#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3g h ASN 25 N 0.00 0.64 -0.02 1.67 2.35 -2.04 -3.17 115.58 115.01 1p3g h ASN 25 Ca 0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1p3g h ASN 25 Cb 0.00 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1p3g h ASN 25 CO 0.00 1.34 0.01 -0.29 -1.65 0.00 0.00 177.43 176.84 1p3g h ILE 26 N 0.01 1.02 0.00 2.81 6.09 -2.01 1.00 117.51 126.43 1p3g h ILE 26 Ca -0.10 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1p3g h ILE 26 Cb 1.49 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.76 1p3g h ILE 26 CO 0.15 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 175.25 1p3g n GLN 27 N -4.52 0.17 0.22 2.19 1.13 -1.20 -1.66 117.38 113.71 1p3g n GLN 27 Ca -0.03 0.12 0.15 0.00 -1.94 0.00 0.00 57.00 55.30 1p3g n GLN 27 Cb 0.10 -1.50 0.49 0.00 0.11 0.00 0.00 30.24 29.43 1p3g n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3g h GLY 28 N 3.39 0.00 -7.29 1.08 0.00 0.11 -3.35 103.07 97.00 1p3g h GLY 28 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1p3g h GLY 28 CO 0.00 0.00 0.98 -0.42 0.00 0.00 0.00 176.54 177.10 1p3g s ILE 29 N -3.42 4.26 0.62 2.60 -1.09 -0.66 -4.98 121.20 118.53 1p3g s ILE 29 Ca 0.04 -0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 57.54 1p3g s ILE 29 Cb 0.08 -4.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.09 1p3g s ILE 29 CO 0.56 -1.66 1.07 0.42 -1.23 0.00 0.00 174.94 174.09 1p3g s THR 30 N 4.09 3.71 0.18 2.92 -4.23 -1.26 -4.87 115.64 116.17 1p3g s THR 30 Ca 0.34 0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 61.43 1p3g s THR 30 Cb -0.07 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.57 1p3g s THR 30 CO -0.01 -0.51 1.61 0.50 -0.54 0.00 0.00 174.62 175.67 1p3g h LYS 31 N 0.22 -0.15 -0.67 3.99 3.64 -1.93 -0.64 116.57 121.04 1p3g h LYS 31 Ca -0.46 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1p3g h LYS 31 Cb 1.22 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1p3g h LYS 31 CO 0.57 -0.10 0.44 -1.35 -2.27 0.00 0.00 179.45 176.74 1p3g h PRO 32 N -0.15 0.43 -0.03 1.90 0.11 -1.98 0.24 132.00 132.52 1p3g h PRO 32 Ca 0.21 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 1p3g h PRO 32 Cb 0.49 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1p3g h PRO 32 CO -0.56 0.29 -0.61 0.00 -0.21 0.00 0.00 178.00 176.90 1p3g h ALA 33 N 1.67 0.11 -0.73 -0.75 0.00 -1.55 -1.39 119.26 116.61 1p3g h ALA 33 Ca 0.31 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1p3g h ALA 33 Cb 0.62 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1p3g h ALA 33 CO -0.09 0.38 0.31 0.82 0.00 0.00 0.00 179.25 180.67 1p3g h ILE 34 N -0.01 1.25 -0.80 0.00 2.04 -0.54 -0.67 117.51 118.78 1p3g h ILE 34 Ca -0.07 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1p3g h ILE 34 Cb 1.30 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1p3g h ILE 34 CO 0.12 0.31 0.46 -0.09 0.00 0.00 0.00 178.15 178.94 1p3g h ARG 35 N 1.05 1.11 -0.72 2.37 2.43 -0.55 -1.24 114.38 118.83 1p3g h ARG 35 Ca 0.25 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1p3g h ARG 35 Cb 0.18 