#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3b h ILE 26 N 0.00 0.64 0.00 2.41 6.09 -2.01 0.75 117.51 125.39 1p3b h ILE 26 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1p3b h ILE 26 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1p3b h ILE 26 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1p3b n GLN 27 N -4.03 0.13 0.27 2.19 1.13 -1.26 -1.90 117.38 113.91 1p3b n GLN 27 Ca -0.02 0.24 0.17 0.00 -1.94 0.00 0.00 57.00 55.45 1p3b n GLN 27 Cb 0.14 -1.69 0.70 0.00 0.11 0.00 0.00 30.24 29.49 1p3b n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3b h GLY 28 N 3.54 0.00 -7.22 1.08 0.00 0.02 -3.33 103.07 97.16 1p3b h GLY 28 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1p3b h GLY 28 CO 0.00 0.00 1.26 -0.42 0.00 0.00 0.00 176.54 177.38 1p3b s ILE 29 N -3.66 3.93 0.68 2.60 -1.09 -0.80 -4.96 121.20 117.90 1p3b s ILE 29 Ca 0.01 -0.41 -0.11 0.00 -2.23 0.00 0.00 60.65 57.91 1p3b s ILE 29 Cb 0.09 -4.98 0.00 0.00 -1.58 0.00 0.00 42.46 35.99 1p3b s ILE 29 CO 0.52 -1.86 1.06 0.42 -1.23 0.00 0.00 174.94 173.85 1p3b s THR 30 N 5.03 4.14 0.18 2.92 -4.23 -1.25 -4.87 115.64 117.55 1p3b s THR 30 Ca 0.40 0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 1p3b s THR 30 Cb -0.04 -3.47 0.08 0.00 1.34 0.00 0.00 72.50 70.41 1p3b s THR 30 CO -0.01 -0.91 1.80 0.50 -0.54 0.00 0.00 174.62 175.47 1p3b h LYS 31 N -0.66 0.54 -0.82 3.99 3.64 -1.93 0.11 116.57 121.45 1p3b h LYS 31 Ca -0.44 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.04 1p3b h LYS 31 Cb 1.21 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.82 1p3b h LYS 31 CO 0.58 0.36 0.43 -1.35 -2.27 0.00 0.00 179.45 177.19 1p3b h PRO 32 N 0.56 0.63 -0.09 1.90 0.11 -1.98 0.77 132.00 133.90 1p3b h PRO 32 Ca 0.22 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 1p3b h PRO 32 Cb 0.09 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.06 1p3b h PRO 32 CO -0.13 0.42 -0.45 0.00 -0.21 0.00 0.00 178.00 177.62 1p3b h ALA 33 N 1.52 0.17 -0.57 -0.75 0.00 -1.78 0.10 119.26 117.96 1p3b h ALA 33 Ca 0.43 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1p3b h ALA 33 Cb 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1p3b h ALA 33 CO -0.33 0.32 0.29 0.82 0.00 0.00 0.00 179.25 180.36 1p3b h ILE 34 N 0.03 1.18 -0.00 0.00 2.04 -0.18 0.88 117.51 121.45 1p3b h ILE 34 Ca -0.03 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1p3b h ILE 34 Cb 1.10 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1p3b h ILE 34 CO 0.09 0.21 0.00 -0.09 0.00 0.00 0.00 178.15 178.36 1p3b h ARG 35 N 0.79 0.00 -0.80 2.37 2.43 0.64 -1.67 114.38 118.14 1p3b h ARG 35 Ca 0.20 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.51 1p3b h ARG 35 Cb 0.05 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.51 1p3b h ARG 35 CO -0.03 0.30 0.38 0.00 -1.51 0.00 0.00 179.97 179.11 1p3b h ARG 36 N -0.29 0.53 0.06 0.20 3.08 0.05 -0.40 114.38 117.61 1p3b h ARG 36 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p3b h ARG 36 Cb 0.30 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1p3b h ARG 36 CO 0.00 0.35 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.15 1p3b h LEU 37 N 0.55 -0.08 -0.59 3.04 3.38 -0.65 -2.27 115.31 118.68 1p3b h LEU 37 Ca 0.44 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.52 1p3b h