#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3l h ASN 25 N 0.00 0.82 -0.35 1.67 2.35 -2.04 -3.18 115.58 114.85 1p3l h ASN 25 Ca 0.00 -0.55 0.10 0.00 -0.55 0.00 0.00 56.30 55.30 1p3l h ASN 25 Cb 0.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1p3l h ASN 25 CO 0.00 1.34 0.37 -0.29 -1.65 0.00 0.00 177.43 177.20 1p3l h ILE 26 N 0.46 0.42 0.00 2.81 6.09 -2.00 1.21 117.51 126.50 1p3l h ILE 26 Ca -0.05 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1p3l h ILE 26 Cb 1.41 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1p3l h ILE 26 CO 0.16 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.24 1p3l n GLN 27 N -3.78 0.38 0.17 2.19 1.13 -1.20 -1.59 117.38 114.68 1p3l n GLN 27 Ca 0.06 0.07 0.02 0.00 -1.94 0.00 0.00 57.00 55.21 1p3l n GLN 27 Cb 0.54 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 29.69 1p3l n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3l h GLY 28 N 3.23 0.00 -7.19 1.08 0.00 0.13 -3.35 103.07 96.97 1p3l h GLY 28 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1p3l h GLY 28 CO 0.00 0.00 1.02 -0.42 0.00 0.00 0.00 176.54 177.14 1p3l s ILE 29 N -3.88 3.85 0.49 2.60 -1.09 -0.62 -4.97 121.20 117.58 1p3l s ILE 29 Ca -0.02 0.63 -0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1p3l s ILE 29 Cb 0.13 -4.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 1p3l s ILE 29 CO 0.73 -1.63 0.83 0.42 -1.23 0.00 0.00 174.94 174.06 1p3l s THR 30 N 5.39 4.83 0.27 2.92 -4.23 -1.26 -4.89 115.64 118.68 1p3l s THR 30 Ca 0.39 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1p3l s THR 30 Cb -0.08 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 70.19 1p3l s THR 30 CO 0.20 -0.82 1.74 0.50 -0.54 0.00 0.00 174.62 175.70 1p3l h LYS 31 N 0.41 0.52 0.00 3.99 3.64 -1.93 0.22 116.57 123.42 1p3l h LYS 31 Ca -0.46 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1p3l h LYS 31 Cb 1.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1p3l h LYS 31 CO 0.62 0.35 -0.30 -1.35 -2.27 0.00 0.00 179.45 176.50 1p3l h PRO 32 N 0.54 0.00 0.20 1.90 0.11 -1.98 0.16 132.00 132.93 1p3l h PRO 32 Ca 0.49 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.28 1p3l h PRO 32 Cb 0.77 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.90 1p3l h PRO 32 CO -0.42 0.30 -1.42 0.00 -0.21 0.00 0.00 178.00 176.25 1p3l h ALA 33 N 1.70 -0.03 -0.63 -0.75 0.00 -1.38 -1.39 119.26 116.78 1p3l h ALA 33 Ca -0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 1p3l h ALA 33 Cb 0.61 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1p3l h ALA 33 CO 0.04 0.84 0.11 0.82 0.00 0.00 0.00 179.25 181.06 1p3l h ILE 34 N 0.12 1.25 -0.68 0.00 2.04 -0.44 -1.30 117.51 118.50 1p3l h ILE 34 Ca -0.22 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 1p3l h ILE 34 Cb 2.09 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 1p3l h ILE 34 CO 0.24 0.37 0.13 -0.09 0.00 0.00 0.00 178.15 178.80 1p3l h ARG 35 N 0.96 1.12 -0.79 2.37 2.43 -0.70 -1.33 114.38 118.44 1p3l h ARG 35 Ca 0.20 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1p3l h ARG 35 Cb 0.40 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1p3l h ARG 35 CO 0.01 1.01 0.37 0.00 -1.51 0.00 0.00 179.97 179.85 1p3l h ARG 36 N 1.05 1.14 -0.30 0.20 3.08 -0.53 -1.21 114.38 117.80 1p3l h ARG 36 Ca 0.21 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1p3l h ARG 36 Cb 0.42 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1p3l h ARG 36 CO 0.01 0.88 0.13 -0.07 -1.07 0.00 0.00 179.97 179.85 1p3l h LEU 37 N 1.13 0.40 -0.99 3.04 3.38 -0.82 -2.25 115.31 119.20 1p3l h LEU 37 Ca 0.27 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1p3l