#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgs n ASN 25 N 0.00 0.00 -0.22 -2.24 3.02 -1.26 -3.66 115.26 110.90 3mgs n ASN 25 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3mgs n ASN 25 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 3mgs n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3mgs h ILE 26 N 0.00 1.22 0.00 2.41 6.09 -2.00 -0.44 117.51 124.79 3mgs h ILE 26 Ca 0.00 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 3mgs h ILE 26 Cb 0.00 0.26 0.00 0.00 0.47 0.00 0.00 36.82 37.55 3mgs h ILE 26 CO 0.00 0.25 0.00 0.00 -3.07 0.00 0.00 178.15 175.33 3mgs n GLN 27 N -4.35 0.12 0.16 2.19 1.13 -1.24 -1.87 117.38 113.53 3mgs n GLN 27 Ca 0.07 0.45 0.01 0.00 -1.94 0.00 0.00 57.00 55.59 3mgs n GLN 27 Cb 0.11 -1.78 0.26 0.00 0.11 0.00 0.00 30.24 28.95 3mgs n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3mgs h GLY 28 N 1.56 0.00 -7.41 1.08 0.00 -1.32 -3.39 103.07 93.60 3mgs h GLY 28 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3mgs h GLY 28 CO 0.00 0.00 1.13 -0.42 0.00 0.00 0.00 176.54 177.25 3mgs s ILE 29 N -3.81 3.35 0.49 2.60 -1.09 -0.78 -4.93 121.20 117.04 3mgs s ILE 29 Ca -0.02 -0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 3mgs s ILE 29 Cb 0.13 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.06 3mgs s ILE 29 CO 0.74 -0.84 0.93 0.42 -1.23 0.00 0.00 174.94 174.96 3mgs s THR 30 N 9.76 4.61 0.23 2.92 -4.23 -1.26 -4.88 115.64 122.79 3mgs s THR 30 Ca 0.71 1.05 -0.14 0.00 -1.18 0.00 0.00 61.69 62.13 3mgs s THR 30 Cb -0.11 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.29 3mgs s THR 30 CO 0.14 -0.67 1.58 0.50 -0.54 0.00 0.00 174.62 175.63 3mgs h LYS 31 N 0.93 -0.03 -0.23 3.99 3.64 -1.91 -1.23 116.57 121.72 3mgs h LYS 31 Ca -0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3mgs h LYS 31 Cb 1.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3mgs h LYS 31 CO 0.62 -0.02 0.04 -1.00 -2.27 0.00 0.00 179.45 176.81 3mgs h PRO 32 N -0.03 0.33 -0.23 1.90 0.13 -1.98 0.60 132.00 132.71 3mgs h PRO 32 Ca 0.36 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.33 3mgs h PRO 32 Cb 0.60 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3mgs h PRO 32 CO -0.84 0.33 -0.28 0.00 -0.23 0.00 0.00 178.00 176.97 3mgs h ALA 33 N 1.72 0.35 -0.64 -0.56 0.00 -1.74 -0.32 119.26 118.06 3mgs h ALA 33 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mgs h ALA 33 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3mgs h ALA 33 CO -0.00 0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.81 3mgs h ILE 34 N 0.31 1.18 -0.24 0.00 2.04 -1.04 -1.89 117.51 117.87 3mgs h ILE 34 Ca 0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3mgs h ILE 34 Cb 0.85 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3mgs h ILE 34 CO 0.07 0.20 0.07 -0.09 0.00 0.00 0.00 178.15 178.39 3mgs h ARG 35 N 0.89 0.37 -0.51 2.37 2.43 -0.51 -2.29 114.38 117.13 3mgs h ARG 35 Ca 0.23 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3mgs h ARG 35 Cb -0.02 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 3mgs h ARG 35 CO -0.04 0.47 0.18 0.00 -1.51 0.00 0.00 179.97 179.07 3mgs h ARG 36 N 0.21 0.35 0.19 0.20 3.08 -0.51 -1.66 114.38 116.24 3mgs h ARG 36 Ca 0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mgs h ARG 36 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3mgs h ARG 36 CO -0.00 0.23 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.82 3mgs h LEU 37 N 0.36 -0.67 -0.84 3.04 3.38 -1.29 -1.81 115.31 117.48 3mgs h LEU 37 Ca 0.25 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.49 3mgs h LEU 37 Cb 0.27 