LEU 37 Cb 0.63 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 1p3b h LEU 37 CO -0.37 -0.06 0.16 0.00 0.09 0.00 0.00 178.44 178.26 1p3b h ALA 38 N 0.86 0.72 -0.65 1.53 0.00 -0.29 -1.33 119.26 120.10 1p3b h ALA 38 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1p3b h ALA 38 Cb 0.07 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1p3b h ALA 38 CO 0.01 -0.27 0.29 0.00 0.00 0.00 0.00 179.25 179.28 1p3b h ARG 39 N 0.31 0.50 0.00 0.00 2.47 -0.74 0.58 114.38 117.50 1p3b h ARG 39 Ca 0.31 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.95 1p3b h ARG 39 Cb 0.43 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1p3b h ARG 39 CO -0.36 0.33 -0.21 -0.09 0.56 0.00 0.00 179.97 180.20 1p3b h ARG 40 N 0.51 0.00 0.00 0.04 2.43 -0.75 0.24 114.38 116.85 1p3b h ARG 40 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1p3b h ARG 40 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1p3b h ARG 40 CO -0.27 0.21 0.00 0.41 -1.51 0.00 0.00 179.97 178.81 1p3b n GLY 41 N -0.80 -0.84 2.02 2.80 0.00 0.19 -4.86 105.19 103.71 1p3b n GLY 41 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1p3b n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3b n GLY 42 N 0.66 0.35 3.68 -0.02 0.00 0.83 -5.03 105.19 105.66 1p3b n GLY 42 Ca 0.19 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1p3b n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3b s VAL 43 N -2.05 5.19 -0.11 1.61 1.01 -0.62 -4.98 120.40 120.45 1p3b s VAL 43 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1p3b s VAL 43 Cb 0.00 -3.75 -0.25 0.00 0.00 0.00 0.00 36.38 32.39 1p3b s VAL 43 CO 0.00 0.26 0.39 1.17 0.00 0.00 0.00 175.10 176.92 1p3b n LYS 44 N 4.32 0.71 -4.43 2.72 4.81 -1.26 -4.31 118.16 120.73 1p3b n LYS 44 Ca -0.08 0.25 -0.20 0.00 -0.87 0.00 0.00 58.31 57.42 1p3b n LYS 44 Cb 0.51 -1.71 -0.15 0.00 0.02 0.00 0.00 35.03 33.70 1p3b n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p3b s ALA 45 N -2.56 0.85 -0.10 3.14 0.00 -1.26 -5.13 121.76 116.69 1p3b s ALA 45 Ca -0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1p3b s ALA 45 Cb 0.07 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1p3b s ALA 45 CO 0.77 0.20 -0.06 0.42 0.00 0.00 0.00 175.76 177.10 1p3b s ILE 46 N -0.21 0.90 0.23 0.00 1.01 -1.26 -5.12 121.20 116.75 1p3b s ILE 46 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 1p3b s ILE 46 Cb -0.04 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 1p3b s ILE 46 CO -0.00 0.35 1.53 -0.55 0.00 0.00 0.00 174.94 176.26 1p3b s SER 47 N 1.73 6.56 0.40 3.58 0.15 -1.26 -4.90 113.70 119.96 1p3b s SER 47 Ca 0.04 2.72 0.18 0.00 0.70 0.00 0.00 55.95 59.60 1p3b s SER 47 Cb -0.13 -2.62 1.11 0.00 -1.71 0.00 0.00 66.02 62.67 1p3b s SER 47 CO -0.07 -0.80 1.76 1.23 1.20 0.00 0.00 173.24 176.56 1p3b h GLY 48 N 5.62 1.24 1.76 9.45 0.00 -2.05 0.29 103.07 119.38 1p3b h GLY 48 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1p3b h GLY 48 CO 0.83 -0.15 0.00 1.04 0.00 0.00 0.00 176.54 178.26 1p3b n LEU 49 N -4.64 0.00 0.08 3.11 4.77 -1.26 -2.87 117.00 116.19 1p3b n LEU 49 Ca 0.26 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.56 1p3b n LEU 49 Cb 0.89 -0.38 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1p3b n LEU 49 CO 0.25 -0.30 0.45 0.40 -1.33 0.00 0.00 177.39 176.85 