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1p3g h ARG 35 CO -0.02 0.80 0.40 0.00 -1.51 0.00 0.00 179.97 179.64 1p3g h ARG 36 N 1.11 1.00 0.59 0.20 3.08 -0.35 -1.28 114.38 118.73 1p3g h ARG 36 Ca 0.28 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1p3g h ARG 36 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1p3g h ARG 36 CO -0.05 0.74 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.23 1p3g h LEU 37 N 0.99 -0.69 -0.91 3.04 3.38 -0.60 -1.96 115.31 118.57 1p3g h LEU 37 Ca 0.25 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.50 1p3g h LEU 37 Cb 0.02 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 1p3g h LEU 37 CO -0.04 -0.48 0.34 0.00 0.09 0.00 0.00 178.44 178.35 1p3g h ALA 38 N -0.38 1.46 0.26 1.53 0.00 -1.03 -0.24 119.26 120.86 1p3g h ALA 38 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1p3g h ALA 38 Cb 0.61 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1p3g h ALA 38 CO 0.13 -0.45 -0.17 0.00 0.00 0.00 0.00 179.25 178.76 1p3g h ARG 39 N 0.28 -0.40 -0.11 0.00 2.47 -0.77 -0.49 114.38 115.36 1p3g h ARG 39 Ca 0.59 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.37 1p3g h ARG 39 Cb 1.21 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1p3g h ARG 39 CO -0.61 -0.27 0.12 -0.09 0.56 0.00 0.00 179.97 179.68 1p3g h ARG 40 N -0.42 0.00 -0.00 0.04 2.43 -0.35 0.58 114.38 116.66 1p3g h ARG 40 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1p3g h ARG 40 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1p3g h ARG 40 CO 0.02 0.00 -0.01 0.41 -1.51 0.00 0.00 179.97 178.89 1p3g n GLY 41 N -1.37 -0.75 1.25 2.80 0.00 -0.32 -4.92 105.19 101.88 1p3g n GLY 41 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1p3g n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3g n GLY 42 N 1.07 0.62 3.70 -0.02 0.00 0.20 -5.05 105.19 105.71 1p3g n GLY 42 Ca 0.22 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1p3g n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3g s VAL 43 N -2.00 5.12 -0.17 1.61 1.01 -0.45 -4.98 120.40 120.54 1p3g s VAL 43 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1p3g s VAL 43 Cb 0.00 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 1p3g s VAL 43 CO 0.00 0.26 0.14 1.17 0.00 0.00 0.00 175.10 176.67 1p3g n LYS 44 N 4.08 0.71 -4.48 2.72 4.81 -1.26 -4.36 118.16 120.38 1p3g n LYS 44 Ca -0.05 0.21 -0.23 0.00 -0.87 0.00 0.00 58.31 57.38 1p3g n LYS 44 Cb 0.51 -1.64 -0.16 0.00 0.02 0.00 0.00 35.03 33.76 1p3g n LYS 44 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1p3g s GLU 45 N -2.54 1.38 -0.21 1.64 2.12 -1.26 -5.13 118.70 114.69 1p3g s GLU 45 Ca -0.26 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1p3g s GLU 45 Cb 0.08 -1.19 0.03 0.00 0.26 0.00 0.00 34.13 33.30 1p3g s GLU 45 CO 0.71 0.04 -0.15 0.42 -0.54 0.00 0.00 175.26 175.73 1p3g s ILE 46 N 0.57 2.21 0.49 -3.70 1.01 -1.26 -5.11 121.20 115.41 1p3g s ILE 46 Ca -0.11 -1.17 -0.24 0.00 0.00 0.00 0.00 60.65 59.13 1p3g s ILE 46 Cb -0.14 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 1p3g s ILE 46 CO 0.02 0.31 1.37 -0.55 0.00 0.00 