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 3mgs h LEU 37 CO -0.25 -0.34 0.05 0.00 0.09 0.00 0.00 178.44 177.99 3mgs h ALA 38 N 0.22 0.97 0.32 1.53 0.00 -1.03 -0.90 119.26 120.37 3mgs h ALA 38 Ca 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3mgs h ALA 38 Cb 0.48 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mgs h ALA 38 CO -0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 179.25 178.55 3mgs h ARG 39 N 0.11 -0.41 -0.76 0.00 2.47 -0.73 0.21 114.38 115.27 3mgs h ARG 39 Ca 0.48 0.03 0.22 0.00 -1.26 0.00 0.00 59.98 59.45 3mgs h ARG 39 Cb 0.92 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.30 3mgs h ARG 39 CO -0.73 -0.22 0.57 -0.09 0.56 0.00 0.00 179.97 180.07 3mgs h ARG 40 N -0.51 0.00 -0.14 0.04 2.43 -0.65 0.38 114.38 115.94 3mgs h ARG 40 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3mgs h ARG 40 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3mgs h ARG 40 CO 0.07 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.94 3mgs n GLY 41 N -1.67 -0.11 1.21 2.80 0.00 -0.08 -4.91 105.19 102.43 3mgs n GLY 41 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mgs n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgs n GLY 42 N 0.97 0.73 3.72 -0.02 0.00 0.14 -5.03 105.19 105.68 3mgs n GLY 42 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mgs n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgs s VAL 43 N -2.68 4.38 -0.24 1.61 1.01 -0.40 -4.96 120.40 119.12 3mgs s VAL 43 Ca 0.00 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 3mgs s VAL 43 Cb 0.00 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 3mgs s VAL 43 CO 0.00 0.16 -0.14 1.17 0.00 0.00 0.00 175.10 176.29 3mgs n LYS 44 N 3.70 0.65 -4.34 2.72 4.81 -1.26 -4.30 118.16 120.14 3mgs n LYS 44 Ca 0.07 0.22 -0.23 0.00 -0.87 0.00 0.00 58.31 57.50 3mgs n LYS 44 Cb 0.48 -1.56 -0.17 0.00 0.02 0.00 0.00 35.03 33.81 3mgs n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3mgs s ARG 45 N -2.51 1.31 -0.14 1.64 3.52 -1.26 -5.12 118.95 116.39 3mgs s ARG 45 Ca -0.34 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 3mgs s ARG 45 Cb 0.10 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.32 3mgs s ARG 45 CO 0.60 -0.05 -0.19 0.42 -0.81 0.00 0.00 175.30 175.27 3mgs s ILE 46 N 0.88 1.86 0.44 4.11 1.01 -1.26 -5.11 121.20 123.13 3mgs s ILE 46 Ca -0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 3mgs s ILE 46 Cb -0.15 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 3mgs s ILE 46 CO 0.01 0.51 1.17 -0.55 0.00 0.00 0.00 174.94 176.08 3mgs s SER 47 N 0.98 6.26 0.45 3.58 0.15 -1.26 -4.92 113.70 118.94 3mgs s SER 47 Ca -0.04 2.32 0.18 0.00 0.70 0.00 0.00 55.95 59.11 3mgs s SER 47 Cb -0.15 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.69 3mgs s SER 47 CO -0.04 -0.85 1.95 1.23 1.20 0.00 0.00 173.24 176.73 3mgs h GLY 48 N 2.21 0.50 1.99 9.45 0.00 -2.06 -1.36 103.07 113.80 3mgs h GLY 48 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3mgs h GLY 48 CO 0.61 0.05 0.00 1.04 0.00 0.00 0.00 176.54 178.24 3mgs n LEU 49 N -4.45 0.00 -0.21 3.11 4.77 -1.26 -3.85 117.00 115.12 3mgs n LEU 49 Ca 0.12 0.49 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 3mgs n LEU 49 Cb 0.52 -0.49 0.18 0.00 -2.33 0.00 0.00 43.42 41.29 3mgs n LEU 49 CO 0.34 -0.04 1.10 0.40 -1.33 0.00 0.00 177.39 177.86 3mgs h ILE 50 N 0.00 1.22 -0.44 -0.08 1.08 -1.62 -2.64 117.51 115.03 3mgs h ILE 50 Ca 0.00 -0.64 -0.07 0.00 -0.39 0.00 0.00 64.86 63.75 3mgs h ILE 50 Cb 0.45 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3mgs h ILE 50 CO 0.00 0.27 -0.01 1.88 -0.69 0.00 0.00 178.15 179.60 3mgs