1p3b h ILE 50 N 0.00 1.40 -0.63 -0.08 1.08 -1.30 -3.05 117.51 114.93 1p3b h ILE 50 Ca 0.00 -2.06 -0.08 0.00 -0.39 0.00 0.00 64.86 62.33 1p3b h ILE 50 Cb 0.07 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1p3b h ILE 50 CO 0.00 0.61 0.06 1.88 -0.69 0.00 0.00 178.15 180.01 1p3b h TYR 51 N 0.18 1.13 -0.06 1.37 0.05 -1.73 -0.11 116.97 117.79 1p3b h TYR 51 Ca -0.01 -0.17 -0.23 0.00 0.05 0.00 0.00 58.73 58.37 1p3b h TYR 51 Cb 1.16 -0.31 0.02 0.00 1.01 0.00 0.00 36.73 38.61 1p3b h TYR 51 CO 0.02 0.97 -0.85 0.93 -1.05 0.00 0.00 178.16 178.18 1p3b h GLU 52 N 0.98 0.69 -0.40 4.88 4.39 -1.80 -2.41 114.58 120.91 1p3b h GLU 52 Ca 0.19 -0.65 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1p3b h GLU 52 Cb 0.48 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1p3b h GLU 52 CO 0.02 1.25 0.20 1.49 -1.16 0.00 0.00 179.01 180.81 1p3b h GLU 53 N 0.36 0.55 -0.29 2.33 4.57 -1.42 -2.53 114.58 118.15 1p3b h GLU 53 Ca -0.09 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 1p3b h GLU 53 Cb 1.50 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1p3b h GLU 53 CO 0.17 0.42 -0.02 1.15 -1.18 0.00 0.00 179.01 179.55 1p3b h THR 54 N 0.55 1.26 -0.50 0.32 2.02 -0.84 -2.82 112.91 112.91 1p3b h THR 54 Ca 0.14 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1p3b h THR 54 Cb 0.05 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1p3b h THR 54 CO -0.02 0.31 0.27 0.03 0.37 0.00 0.00 175.52 176.48 1p3b h ARG 55 N 0.30 0.70 -0.75 6.66 3.08 -1.04 -0.10 114.38 123.22 1p3b h ARG 55 Ca 0.08 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1p3b h ARG 55 Cb 0.46 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 1p3b h ARG 55 CO 0.02 0.55 0.37 0.78 -1.07 0.00 0.00 179.97 180.62 1p3b h GLY 56 N 0.66 1.14 0.88 0.04 0.00 -1.44 0.93 103.07 105.29 1p3b h GLY 56 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1p3b h GLY 56 CO -0.03 0.03 -0.05 -2.08 0.00 0.00 0.00 176.54 174.41 1p3b h VAL 57 N 0.59 0.97 -0.72 4.60 2.07 -1.12 -1.21 116.25 121.44 1p3b h VAL 57 Ca 0.38 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1p3b h VAL 57 Cb 0.45 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1p3b h VAL 57 CO -0.30 0.06 0.47 0.25 0.02 0.00 0.00 177.57 178.08 1p3b h LEU 58 N -0.25 0.76 0.54 2.57 5.85 0.75 -0.12 115.31 125.41 1p3b h LEU 58 Ca -0.01 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1p3b h LEU 58 Cb 0.21 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1p3b h LEU 58 CO 0.02 0.53 -0.26 0.50 -0.34 0.00 0.00 178.44 178.90 1p3b h LYS 59 N 0.89 -0.70 -0.82 1.25 3.64 0.11 -1.48 116.57 119.47 1p3b h LYS 59 Ca 0.28 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.82 1p3b h LYS 59 Cb 0.03 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1p3b h LYS 59 CO -0.08 -0.45 0.54 0.28 -2.27 0.00 0.00 179.45 177.47 1p3b h VAL 60 N -0.75 0.92 0.01 2.00 2.07 -0.51 -0.35 116.25 119.63 1p3b h VAL 60 Ca -0.07 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1p3b h VAL 60 Cb 0.57 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1p3b h VAL 60 CO 0.12 0.13 -0.00 0.15 0.02 0.00 0.00 177.57 177.99 1p3b h PHE 61 N 0.72 -0.01 -0.40 1.57 3.57 -0.73 -2.43 116.94 119.22 1p3b h PHE 61 Ca 0.39 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1p3b h PHE 61 