0.00 174.94 176.09 1p3g s SER 47 N 1.23 5.65 0.52 3.58 0.15 -1.26 -4.89 113.70 118.68 1p3g s SER 47 Ca -0.00 2.79 0.20 0.00 0.70 0.00 0.00 55.95 59.64 1p3g s SER 47 Cb -0.16 -2.64 1.33 0.00 -1.71 0.00 0.00 66.02 62.84 1p3g s SER 47 CO -0.09 -1.32 2.08 1.23 1.20 0.00 0.00 173.24 176.34 1p3g h GLY 48 N 1.93 0.01 2.00 9.45 0.00 -2.05 -2.09 103.07 112.32 1p3g h GLY 48 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1p3g h GLY 48 CO 0.59 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.17 1p3g n LEU 49 N -4.46 0.34 -0.22 3.11 4.77 -1.26 -3.95 117.00 115.33 1p3g n LEU 49 Ca 0.03 0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1p3g n LEU 49 Cb 0.34 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1p3g n LEU 49 CO 0.35 -0.13 1.10 0.40 -1.33 0.00 0.00 177.39 177.78 1p3g h ILE 50 N 0.00 1.04 -0.04 -0.08 1.08 -1.75 -2.99 117.51 114.77 1p3g h ILE 50 Ca 0.00 -0.25 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1p3g h ILE 50 Cb 0.55 0.25 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1p3g h ILE 50 CO 0.00 0.13 -0.47 1.88 -0.69 0.00 0.00 178.15 179.00 1p3g h TYR 51 N 0.72 -1.36 -0.24 1.37 0.05 -1.78 0.40 116.97 116.14 1p3g h TYR 51 Ca 0.26 0.05 0.03 0.00 0.05 0.00 0.00 58.73 59.12 1p3g h TYR 51 Cb 0.07 0.60 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1p3g h TYR 51 CO -0.06 -0.53 0.03 0.93 -1.05 0.00 0.00 178.16 177.48 1p3g h GLU 52 N -0.59 0.11 -0.88 4.88 4.39 -1.82 -1.86 114.58 118.81 1p3g h GLU 52 Ca 0.04 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.91 1p3g h GLU 52 Cb 0.68 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.20 1p3g h GLU 52 CO -0.36 0.07 0.44 1.49 -1.16 0.00 0.00 179.01 179.50 1p3g h GLU 53 N 0.12 0.56 -0.40 2.33 4.57 -1.15 -1.72 114.58 118.88 1p3g h GLU 53 Ca 0.11 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1p3g h GLU 53 Cb 0.12 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1p3g h GLU 53 CO -0.16 0.37 0.08 1.15 -1.18 0.00 0.00 179.01 179.28 1p3g h THR 54 N 0.58 1.24 -0.26 0.32 2.02 0.55 -2.44 112.91 114.92 1p3g h THR 54 Ca 0.50 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1p3g h THR 54 Cb 0.79 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1p3g h THR 54 CO -0.41 0.29 0.12 0.03 0.37 0.00 0.00 175.52 175.92 1p3g h ARG 55 N 0.52 0.25 -0.64 6.66 3.08 -0.78 0.30 114.38 123.76 1p3g h ARG 55 Ca 0.12 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.24 1p3g h ARG 55 Cb 0.34 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1p3g h ARG 55 CO 0.00 0.16 0.43 0.78 -1.07 0.00 0.00 179.97 180.28 1p3g h GLY 56 N 0.25 0.73 0.46 0.04 0.00 -1.33 0.86 103.07 104.09 1p3g h GLY 56 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1p3g h GLY 56 CO -0.09 0.14 -0.08 -2.08 0.00 0.00 0.00 176.54 174.43 1p3g h VAL 57 N 0.54 1.48 -0.95 4.60 2.07 -0.82 -2.43 116.25 120.73 1p3g h VAL 57 Ca 0.29 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1p3g h VAL 57 Cb 0.43 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 1p3g h VAL 57 CO -0.09 0.41 0.62 0.25 0.02 0.00 0.00 177.57 178.78 1p3g h LEU 