h TYR 51 N 0.98 0.85 0.12 1.37 0.05 -1.78 0.39 116.97 118.96 3mgs h TYR 51 Ca 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3mgs h TYR 51 Cb 0.12 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3mgs h TYR 51 CO 0.01 0.84 -0.06 0.93 -1.05 0.00 0.00 178.16 178.83 3mgs h GLU 52 N 0.62 -0.16 -0.65 4.88 4.39 -1.80 -2.03 114.58 119.82 3mgs h GLU 52 Ca 0.12 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.96 3mgs h GLU 52 Cb 0.51 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.10 3mgs h GLU 52 CO 0.02 0.05 0.19 1.49 -1.16 0.00 0.00 179.01 179.60 3mgs h GLU 53 N -0.35 0.32 -0.22 2.33 4.57 -1.14 -2.63 114.58 117.45 3mgs h GLU 53 Ca -0.02 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3mgs h GLU 53 Cb 0.29 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3mgs h GLU 53 CO 0.03 0.21 0.13 1.15 -1.18 0.00 0.00 179.01 179.35 3mgs h THR 54 N 0.33 1.08 -0.61 0.32 2.02 -0.10 -2.19 112.91 113.76 3mgs h THR 54 Ca 0.35 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.38 3mgs h THR 54 Cb 0.52 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3mgs h THR 54 CO -0.40 0.08 0.34 0.03 0.37 0.00 0.00 175.52 175.94 3mgs h ARG 55 N 0.27 0.63 -0.72 6.66 3.08 -1.05 0.06 114.38 123.31 3mgs h ARG 55 Ca 0.08 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3mgs h ARG 55 Cb 0.01 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 29.84 3mgs h ARG 55 CO -0.02 0.41 0.32 0.78 -1.07 0.00 0.00 179.97 180.40 3mgs h GLY 56 N 0.64 1.08 1.04 0.04 0.00 -1.13 0.15 103.07 104.90 3mgs h GLY 56 Ca 0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3mgs h GLY 56 CO -0.16 -0.01 0.02 -2.08 0.00 0.00 0.00 176.54 174.31 3mgs h VAL 57 N 0.52 1.26 -0.22 4.60 2.07 -0.53 -2.29 116.25 121.66 3mgs h VAL 57 Ca 0.37 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 3mgs h VAL 57 Cb 0.47 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3mgs h VAL 57 CO -0.33 0.39 -0.43 0.25 0.02 0.00 0.00 177.57 177.48 3mgs h LEU 58 N 0.86 0.57 -0.19 2.57 5.85 -0.29 -1.49 115.31 123.20 3mgs h LEU 58 Ca 0.16 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3mgs h LEU 58 Cb 0.52 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3mgs h LEU 58 CO 0.03 0.93 0.12 0.50 -0.34 0.00 0.00 178.44 179.67 3mgs h LYS 59 N 0.43 0.25 -0.57 1.25 3.64 -0.52 -1.62 116.57 119.44 3mgs h LYS 59 Ca 0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3mgs h LYS 59 Cb 0.93 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 3mgs h LYS 59 CO 0.08 0.19 0.24 0.28 -2.27 0.00 0.00 179.45 177.97 3mgs h VAL 60 N 0.25 1.20 0.61 2.00 2.07 -1.06 0.19 116.25 121.50 3mgs h VAL 60 Ca 0.07 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3mgs h VAL 60 Cb -0.01 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3mgs h VAL 60 CO -0.01 0.24 -0.29 0.15 0.02 0.00 0.00 177.57 177.68 3mgs h PHE 61 N 0.80 -0.76 -0.63 1.57 3.57 -0.98 -2.05 116.94 118.47 3mgs h PHE 61 Ca 0.19 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3mgs h PHE 61 Cb 0.14 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3mgs h PHE 61 CO 0.01 -0.47 0.23 -0.07 -2.23 0.00 0.00 178.31 175.78 3mgs h LEU 62 N -0.82 0.89 -0.27 0.59 3.38 -0.83 -1.08 115.31 117.17 3mgs h LEU 62 Ca -0.08 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3mgs h LEU 62 Cb 0.63 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3mgs h LEU 62 CO 0.14 0.84 -0.15 -0.33 0.09 0.00 0.00 178.44 179.02 3mgs h GLU 63 N 0.90 -0.12 -0.49 1.13 5.08 -0.95 0.43 114.58 120.56 3mgs h GLU 63 Ca 0.21 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3mgs h GLU 63 Cb 0.