h LEU 37 Cb 0.12 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1p3l h LEU 37 CO -0.03 0.44 0.64 0.00 0.09 0.00 0.00 178.44 179.57 1p3l h ALA 38 N 0.98 1.37 -0.65 1.53 0.00 -0.86 -1.20 119.26 120.44 1p3l h ALA 38 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p3l h ALA 38 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1p3l h ALA 38 CO -0.01 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.90 1p3l h ARG 39 N 1.17 0.99 0.00 0.00 2.47 -0.88 0.03 114.38 118.16 1p3l h ARG 39 Ca 0.43 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1p3l h ARG 39 Cb 0.16 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1p3l h ARG 39 CO -0.17 0.86 -0.15 -0.09 0.56 0.00 0.00 179.97 180.97 1p3l h ARG 40 N 0.93 0.00 -0.03 0.04 2.43 -0.76 0.10 114.38 117.08 1p3l h ARG 40 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1p3l h ARG 40 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1p3l h ARG 40 CO -0.01 0.15 0.00 0.41 -1.51 0.00 0.00 179.97 179.01 1p3l n GLY 41 N -0.46 -0.71 1.87 2.80 0.00 -0.13 -4.88 105.19 103.69 1p3l n GLY 41 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1p3l n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3l n GLY 42 N 0.89 0.45 3.71 -0.02 0.00 0.35 -5.02 105.19 105.55 1p3l n GLY 42 Ca 0.15 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1p3l n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3l s VAL 43 N -2.00 4.94 -0.19 1.61 1.01 -0.48 -4.97 120.40 120.32 1p3l s VAL 43 Ca 0.00 1.81 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 1p3l s VAL 43 Cb 0.00 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.96 1p3l s VAL 43 CO 0.00 0.20 0.06 1.17 0.00 0.00 0.00 175.10 176.53 1p3l n LYS 44 N 3.85 0.69 -4.40 2.72 4.81 -1.26 -4.39 118.16 120.18 1p3l n LYS 44 Ca 0.03 0.23 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 1p3l n LYS 44 Cb 0.51 -1.62 -0.15 0.00 0.02 0.00 0.00 35.03 33.80 1p3l n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1p3l s ARG 45 N -2.53 0.80 -0.07 1.64 1.81 -1.26 -5.13 118.95 114.21 1p3l s ARG 45 Ca -0.29 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1p3l s ARG 45 Cb 0.08 -0.77 0.01 0.00 -0.45 0.00 0.00 34.95 33.82 1p3l s ARG 45 CO 0.67 0.21 -0.16 0.42 -0.68 0.00 0.00 175.30 175.77 1p3l s ILE 46 N -0.28 1.38 0.56 1.52 1.01 -1.26 -5.13 121.20 119.00 1p3l s ILE 46 Ca 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 1p3l s ILE 46 Cb -0.04 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 1p3l s ILE 46 CO -0.00 0.41 1.05 -0.55 0.00 0.00 0.00 174.94 175.84 1p3l s SER 47 N 0.43 6.00 0.38 3.58 0.15 -1.26 -4.95 113.70 118.03 1p3l s SER 47 Ca -0.13 1.82 0.07 0.00 0.70 0.00 0.00 55.95 58.42 1p3l s SER 47 Cb -0.15 -2.54 0.77 0.00 -1.71 0.00 0.00 66.02 62.39 1p3l s SER 47 CO 0.04 -1.02 1.96 1.23 1.20 0.00 0.00 173.24 176.65 1p3l h GLY 48 N 0.76 0.45 1.62 9.45 0.00 -2.06 -2.60 103.07 110.70 1p3l h GLY 48 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1p3l h GLY 48 CO 0.58 0.22 0.00 1.04 0.00 0.00 0.00 176.54 178.38 1p3l n LEU 49 N -4.35 0.00 -0.29 3.11 4.77 -1.26 -3.76 117.00 115.21 1p3l n LEU 49 Ca 0.01 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1p3l n LEU 49 Cb 0.19 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1p3l n LEU 49 CO 0.37 -0.03 1.18 0.40 -1.33 0.00 0.00 177.39 177.99 1p3l h ILE 50 N 0.00 1.24 -0.58 -0.08 1.08 -1.85 -2.95 117.51 114.37 1p3l h ILE 50 Ca 0.00 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1p3l h ILE 50 Cb 0.28 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 1p3l h ILE 50 CO 0.00 0.27 0.36 