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1p3b h PHE 61 CO -0.00 0.15 0.10 -0.07 -2.23 0.00 0.00 178.31 176.26 1p3b h LEU 62 N -0.17 0.61 0.02 0.59 3.38 -0.56 -2.53 115.31 116.65 1p3b h LEU 62 Ca -0.00 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1p3b h LEU 62 Cb 0.17 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1p3b h LEU 62 CO 0.00 0.68 -0.41 -0.33 0.09 0.00 0.00 178.44 178.47 1p3b h GLU 63 N 0.51 -0.56 -0.28 1.13 5.08 -1.05 0.68 114.58 120.10 1p3b h GLU 63 Ca 0.13 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1p3b h GLU 63 Cb 0.31 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1p3b h GLU 63 CO 0.00 -0.37 -0.34 -0.91 -1.00 0.00 0.00 179.01 176.39 1p3b h ASN 64 N -0.58 -1.09 0.43 1.42 4.21 -1.39 0.32 115.58 118.90 1p3b h ASN 64 Ca 0.04 0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 1p3b h ASN 64 Cb 0.65 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1p3b h ASN 64 CO -0.30 -0.35 -0.21 0.58 -1.29 0.00 0.00 177.43 175.87 1p3b h VAL 65 N -0.33 0.56 -1.01 2.81 2.07 -1.04 -2.76 116.25 116.55 1p3b h VAL 65 Ca 0.13 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1p3b h VAL 65 Cb 0.55 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1p3b h VAL 65 CO -0.46 0.05 0.65 0.40 0.02 0.00 0.00 177.57 178.23 1p3b h ILE 66 N -0.76 1.03 -0.36 4.57 2.04 0.54 -0.46 117.51 124.11 1p3b h ILE 66 Ca -0.06 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1p3b h ILE 66 Cb 0.53 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1p3b h ILE 66 CO 0.10 0.21 0.20 -0.09 0.00 0.00 0.00 178.15 178.56 1p3b h ARG 67 N 1.12 0.39 -0.41 2.37 2.43 -0.31 -0.77 114.38 119.20 1p3b h ARG 67 Ca 0.46 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.50 1p3b h ARG 67 Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1p3b h ARG 67 CO -0.20 0.26 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.94 1p3b h ASP 68 N 0.40 0.83 -0.39 -3.80 5.19 -1.01 -2.10 116.42 115.54 1p3b h ASP 68 Ca 0.15 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1p3b h ASP 68 Cb 0.04 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1p3b h ASP 68 CO -0.09 1.02 0.08 0.00 -3.12 0.00 0.00 179.24 177.13 1p3b h ALA 69 N 0.84 0.52 -0.19 3.45 0.00 -0.92 -2.63 119.26 120.33 1p3b h ALA 69 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1p3b h ALA 69 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1p3b h ALA 69 CO 0.05 0.22 -0.08 0.28 0.00 0.00 0.00 179.25 179.72 1p3b h VAL 70 N 0.50 1.17 -0.81 0.00 2.07 -1.12 -0.83 116.25 117.22 1p3b h VAL 70 Ca 0.12 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1p3b h VAL 70 Cb 0.35 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1p3b h VAL 70 CO 0.01 0.23 0.46 0.74 0.02 0.00 0.00 177.57 179.03 1p3b h THR 71 N 0.28 1.23 -0.22 2.57 2.02 -1.04 -0.64 112.91 117.11 1p3b h THR 71 Ca 0.06 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1p3b h THR 71 Cb 0.32 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1p3b h THR 71 CO 0.02 0.25 -0.12 1.88 0.37 0.00 0.00 175.52 177.92 1p3b h TYR 72 N 1.12 0.38 -0.41 3.16 0.99 -0.88 -1.71 116.97 119.63 1p3b h TYR 72 Ca 0.29 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.92 1p3b h TYR 72 Cb -0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.60 1p3b h TYR 72 CO -0.00 