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3mgs h GLU 63 CO -0.01 -0.08 0.29 -0.91 -1.00 0.00 0.00 179.01 177.29 3mgs h ASN 64 N -0.12 0.59 -0.05 1.42 2.35 -0.61 -1.53 115.58 117.63 3mgs h ASN 64 Ca 0.15 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3mgs h ASN 64 Cb 0.35 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3mgs h ASN 64 CO -0.35 0.49 -0.14 0.58 -1.65 0.00 0.00 177.43 176.35 3mgs h VAL 65 N 0.65 1.45 -0.27 2.81 2.07 -0.87 -3.21 116.25 118.87 3mgs h VAL 65 Ca 0.17 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3mgs h VAL 65 Cb 0.01 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3mgs h VAL 65 CO -0.03 0.42 0.15 0.40 0.02 0.00 0.00 177.57 178.53 3mgs h ILE 66 N -0.35 1.13 -0.56 4.57 2.04 -0.07 -1.09 117.51 123.18 3mgs h ILE 66 Ca -0.00 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.62 3mgs h ILE 66 Cb 0.76 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 3mgs h ILE 66 CO 0.03 0.12 -0.37 -0.09 0.00 0.00 0.00 178.15 177.85 3mgs h ARG 67 N 0.33 -0.19 -0.66 2.37 2.43 -1.38 0.67 114.38 117.94 3mgs h ARG 67 Ca 0.10 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3mgs h ARG 67 Cb 0.07 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3mgs h ARG 67 CO -0.02 -0.13 0.29 -0.44 -1.51 0.00 0.00 179.97 178.17 3mgs h ASP 68 N -0.20 0.88 -0.44 -3.80 5.19 -1.47 -0.76 116.42 115.83 3mgs h ASP 68 Ca 0.21 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3mgs h ASP 68 Cb 0.56 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 3mgs h ASP 68 CO -0.66 0.79 0.13 0.00 -3.12 0.00 0.00 179.24 176.37 3mgs h ALA 69 N 1.13 0.58 -0.23 3.45 0.00 0.02 -2.18 119.26 122.02 3mgs h ALA 69 Ca 0.22 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3mgs h ALA 69 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3mgs h ALA 69 CO -0.02 0.24 -0.23 0.28 0.00 0.00 0.00 179.25 179.52 3mgs h VAL 70 N 0.57 1.25 0.00 0.00 2.07 0.63 -1.89 116.25 118.88 3mgs h VAL 70 Ca 0.14 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3mgs h VAL 70 Cb 0.28 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3mgs h VAL 70 CO -0.00 0.37 -0.25 0.74 0.02 0.00 0.00 177.57 178.46 3mgs h THR 71 N 0.38 0.81 -0.15 2.57 2.02 -0.66 0.14 112.91 118.02 3mgs h THR 71 Ca 0.06 -0.98 -0.22 0.00 0.77 0.00 0.00 66.41 66.04 3mgs h THR 71 Cb 0.61 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3mgs h THR 71 CO 0.04 0.24 -0.77 1.88 0.37 0.00 0.00 175.52 177.28 3mgs h TYR 72 N 0.00 1.03 -0.07 3.16 0.99 -0.77 -2.74 116.97 118.57 3mgs h TYR 72 Ca -0.00 -0.45 0.02 0.00 2.00 0.00 0.00 58.73 60.29 3mgs h TYR 72 Cb 0.58 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.13 3mgs h TYR 72 CO 0.00 1.28 -0.03 1.15 -0.00 0.00 0.00 178.16 180.56 3mgs h THR 73 N 0.52 0.89 -0.83 -2.88 2.02 -0.30 -2.37 112.91 109.96 3mgs h THR 73 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3mgs h THR 73 Cb 1.39 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 3mgs h THR 73 CO 0.16 0.00 0.54 -0.33 0.37 0.00 0.00 175.52 176.26 3mgs h GLU 74 N -0.03 1.07 -0.80 6.66 5.08 -0.85 -1.85 114.58 123.87 3mgs h GLU 74 Ca 0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3mgs h GLU 74 Cb 0.09 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 3mgs h GLU 74 CO -0.09 0.71 0.52 1.25 -1.00 0.00 0.00 179.01 180.39 3mgs h HIS 75 N 1.10 0.97 -0.06 4.33 2.76 -1.26 -0.20 115.15 122.80 3mgs h HIS 75 Ca 0.31 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3mgs h HIS 75 Cb -0.10 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.53 3mgs h HIS 75 CO -0.02 0.57 0.00 0.00 -1.30 0.00 0.00 