1.88 -0.69 0.00 0.00 178.15 179.97 1p3l h TYR 51 N 1.17 0.68 0.00 1.37 0.05 -1.78 0.17 116.97 118.63 1p3l h TYR 51 Ca 0.30 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.97 1p3l h TYR 51 Cb 0.00 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1p3l h TYR 51 CO 0.01 0.39 -0.63 0.93 -1.05 0.00 0.00 178.16 177.81 1p3l h GLU 52 N 0.72 0.00 -0.53 4.88 4.39 -1.82 -2.51 114.58 119.71 1p3l h GLU 52 Ca 0.23 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1p3l h GLU 52 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1p3l h GLU 52 CO -0.09 0.63 0.03 1.49 -1.16 0.00 0.00 179.01 179.91 1p3l h GLU 53 N 0.00 0.92 0.10 2.33 4.57 -1.12 -2.42 114.58 118.96 1p3l h GLU 53 Ca -0.01 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1p3l h GLU 53 Cb 1.23 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1p3l h GLU 53 CO 0.08 0.92 -0.05 1.15 -1.18 0.00 0.00 179.01 179.94 1p3l h THR 54 N 0.80 1.00 -0.91 0.32 2.02 -0.61 -2.22 112.91 113.31 1p3l h THR 54 Ca 0.15 -0.36 0.18 0.00 0.77 0.00 0.00 66.41 67.15 1p3l h THR 54 Cb 0.49 1.23 -0.10 0.00 -1.74 0.00 0.00 68.15 68.03 1p3l h THR 54 CO 0.02 0.09 0.49 0.03 0.37 0.00 0.00 175.52 176.52 1p3l h ARG 55 N -0.29 0.60 -0.58 6.66 3.08 -1.36 0.21 114.38 122.70 1p3l h ARG 55 Ca -0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1p3l h ARG 55 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1p3l h ARG 55 CO 0.02 0.40 0.10 0.78 -1.07 0.00 0.00 179.97 180.20 1p3l h GLY 56 N 0.62 1.03 0.92 0.04 0.00 -1.14 -0.75 103.07 103.80 1p3l h GLY 56 Ca 0.52 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1p3l h GLY 56 CO -0.40 0.63 -0.05 -2.08 0.00 0.00 0.00 176.54 174.63 1p3l h VAL 57 N 0.86 1.27 -0.95 4.60 2.07 -0.41 -1.78 116.25 121.91 1p3l h VAL 57 Ca 0.18 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1p3l h VAL 57 Cb 0.41 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1p3l h VAL 57 CO 0.01 0.36 0.62 0.25 0.02 0.00 0.00 177.57 178.82 1p3l h LEU 58 N 0.44 1.02 -0.50 2.57 5.85 -0.41 0.05 115.31 124.34 1p3l h LEU 58 Ca 0.09 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1p3l h LEU 58 Cb 0.54 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1p3l h LEU 58 CO 0.03 0.70 0.09 0.50 -0.34 0.00 0.00 178.44 179.41 1p3l h LYS 59 N 1.19 0.82 -0.56 1.25 3.64 -0.95 -0.39 116.57 121.57 1p3l h LYS 59 Ca 0.38 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1p3l h LYS 59 Cb 0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1p3l h LYS 59 CO -0.13 0.81 0.07 0.28 -2.27 0.00 0.00 179.45 178.21 1p3l h VAL 60 N 0.70 1.25 0.64 2.00 2.07 -0.60 -0.62 116.25 121.69 1p3l h VAL 60 Ca 0.15 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1p3l h VAL 60 Cb 0.39 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1p3l h VAL 60 CO 0.01 0.36 -0.31 0.15 0.02 0.00 0.00 177.57 177.80 1p3l h PHE 61 N 0.86 -0.80 -0.54 1.57 3.57 -0.66 -2.26 116.94 118.68 1p3l h PHE 61 Ca 0.17 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 1p3l h PHE 61 Cb 0.42 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1p3l h PHE 61 CO 0.03 -0.47 0.26 -0.07 -2.23 0.00 0.00 178.31 175.82 1p3l h LEU 62 N -0.92 0.35 -0.18 0.59 3.38 -0.93 -2.25 115.31 115.34 1p3l h LEU 62 Ca -0.09 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1p3l h LEU 62 Cb 0.68 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1p3l h LEU 62 CO 0.14 0.23 -0.20 -0.33 0.09 0.00 0.00 178.44 178.37 1p3l h GLU 63 N 0.49 -0.23 -0.37 1.13 5.08 -1.03 0.39 114.58 120.05 1p3l h GLU 63 Ca 0.25 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1p3l h GLU 63 Cb 0.19 