58 N -0.49 1.00 -0.12 2.57 5.85 0.12 -1.20 115.31 123.05 1p3g h LEU 58 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1p3g h LEU 58 Cb 0.71 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1p3g h LEU 58 CO 0.02 0.67 0.07 0.50 -0.34 0.00 0.00 178.44 179.35 1p3g h LYS 59 N 1.15 0.16 -0.87 1.25 3.64 0.67 -1.71 116.57 120.87 1p3g h LYS 59 Ca 0.40 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1p3g h LYS 59 Cb 0.10 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1p3g h LYS 59 CO -0.14 0.16 0.56 0.28 -2.27 0.00 0.00 179.45 178.04 1p3g h VAL 60 N 0.11 1.16 0.37 2.00 2.07 -0.86 -1.42 116.25 119.69 1p3g h VAL 60 Ca 0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1p3g h VAL 60 Cb 0.04 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1p3g h VAL 60 CO -0.01 0.20 -0.39 0.15 0.02 0.00 0.00 177.57 177.54 1p3g h PHE 61 N 1.10 -1.07 -0.98 1.57 3.57 -0.90 -1.50 116.94 118.73 1p3g h PHE 61 Ca 0.34 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.89 1p3g h PHE 61 Cb -0.02 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1p3g h PHE 61 CO -0.02 -0.54 0.64 -0.07 -2.23 0.00 0.00 178.31 176.09 1p3g h LEU 62 N -0.80 1.06 -0.11 0.59 3.38 -1.02 -1.84 115.31 116.57 1p3g h LEU 62 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1p3g h LEU 62 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1p3g h LEU 62 CO -0.08 0.72 0.06 -0.33 0.09 0.00 0.00 178.44 178.91 1p3g h GLU 63 N 1.23 0.15 -0.69 1.13 5.08 -1.07 0.27 114.58 120.68 1p3g h GLU 63 Ca 0.39 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1p3g h GLU 63 Cb 0.02 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1p3g h GLU 63 CO -0.13 0.17 0.40 -0.91 -1.00 0.00 0.00 179.01 177.54 1p3g h ASN 64 N 0.09 0.61 -0.00 1.42 2.35 -0.76 -0.93 115.58 118.36 1p3g h ASN 64 Ca 0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1p3g h ASN 64 Cb 0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1p3g h ASN 64 CO -0.01 0.40 -0.02 0.58 -1.65 0.00 0.00 177.43 176.73 1p3g h VAL 65 N 0.74 1.55 -0.72 2.81 2.07 -0.99 -3.17 116.25 118.55 1p3g h VAL 65 Ca 0.30 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1p3g h VAL 65 Cb 0.15 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1p3g h VAL 65 CO -0.17 0.43 0.47 0.40 0.02 0.00 0.00 177.57 178.73 1p3g h ILE 66 N -0.67 1.18 -0.95 4.57 2.04 -0.49 -0.65 117.51 122.55 1p3g h ILE 66 Ca -0.00 -0.33 0.12 0.00 1.00 0.00 0.00 64.86 65.65 1p3g h ILE 66 Cb 0.73 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1p3g h ILE 66 CO 0.00 0.18 0.61 -0.09 0.00 0.00 0.00 178.15 178.85 1p3g h ARG 67 N 0.97 0.88 -0.04 2.37 2.43 -1.24 0.34 114.38 120.08 1p3g h ARG 67 Ca 0.26 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.14 1p3g h ARG 67 Cb -0.11 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1p3g h ARG 67 CO -0.06 0.58 -0.93 -0.44 -1.51 0.00 0.00 179.97 177.61 1p3g h ASP 68 N 0.90 0.80 0.42 -3.80 3.32 -1.31 -2.69 116.42 114.07 1p3g h ASP 68 Ca 0.47 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1p3g h ASP 68 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1p3g