177.93 177.19 3mgs n ALA 76 N -2.33 2.52 -3.66 5.26 0.00 -0.73 -4.89 120.51 116.67 3mgs n ALA 76 Ca 0.09 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 3mgs n ALA 76 Cb 0.07 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.49 3mgs n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgs n LYS 77 N -0.38 -5.42 -4.51 0.00 5.02 -0.09 -5.00 118.16 107.78 3mgs n LYS 77 Ca 0.06 0.67 -0.24 0.00 -2.02 0.00 0.00 58.31 56.77 3mgs n LYS 77 Cb 0.07 -5.37 -0.11 0.00 -0.02 0.00 0.00 35.03 29.61 3mgs n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgs s ARG 78 N -5.93 1.73 0.00 1.97 0.52 -1.05 -5.03 118.95 111.17 3mgs s ARG 78 Ca 0.08 -1.92 0.06 0.00 -0.52 0.00 0.00 55.73 53.43 3mgs s ARG 78 Cb -0.04 -1.39 0.05 0.00 0.52 0.00 0.00 34.95 34.09 3mgs s ARG 78 CO 0.79 0.02 0.70 1.63 0.02 0.00 0.00 175.30 178.47 3mgs n LYS 79 N -0.74 -0.09 -4.23 3.54 5.02 -1.26 -4.62 118.16 115.77 3mgs n LYS 79 Ca -0.05 -0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 55.03 3mgs n LYS 79 Cb 0.65 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.39 3mgs n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mgs s THR 80 N -0.50 2.83 -0.11 -0.18 2.01 -1.26 -5.09 115.64 113.33 3mgs s THR 80 Ca 0.07 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3mgs s THR 80 Cb 0.05 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 3mgs s THR 80 CO 0.07 0.49 1.47 -0.69 -0.69 0.00 0.00 174.62 175.27 3mgs s VAL 81 N 1.12 3.92 0.31 3.82 1.01 -1.26 -4.93 120.40 124.38 3mgs s VAL 81 Ca 0.01 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.10 3mgs s VAL 81 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3mgs s VAL 81 CO -0.04 -0.11 0.50 0.42 0.00 0.00 0.00 175.10 175.87 3mgs s THR 82 N 3.83 5.14 0.29 3.92 -4.23 -1.26 -4.99 115.64 118.35 3mgs s THR 82 Ca 0.64 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3mgs s THR 82 Cb -0.27 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.00 3mgs s THR 82 CO 0.22 -0.47 1.88 0.00 -0.54 0.00 0.00 174.62 175.71 3mgs h ALA 83 N 0.98 1.51 -0.79 3.99 0.00 -1.95 0.09 119.26 123.09 3mgs h ALA 83 Ca -0.50 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.44 3mgs h ALA 83 Cb 1.22 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3mgs h ALA 83 CO 0.62 0.30 0.52 0.52 0.00 0.00 0.00 179.25 181.21 3mgs h MET 84 N 1.03 0.94 -0.77 0.00 2.86 -1.94 0.60 114.93 117.65 3mgs h MET 84 Ca 0.44 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.11 3mgs h MET 84 Cb 0.33 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3mgs h MET 84 CO -0.20 0.62 0.42 -0.44 1.06 0.00 0.00 176.91 178.38 3mgs h ASP 85 N 0.97 0.59 0.10 1.22 3.32 -1.32 0.11 116.42 121.41 3mgs h ASP 85 Ca 0.32 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 3mgs h ASP 85 Cb 0.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3mgs h ASP 85 CO -0.09 0.34 -0.05 0.58 -1.72 0.00 0.00 179.24 178.31 3mgs h VAL 86 N 0.72 1.14 -0.36 -1.35 2.07 -1.06 -3.03 116.25 114.38 3mgs h VAL 86 Ca 0.37 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3mgs h VAL 86 Cb 0.34 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 3mgs h VAL 86 CO -0.24 0.27 -0.20 0.58 0.02 0.00 0.00 177.57 178.00 3mgs h VAL 87 N -0.69 0.43 -0.74 2.57 2.07 -0.64 0.18 116.25 119.42 3mgs h VAL 87 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3mgs h VAL 87 Cb 0.54 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3mgs h VAL 87 CO 0.02 0.00 0.49 1.88 0.02 0.00 0.00 177.57 179.98 3mgs h TYR 88 N -0.14 0.84 -0.09 1.57 0.99 -0.88 0.65 116.97 119.91 3mgs h TYR 88 Ca 0.18 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.76 