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1p3l h GLU 63 CO -0.19 -0.15 0.15 -0.91 -1.00 0.00 0.00 179.01 176.90 1p3l h ASN 64 N -0.24 0.18 -0.01 1.42 2.35 -0.98 -0.38 115.58 117.92 1p3l h ASN 64 Ca 0.11 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1p3l h ASN 64 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1p3l h ASN 64 CO -0.31 0.14 -0.00 0.58 -1.65 0.00 0.00 177.43 176.19 1p3l h VAL 65 N 0.31 1.32 -0.86 2.81 2.07 -1.03 -3.06 116.25 117.80 1p3l h VAL 65 Ca 0.16 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1p3l h VAL 65 Cb 0.12 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1p3l h VAL 65 CO -0.15 0.25 0.54 0.40 0.02 0.00 0.00 177.57 178.63 1p3l h ILE 66 N -0.36 1.24 -0.31 4.57 2.04 -0.20 0.03 117.51 124.51 1p3l h ILE 66 Ca 0.00 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1p3l h ILE 66 Cb 0.41 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1p3l h ILE 66 CO 0.00 0.24 -0.13 -0.09 0.00 0.00 0.00 178.15 178.17 1p3l h ARG 67 N 1.18 -0.08 -0.60 2.37 2.43 -1.10 0.37 114.38 118.95 1p3l h ARG 67 Ca 0.31 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1p3l h ARG 67 Cb -0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1p3l h ARG 67 CO -0.06 -0.05 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.91 1p3l h ASP 68 N -0.08 1.04 -0.46 -3.80 5.19 -1.34 -1.45 116.42 115.52 1p3l h ASP 68 Ca 0.16 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1p3l h ASP 68 Cb 0.32 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1p3l h ASP 68 CO -0.36 1.09 0.22 0.00 -3.12 0.00 0.00 179.24 177.06 1p3l h ALA 69 N 1.02 0.60 -0.08 3.45 0.00 -0.11 -2.01 119.26 122.11 1p3l h ALA 69 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1p3l h ALA 69 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1p3l h ALA 69 CO 0.03 0.16 -0.21 0.28 0.00 0.00 0.00 179.25 179.51 1p3l h VAL 70 N 0.60 1.20 -0.14 0.00 2.07 -0.14 -1.05 116.25 118.80 1p3l h VAL 70 Ca 0.16 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1p3l h VAL 70 Cb 0.12 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1p3l h VAL 70 CO -0.02 0.27 -0.43 0.74 0.02 0.00 0.00 177.57 178.15 1p3l h THR 71 N 0.13 1.32 -0.08 2.57 2.02 -0.63 -0.25 112.91 117.98 1p3l h THR 71 Ca 0.02 -1.58 -0.18 0.00 0.77 0.00 0.00 66.41 65.44 1p3l h THR 71 Cb 0.46 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1p3l h THR 71 CO 0.03 0.48 -0.70 1.88 0.37 0.00 0.00 175.52 177.58 1p3l h TYR 72 N 0.26 0.51 0.91 3.16 -1.99 -0.68 -1.84 116.97 117.31 1p3l h TYR 72 Ca 0.02 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.49 1p3l h TYR 72 Cb 0.87 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 39.52 1p3l h TYR 72 CO 0.02 0.96 -0.46 1.15 -0.00 0.00 0.00 178.16 179.84 1p3l h THR 73 N 0.27 0.00 -0.65 -2.88 2.02 -0.76 -1.69 112.91 109.22 1p3l h THR 73 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1p3l h THR 73 Cb 1.26 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 1p3l h THR 73 CO 0.12 0.00 0.26 -0.33 0.37 0.00 0.00 175.52 175.94 1p3l h GLU 74 N -1.25 0.43 -0.98 6.66 5.08 -1.12 -0.41 114.58 123.00 1p3l h GLU 74 Ca -0.12 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1p3l h GLU 74 Cb 0.96 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 1p3l h GLU 74 CO 0.19 0.29 0.61 1.25 -1.00 0.00 0.00 179.01 180.35 1p3l h HIS 75 N 0.45 1.10 -0.00 4.33 2.76 -1.14 0.27 115.15 122.92 1p3l h HIS 75 Ca 0.33 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1p3l h HIS 75 Cb 0.42 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1p3l h HIS 75 CO -0.16 0.42 0.00 0.00 -1.30 0.00 0.00 177.93 176.89 