h ASP 68 CO -0.23 1.40 -0.20 0.00 -1.72 0.00 0.00 179.24 178.49 1p3g h ALA 69 N 0.56 -0.57 -0.57 3.45 0.00 0.02 -2.37 119.26 119.79 1p3g h ALA 69 Ca -0.09 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1p3g h ALA 69 Cb 1.57 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1p3g h ALA 69 CO 0.18 -0.73 0.41 0.28 0.00 0.00 0.00 179.25 179.38 1p3g h VAL 70 N -0.74 0.74 -0.11 0.00 2.07 -0.46 0.37 116.25 118.12 1p3g h VAL 70 Ca -0.06 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1p3g h VAL 70 Cb 0.52 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1p3g h VAL 70 CO 0.10 0.01 -0.34 0.74 0.02 0.00 0.00 177.57 178.10 1p3g h THR 71 N 0.06 1.28 -0.00 2.57 2.02 -1.08 -1.64 112.91 116.11 1p3g h THR 71 Ca 0.27 -1.33 -0.17 0.00 0.77 0.00 0.00 66.41 65.96 1p3g h THR 71 Cb 1.00 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1p3g h THR 71 CO -0.02 0.40 -0.77 1.88 0.37 0.00 0.00 175.52 177.37 1p3g h TYR 72 N 0.20 0.09 0.78 3.16 0.99 0.14 -2.03 116.97 120.30 1p3g h TYR 72 Ca 0.02 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1p3g h TYR 72 Cb 0.70 -0.01 0.01 0.00 1.00 0.00 0.00 36.73 38.42 1p3g h TYR 72 CO 0.01 0.81 -0.37 1.15 -0.00 0.00 0.00 178.16 179.76 1p3g h THR 73 N 0.04 0.03 -0.99 -2.88 2.02 -0.35 -2.59 112.91 108.19 1p3g h THR 73 Ca -0.02 -0.22 0.11 0.00 0.77 0.00 0.00 66.41 67.05 1p3g h THR 73 Cb 1.36 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 1p3g h THR 73 CO 0.11 0.00 0.63 -0.33 0.37 0.00 0.00 175.52 176.30 1p3g h GLU 74 N -1.26 0.97 -0.90 6.66 5.08 -1.41 -0.15 114.58 123.57 1p3g h GLU 74 Ca -0.11 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1p3g h GLU 74 Cb 0.81 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1p3g h GLU 74 CO 0.18 0.64 0.58 1.25 -1.00 0.00 0.00 179.01 180.66 1p3g h HIS 75 N 1.00 1.00 -0.25 4.33 2.76 -1.22 0.33 115.15 123.10 1p3g h HIS 75 Ca 0.48 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.66 1p3g h HIS 75 Cb 0.46 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1p3g h HIS 75 CO -0.00 0.48 0.03 0.00 -1.30 0.00 0.00 177.93 177.14 1p3g n ALA 76 N -2.40 3.13 -4.00 5.26 0.00 -0.10 -4.90 120.51 117.51 1p3g n ALA 76 Ca 0.15 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 1p3g n ALA 76 Cb 0.27 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1p3g n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3g n LYS 77 N 0.21 -2.11 -4.47 0.00 5.02 0.11 -4.96 118.16 111.96 1p3g n LYS 77 Ca 0.12 0.31 -0.23 0.00 -2.02 0.00 0.00 58.31 56.50 1p3g n LYS 77 Cb 0.67 -4.03 -0.10 0.00 -0.02 0.00 0.00 35.03 31.54 1p3g n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3g s ARG 78 N -6.73 1.65 0.00 1.97 0.52 -1.04 -5.02 118.95 110.29 1p3g s ARG 78 Ca 0.14 -1.86 0.05 0.00 -0.52 0.00 0.00 55.73 53.54 1p3g s ARG 78 Cb -0.06 -1.26 0.10 0.00 0.52 0.00 0.00 34.95 34.25 1p3g s ARG 78 CO 0.92 0.02 0.94 1.63 0.02 0.00 0.00 175.30 178.82 1p3g n LYS 79 N -0.67 1.66 -3.98 3.54 5.02 -1.26 -4.36 118.16 118.11 1p3g n LYS 79 Ca -0.05 -1.38 -0.30 0.00 -2.02 0.00 0.00 58.31 54.56 1p3g n LYS 79 Cb 0.64 -1.12 -0.16 0.00 -0.02 0.00 0.00 35.03 34.38 1p3g n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3g s THR 80 N -0.78 1.58 0.17 -0.18 2.01 -1.26 -5.11 115.64 112.08 1p3g s THR 80 Ca 0.09 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 1p3g s THR 80 Cb 0.05 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 1p3g s THR 80 CO 0.07 0.13 1.46 -0.69 -0.69 0.00 0.00 174.62 174.90 1p3g s VAL 81 N 1.42 2.88 0.15 3.82 1.01 -1.26 -4.97 120.40 123.46 1p3g s VAL 81 Ca -0.02 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.69 1p3g s VAL 81 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1p3g s VAL 81 CO -0.08 0.07 0.03 0.42 0.00 0.00 0.00 175.10 175.54 1p3g s THR 82 N 0.76 3.96 0.35 3.92 -4.23 -1.26 -4.99 115.64 114.15 1p3g s THR 82 Ca 0.65 -1.25 0.14 0.00 -1.18 0.00 0.00 61.69 60.04 1p3g s THR 82 Cb -0.41 -2.98 0.34 0.00 1.34 0.00 0.00 72.50 70.80 1p3g s THR 82 CO 0.34 -0.06 1.72 0.00 -0.54 0.00 0.00 174.62 176.08 1p3g h ALA 83 N 2.78 1.99 -0.20 3.99 0.00 -1.94 0.60 119.26 126.48 1p3g h ALA 83 Ca -0.47 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1p3g h ALA 83 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1p3g h ALA 83 CO 0.60 -0.50 -0.40 0.52 0.00 0.00 0.00 179.25 179.47 1p3g h MET 84 N 0.45 0.47 -0.79 0.00 2.86 -1.95 0.23 114.93 116.19 1p3g h MET 84 Ca 0.67 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1p3g h MET 84 Cb 1.49 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 1p3g h MET 84 CO -0.46 0.79 0.48 -0.44 1.06 0.00 0.00 176.91 178.34 1p3g h ASP 85 N 0.39 0.95 -0.17 1.22 3.32 -0.19 0.19 116.42 122.13 1p3g h ASP 85 Ca 0.04 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1p3g h ASP 85 Cb 0.87 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1p3g h ASP 85 CO 0.07 0.73 -0.36 0.58 -1.72 0.00 0.00 179.24 178.54 1p3g h VAL 86 N 1.09 1.35 -0.71 -1.35 2.07 -0.88 -2.36 116.25 115.46 1p3g h VAL 86 Ca 0.29 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1p3g h VAL 86 Cb -0.05 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1p3g h VAL 86 CO -0.05 0.49 0.47 0.58 0.02 0.00 0.00 177.57 179.07 1p3g h VAL 87 N 0.18 1.17 -0.28 2.57 2.07 -0.70 0.40 116.25 121.66 1p3g h VAL 87 Ca 0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1p3g h VAL 87 Cb 0.96 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1p3g h VAL 87 CO 0.08 0.17 -0.15 1.88 0.02 0.00 0.00 177.57 179.58 1p3g h TYR 88 N 0.96 0.53 0.23 1.57 0.99 -0.63 -0.65 116.97 119.97 1p3g h TYR 88 Ca 0.26 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1p3g h TYR 88 Cb -0.10 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 37.49 1p3g h TYR 88 CO -0.03 0.62 -0.11 0.00 -0.00 0.00 0.00 178.16 178.65 1p3g h ALA 89 N 1.39 -0.31 -0.71 3.88 0.00 -0.81 -2.63 119.26 120.08 1p3g h ALA 89 Ca 0.08 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1p3g h ALA 89 Cb 0.52 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1p3g h ALA 89 CO 0.03 -0.45 0.24 -0.07 0.00 0.00 0.00 179.25 179.00 1p3g h LEU 90 N -0.75 0.18 -1.20 0.00 3.38 -0.13 -0.06 115.31 116.73 1p3g h LEU 90 