36 115.15 117.13 3mgp h HIS 113 Ca 0.59 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 3mgp h HIS 113 Cb 1.26 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.10 3mgp h HIS 113 CO -0.00 0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.85 3mgp n ALA 114 N -2.50 2.45 -2.42 5.26 0.00 0.94 -4.90 120.51 119.35 3mgp n ALA 114 Ca 0.02 -0.65 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 3mgp n ALA 114 Cb 0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 3mgp n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgp n LYS 115 N 0.59 -1.82 -4.15 0.00 5.02 -0.51 -5.02 118.16 112.26 3mgp n LYS 115 Ca 0.13 0.77 -0.28 0.00 -2.02 0.00 0.00 58.31 56.92 3mgp n LYS 115 Cb 0.33 -5.19 -0.04 0.00 -0.02 0.00 0.00 35.03 30.11 3mgp n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgp s ARG 116 N -4.94 2.24 0.00 1.97 0.52 -0.86 -4.98 118.95 112.90 3mgp s ARG 116 Ca 0.05 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 3mgp s ARG 116 Cb -0.02 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.51 3mgp s ARG 116 CO 0.06 -0.47 0.18 1.33 0.02 0.00 0.00 175.30 176.43 3mgp n VAL 117 N -1.55 0.00 -3.69 3.52 0.24 -1.26 -3.19 118.33 112.40 3mgp n VAL 117 Ca -0.06 -0.20 -0.37 0.00 -2.04 0.00 0.00 64.34 61.67 3mgp n VAL 117 Cb 0.65 1.57 -0.12 0.00 -1.47 0.00 0.00 33.84 34.47 3mgp n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3mgp s THR 118 N -0.03 4.64 0.10 3.34 2.01 -1.26 -5.01 115.64 119.43 3mgp s THR 118 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 3mgp s THR 118 Cb 0.00 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 3mgp s THR 118 CO 0.00 0.28 1.17 0.27 -0.69 0.00 0.00 174.62 175.65 3mgp s ILE 119 N 1.66 3.96 0.22 1.82 -4.36 -1.26 -4.84 121.20 118.39 3mgp s ILE 119 Ca 0.06 1.48 0.10 0.00 -0.26 0.00 0.00 60.65 62.04 3mgp s ILE 119 Cb -0.16 -3.95 -0.05 0.00 1.25 0.00 0.00 42.46 39.56 3mgp s ILE 119 CO 0.06 0.16 -0.20 -0.04 0.24 0.00 0.00 174.94 175.16 3mgp s MET 120 N 0.59 1.49 0.40 0.37 -1.94 -1.26 -5.03 119.30 113.93 3mgp s MET 120 Ca 0.56 -1.59 0.22 0.00 -1.71 0.00 0.00 55.69 53.17 3mgp s MET 120 Cb -0.30 -1.59 1.23 0.00 2.01 0.00 0.00 34.83 36.18 3mgp s MET 120 CO 0.31 0.31 1.69 -1.35 -0.01 0.00 0.00 175.02 175.98 3mgp h PRO 121 N 2.80 0.24 0.00 2.03 0.11 -2.01 -0.37 132.00 134.80 3mgp h PRO 121 Ca -0.42 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3mgp h PRO 121 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mgp h PRO 121 CO 0.55 0.16 -0.08 1.57 -0.21 0.00 0.00 178.00 179.99 3mgp h LYS 122 N 0.25 0.00 -0.28 1.05 2.10 -1.99 -1.96 116.57 115.75 3mgp h LYS 122 Ca 0.71 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 59.20 3mgp h LYS 122 Cb 1.98 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.31 3mgp h LYS 122 CO -0.41 0.08 -0.47 -0.44 -2.00 0.00 0.00 179.45 176.21 3mgp h ASP 123 N 0.00 0.89 -0.40 7.07 3.32 -1.41 -2.29 116.42 123.61 3mgp h ASP 123 Ca -0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 3mgp h ASP 123 Cb 0.70 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3mgp h ASP 123 CO 0.01 1.25 0.13 0.40 -1.72 0.00 0.00 179.24 179.31 3mgp h ILE 124 N 0.57 1.21 -0.51 0.35 2.04 -1.35 -1.50 117.51 118.32 3mgp h ILE 124 Ca 0.02 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3mgp h ILE 124 Cb 1.08 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3mgp h ILE 124 CO 0.11 0.25 0.11 1.56 0.00 0.00 0.00 178.15 180.17 3mgp h GLN 125 N 0.50 0.79 -0.13 2.37 4.20 -1.40 -0.58 115.11 120.85 3mgp h GLN 125 Ca 0.13 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3mgp h GLN 125 Cb 0.25 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3mgp h GLN 125 CO -0.00 0.72 -0.03 1.25 -0.67 0.00 0.00 178.83 180.10 3mgp h LEU 126 N 0.76 0.25 -0.60 1.46 5.85 -1.20 -1.43 115.31 120.40 3mgp h LEU 126 Ca 0.17 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.64 3mgp h LEU 126 Cb 0.30 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 3mgp h LEU 126 CO 0.00 0.55 -0.20 0.00 -0.34 0.00 0.00 178.44 178.45 3mgp h ALA 127 N 0.70 0.28 0.00 1.25 0.00 -0.96 -1.86 119.26 118.67 3mgp h ALA 127 Ca 0.03 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3mgp h ALA 127 Cb 0.44 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3mgp h ALA 127 CO 0.01 -0.50 -0.56 0.00 0.00 0.00 0.00 179.25 178.20 3mgp h ARG 128 N -0.06 0.00 0.15 0.00 3.08 -1.01 -0.14 114.38 116.40 3mgp h ARG 128 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3mgp h ARG 128 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3mgp h ARG 128 CO -0.64 0.56 -0.07 -0.09 -1.07 0.00 0.00 179.97 178.66 3mgp h ARG 129 N 0.00 -0.19 -0.51 0.04 2.43 -0.90 0.25 114.38 115.50 3mgp h ARG 129 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3mgp h ARG 129 Cb 1.00 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3mgp h ARG 129 CO 0.07 0.22 0.29 0.82 -1.51 0.00 0.00 179.97 179.87 3mgp h ILE 130 N -0.69 1.17 -0.15 1.20 2.04 -1.35 -1.76 117.51 117.95 3mgp h ILE 130 Ca -0.02 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3mgp h ILE 130 Cb 0.50 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3mgp h ILE 130 CO 0.03 0.17 0.38 0.03 0.00 0.00 0.00 178.15 178.77 3mgp h ARG 131 N 0.67 0.00 0.00 2.37 3.08 -1.09 -3.46 114.38 115.96 3mgp h ARG 131 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3mgp h ARG 131 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3mgp h ARG 131 CO -0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 3mgp n GLY 132 N -1.32 0.61 0.27 0.04 0.00 -0.67 -4.91 105.19 99.21 3mgp n GLY 132 Ca 0.01 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3mgp n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mgp n GLU 133 N -2.71 1.37 0.00 1.61 1.02 0.79 -4.39 120.64 118.34 3mgp n GLU 133 Ca 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 3mgp n GLU 133 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3mgp n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mgp n ARG 134 N -0.30 0.58 0.00 3.49 5.12 -0.72 -4.85 116.66 119.98 3mgp n ARG 134 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3mgp n ARG 134 Cb 0.22 -0.44 0.00 0.00 -1.16 0.00 0.00 32.46 31.08 3mgp n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70