1p3l n ALA 76 N -2.35 2.67 -3.07 5.26 0.00 -0.25 -4.90 120.51 117.86 1p3l n ALA 76 Ca 0.19 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1p3l n ALA 76 Cb 0.36 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.39 1p3l n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3l n LYS 77 N -0.85 -4.89 -3.62 0.00 5.02 0.97 -5.03 118.16 109.77 1p3l n LYS 77 Ca 0.23 0.68 -0.21 0.00 -2.02 0.00 0.00 58.31 56.98 1p3l n LYS 77 Cb 0.14 -5.12 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 1p3l n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3l s ARG 78 N -5.70 2.52 0.00 1.97 0.52 -1.05 -5.02 118.95 112.19 1p3l s ARG 78 Ca 0.34 -1.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.02 1p3l s ARG 78 Cb -0.15 -2.35 -0.00 0.00 0.52 0.00 0.00 34.95 32.97 1p3l s ARG 78 CO 0.41 -0.17 0.33 1.63 0.02 0.00 0.00 175.30 177.53 1p3l n LYS 79 N -1.51 2.66 -4.13 3.54 5.02 -1.26 -4.47 118.16 118.01 1p3l n LYS 79 Ca 0.03 -0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 55.65 1p3l n LYS 79 Cb 0.62 -0.82 -0.13 0.00 -0.02 0.00 0.00 35.03 34.67 1p3l n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3l s THR 80 N -0.64 3.55 -0.08 -0.18 2.01 -1.26 -5.09 115.64 113.95 1p3l s THR 80 Ca 0.02 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1p3l s THR 80 Cb 0.02 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1p3l s THR 80 CO 0.05 0.45 1.25 -0.69 -0.69 0.00 0.00 174.62 174.98 1p3l s VAL 81 N 1.07 4.19 0.29 3.82 1.01 -1.26 -4.95 120.40 124.56 1p3l s VAL 81 Ca 0.01 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1p3l s VAL 81 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1p3l s VAL 81 CO 0.00 -0.04 0.44 0.42 0.00 0.00 0.00 175.10 175.92 1p3l s THR 82 N 2.62 5.11 0.24 3.92 -4.23 -1.26 -4.99 115.64 117.06 1p3l s THR 82 Ca 0.57 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1p3l s THR 82 Cb -0.25 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 69.98 1p3l s THR 82 CO 0.21 -0.40 1.78 0.00 -0.54 0.00 0.00 174.62 175.67 1p3l h ALA 83 N 1.00 1.14 -0.93 3.99 0.00 -1.95 -0.77 119.26 121.73 1p3l h ALA 83 Ca -0.51 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1p3l h ALA 83 Cb 1.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1p3l h ALA 83 CO 0.61 -0.01 0.55 0.52 0.00 0.00 0.00 179.25 180.92 1p3l h MET 84 N 0.67 1.26 -0.91 0.00 2.86 -1.94 0.55 114.93 117.42 1p3l h MET 84 Ca 0.40 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1p3l h MET 84 Cb 0.45 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 1p3l h MET 84 CO -0.29 0.88 0.60 -0.44 1.06 0.00 0.00 176.91 178.73 1p3l h ASP 85 N 1.28 1.04 -0.19 1.22 3.32 -1.51 0.32 116.42 121.90 1p3l h ASP 85 Ca 0.33 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1p3l h ASP 85 Cb -0.05 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 1p3l h ASP 85 CO -0.06 0.75 -0.10 0.58 -1.72 0.00 0.00 179.24 178.69 1p3l h VAL 86 N 1.23 1.31 -0.18 -1.35 2.07 -0.84 -1.81 116.25 116.67 1p3l h VAL 86 Ca 0.34 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1p3l h VAL 86 Cb -0.12 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1p3l h VAL 86 CO -0.08 0.35 0.07 0.58 0.02 0.00 0.00 177.57 178.52 1p3l h VAL 87 N 0.09 0.97 -0.52 2.57 2.07 -0.55 0.25 116.25 121.14 1p3l h VAL 87 Ca 0.04 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1p3l h VAL 87 Cb 0.59 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1p3l h VAL 87 CO 0.03 0.03 0.17 1.88 0.02 0.00 0.00 177.57 179.70 1p3l h TYR 88 N 0.17 0.77 -0.21 1.57 0.99 -0.38 -0.89 116.97 118.99 1p3l h TYR 88 Ca 0.08 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 