3mgs h TYR 88 Cb 0.42 -0.28 0.01 0.00 1.00 0.00 0.00 36.73 37.88 3mgs h TYR 88 CO -0.42 0.46 -0.63 0.00 -0.00 0.00 0.00 178.16 177.57 3mgs h ALA 89 N 1.58 0.20 -0.17 3.88 0.00 -1.10 -2.10 119.26 121.56 3mgs h ALA 89 Ca 0.31 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3mgs h ALA 89 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3mgs h ALA 89 CO -0.10 0.48 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 3mgs h LEU 90 N 0.22 -0.02 -0.70 0.00 3.38 -0.32 0.03 115.31 117.90 3mgs h LEU 90 Ca -0.05 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3mgs h LEU 90 Cb 1.28 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 3mgs h LEU 90 CO 0.13 0.02 0.28 0.50 0.09 0.00 0.00 178.44 179.45 3mgs h LYS 91 N 0.09 0.43 0.00 1.13 3.64 -0.78 0.10 116.57 121.18 3mgs h LYS 91 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3mgs h LYS 91 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3mgs h LYS 91 CO -0.11 0.29 -0.12 2.89 -2.27 0.00 0.00 179.45 180.13 3mgs n ARG 92 N -4.99 0.16 0.00 1.90 1.85 -0.80 -1.90 116.66 112.88 3mgs n ARG 92 Ca 0.12 0.11 0.09 0.00 -1.00 0.00 0.00 57.85 57.17 3mgs n ARG 92 Cb 0.35 -1.67 0.52 0.00 -1.05 0.00 0.00 32.46 30.61 3mgs n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mgs n GLN 93 N -1.94 0.92 -2.21 2.89 1.13 0.13 -4.88 117.38 113.43 3mgs n GLN 93 Ca 0.06 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.98 3mgs n GLN 93 Cb 0.40 -1.30 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 3mgs n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgs n GLY 94 N 0.67 -0.10 2.50 1.08 0.00 -0.80 -4.95 105.19 103.59 3mgs n GLY 94 Ca 0.13 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3mgs n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgs n ARG 95 N -2.36 2.81 -1.47 1.61 1.74 0.07 -5.01 116.66 114.04 3mgs n ARG 95 Ca -0.16 -4.12 -0.51 0.00 -0.77 0.00 0.00 57.85 52.28 3mgs n ARG 95 Cb 0.62 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3mgs n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3mgs n THR 96 N -0.40 1.25 -4.98 0.55 -1.04 -1.25 -4.39 114.28 104.02 3mgs n THR 96 Ca 0.31 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3mgs n THR 96 Cb 0.73 -0.23 -0.17 0.00 -1.82 0.00 0.00 70.33 68.85 3mgs n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mgs s LEU 97 N 1.56 1.93 -0.14 -4.42 2.96 -1.26 -4.96 118.68 114.35 3mgs s LEU 97 Ca 0.73 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 3mgs s LEU 97 Cb -0.99 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3mgs s LEU 97 CO 0.56 0.13 0.19 -0.31 -1.32 0.00 0.00 176.35 175.60 3mgs s TYR 98 N 0.37 3.53 0.00 5.38 1.51 -1.26 -4.62 117.35 122.25 3mgs s TYR 98 Ca -0.15 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.43 3mgs s TYR 98 Cb -0.16 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 3mgs s TYR 98 CO 0.06 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 3mgs n GLY 99 N 2.72 1.30 0.27 0.71 0.00 -1.26 -4.98 105.19 103.95 3mgs n GLY 99 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3mgs n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mgs n PHE 100 N -0.19 0.00 0.78 1.61 3.01 -1.26 -4.82 117.46 116.58 3mgs n PHE 100 Ca 0.00 -0.45 0.02 0.00 1.01 0.00 0.00 57.45 58.02 3mgs n PHE 100 Cb 0.00 -0.09 0.08 0.00 -0.01 0.00 0.00 39.48 39.46 3mgs n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgs n GLY 101 N -0.64 1.44 0.00 1.37 0.00 -1.26 -4.55 105.19 101.54 3mgs n GLY 101 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3mgs n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93