Ca -0.03 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1p3g h LEU 90 Cb 0.50 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1p3g h LEU 90 CO 0.05 0.07 0.55 0.50 0.09 0.00 0.00 178.44 179.70 1p3g h LYS 91 N 0.38 1.05 0.00 1.13 3.64 -1.02 0.10 116.57 121.85 1p3g h LYS 91 Ca 0.38 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1p3g h LYS 91 Cb 0.58 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1p3g h LYS 91 CO -0.41 0.69 -0.29 0.00 -2.27 0.00 0.00 179.45 177.18 1p3g h ARG 92 N 1.08 0.00 -0.01 1.90 3.08 -0.67 -1.66 114.38 118.10 1p3g h ARG 92 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1p3g h ARG 92 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1p3g h ARG 92 CO -0.08 0.29 -0.01 1.04 -1.07 0.00 0.00 179.97 180.14 1p3g n GLN 93 N -3.67 1.24 -2.89 0.04 1.13 -0.43 -4.89 117.38 107.91 1p3g n GLN 93 Ca -0.01 -0.38 -0.10 0.00 -1.94 0.00 0.00 57.00 54.57 1p3g n GLN 93 Cb 0.40 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.29 1p3g n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3g n GLY 94 N 1.08 0.31 2.48 1.08 0.00 -0.62 -4.94 105.19 104.57 1p3g n GLY 94 Ca 0.22 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1p3g n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3g n ARG 95 N -2.32 2.57 -1.53 1.61 5.12 0.23 -5.02 116.66 117.31 1p3g n ARG 95 Ca -0.00 -3.80 -0.60 0.00 -1.93 0.00 0.00 57.85 51.51 1p3g n ARG 95 Cb 0.53 -1.91 -0.09 0.00 -1.16 0.00 0.00 32.46 29.84 1p3g n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3g n THR 96 N -0.65 0.00 -4.82 0.55 -1.04 -1.25 -4.57 114.28 102.50 1p3g n THR 96 Ca 0.23 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.92 1p3g n THR 96 Cb 0.87 -0.27 -0.16 0.00 -1.82 0.00 0.00 70.33 68.96 1p3g n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3g s LEU 97 N 1.61 2.36 -0.01 -4.42 2.96 -1.26 -5.01 118.68 114.91 1p3g s LEU 97 Ca 0.92 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1p3g s LEU 97 Cb -1.31 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 1p3g s LEU 97 CO 0.67 0.13 0.27 -0.31 -1.32 0.00 0.00 176.35 175.79 1p3g s TYR 98 N 0.56 3.60 0.00 5.38 1.51 -1.26 -4.60 117.35 122.53 1p3g s TYR 98 Ca -0.11 0.63 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1p3g s TYR 98 Cb -0.16 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1p3g s TYR 98 CO 0.04 0.63 0.00 0.41 -1.11 0.00 0.00 175.55 175.52 1p3g n GLY 99 N 1.30 1.35 1.71 0.71 0.00 -1.26 -5.00 105.19 104.00 1p3g n GLY 99 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1p3g n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3g n PHE 100 N -0.17 0.51 0.00 1.61 3.01 -1.26 -5.11 117.46 116.05 1p3g n PHE 100 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 57.45 57.27 1p3g n PHE 100 Cb 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1p3g n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3g n GLY 101 N -0.12 1.81 1.46 1.37 0.00 -1.26 -4.52 105.19 103.93 1p3g n GLY 101 Ca 0.11 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1p3g n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93