1p3l h TYR 88 Cb 0.03 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 37.52 1p3l h TYR 88 CO -0.10 0.63 -0.13 0.00 -0.00 0.00 0.00 178.16 178.55 1p3l h ALA 89 N 1.44 0.29 -0.88 3.88 0.00 -0.46 -2.62 119.26 120.92 1p3l h ALA 89 Ca 0.18 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1p3l h ALA 89 Cb 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1p3l h ALA 89 CO -0.01 0.16 0.58 -0.07 0.00 0.00 0.00 179.25 179.90 1p3l h LEU 90 N 0.14 0.93 -0.43 0.00 3.38 -0.34 -2.33 115.31 116.67 1p3l h LEU 90 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1p3l h LEU 90 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p3l h LEU 90 CO 0.04 0.63 0.19 0.50 0.09 0.00 0.00 178.44 179.88 1p3l h LYS 91 N 1.07 0.63 0.00 1.13 3.64 -0.93 0.50 116.57 122.62 1p3l h LYS 91 Ca 0.36 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1p3l h LYS 91 Cb 0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1p3l h LYS 91 CO -0.11 0.57 0.00 2.89 -2.27 0.00 0.00 179.45 180.53 1p3l n ARG 92 N -4.64 0.22 -0.05 1.90 1.85 -1.01 -1.19 116.66 113.74 1p3l n ARG 92 Ca 0.00 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.28 1p3l n ARG 92 Cb 0.13 -1.83 0.47 0.00 -1.05 0.00 0.00 32.46 30.19 1p3l n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1p3l n GLN 93 N -2.22 1.52 -2.15 2.89 1.13 -0.90 -4.89 117.38 112.76 1p3l n GLN 93 Ca 0.04 -0.78 -0.10 0.00 -1.94 0.00 0.00 57.00 54.22 1p3l n GLN 93 Cb 0.32 -1.39 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1p3l n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3l n GLY 94 N 1.06 0.01 2.52 1.08 0.00 -0.33 -4.95 105.19 104.58 1p3l n GLY 94 Ca 0.17 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1p3l n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3l n ARG 95 N -2.04 2.90 -1.53 1.61 5.12 0.17 -5.01 116.66 117.89 1p3l n ARG 95 Ca -0.12 -4.22 -0.53 0.00 -1.93 0.00 0.00 57.85 51.04 1p3l n ARG 95 Cb 0.58 -2.02 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1p3l n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3l n THR 96 N -0.38 0.44 -4.83 0.55 -1.04 -1.24 -4.46 114.28 103.32 1p3l n THR 96 Ca 0.32 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.05 61.90 1p3l n THR 96 Cb 0.69 -0.43 -0.17 0.00 -1.82 0.00 0.00 70.33 68.60 1p3l n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3l s LEU 97 N 0.62 2.08 0.02 -4.42 2.96 -1.26 -5.00 118.68 113.68 1p3l s LEU 97 Ca 0.82 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 1p3l s LEU 97 Cb -1.04 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1p3l s LEU 97 CO 0.53 0.10 0.34 -0.31 -1.32 0.00 0.00 176.35 175.69 1p3l s TYR 98 N 0.67 3.62 0.00 5.38 1.51 -1.26 -3.30 117.35 123.97 1p3l s TYR 98 Ca -0.11 0.75 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 1p3l s TYR 98 Cb -0.16 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1p3l s TYR 98 CO 0.02 0.60 0.00 0.41 -1.11 0.00 0.00 175.55 175.46 1p3l n GLY 99 N 1.30 1.07 0.00 0.71 0.00 -1.26 -4.85 105.19 102.16 1p3l n GLY 99 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1p3l n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3l n PHE 100 N -0.37 0.00 0.00 1.61 3.01 -1.26 -4.98 117.46 115.47 1p3l n PHE 100 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1p3l n PHE 100 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1p3l n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3l n GLY 101 N -0.08 0.88 0.00 1.37 0.00 -1.26 -4.66 105.19 101.44 1p3l n GLY 101 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1p3l n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93