0.48 0.06 1.15 -0.00 0.00 0.00 178.16 179.85 1p3b h THR 73 N 0.34 1.24 0.02 -2.88 2.02 0.14 -2.58 112.91 111.22 1p3b h THR 73 Ca 0.07 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 1p3b h THR 73 Cb 0.42 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1p3b h THR 73 CO 0.02 0.30 -0.01 -0.33 0.37 0.00 0.00 175.52 175.88 1p3b h GLU 74 N 0.52 -0.03 -0.92 6.66 5.08 -0.83 -1.85 114.58 123.22 1p3b h GLU 74 Ca 0.12 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.74 1p3b h GLU 74 Cb 0.38 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1p3b h GLU 74 CO 0.01 0.22 0.65 1.25 -1.00 0.00 0.00 179.01 180.14 1p3b h HIS 75 N -0.28 0.10 -0.54 4.33 2.76 -1.27 1.40 115.15 121.65 1p3b h HIS 75 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1p3b h HIS 75 Cb 0.27 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1p3b h HIS 75 CO 0.01 0.02 0.00 0.00 -1.30 0.00 0.00 177.93 176.66 1p3b n ALA 76 N -2.68 2.77 -4.11 5.26 0.00 -0.95 -4.94 120.51 115.86 1p3b n ALA 76 Ca 0.19 -1.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.15 1p3b n ALA 76 Cb 0.94 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 1p3b n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3b n LYS 77 N 0.98 -3.24 -4.32 0.00 5.02 0.48 -4.97 118.16 112.11 1p3b n LYS 77 Ca 0.20 0.38 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 1p3b n LYS 77 Cb 0.64 -4.83 -0.08 0.00 -0.02 0.00 0.00 35.03 30.74 1p3b n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3b s ARG 78 N -6.79 2.11 0.00 1.97 0.52 -0.74 -5.02 118.95 110.99 1p3b s ARG 78 Ca 0.42 -1.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.05 1p3b s ARG 78 Cb -0.23 -1.98 0.15 0.00 0.52 0.00 0.00 34.95 33.41 1p3b s ARG 78 CO 0.91 0.20 0.99 1.63 0.02 0.00 0.00 175.30 179.05 1p3b n LYS 79 N -0.92 1.62 -4.56 3.54 5.02 -1.26 -4.52 118.16 117.08 1p3b n LYS 79 Ca -0.05 -1.48 -0.32 0.00 -2.02 0.00 0.00 58.31 54.44 1p3b n LYS 79 Cb 0.61 -1.18 -0.16 0.00 -0.02 0.00 0.00 35.03 34.28 1p3b n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3b s THR 80 N -0.85 1.94 -0.13 -0.18 2.01 -1.26 -5.09 115.64 112.07 1p3b s THR 80 Ca 0.14 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1p3b s THR 80 Cb 0.08 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1p3b s THR 80 CO 0.11 0.53 1.08 -0.69 -0.69 0.00 0.00 174.62 174.96 1p3b s VAL 81 N 0.91 4.60 0.20 3.82 1.01 -1.26 -4.94 120.40 124.73 1p3b s VAL 81 Ca -0.06 1.89 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 1p3b s VAL 81 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1p3b s VAL 81 CO -0.03 -0.05 0.38 0.42 0.00 0.00 0.00 175.10 175.82 1p3b s THR 82 N 2.44 5.22 0.29 3.92 -4.23 -1.26 -4.98 115.64 117.04 1p3b s THR 82 Ca 0.50 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1p3b s THR 82 Cb -0.19 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1p3b s THR 82 CO 0.16 -0.17 1.73 0.00 -0.54 0.00 0.00 174.62 175.80 1p3b h ALA 83 N 1.99 1.46 -0.62 3.99 0.00 -1.95 0.19 119.26 124.32 1p3b h ALA 83 Ca -0.48 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1p3b h ALA 83 Cb 1.19 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1p3b h ALA 83 CO 0.68 -0.21 0.28 0.52 0.00 0.00 0.00 179.25 180.52 1p3b h MET 84 N 0.55 0.89 -0.94 0.00 2.86 -1.94 -0.21 114.93 116.14 1p3b h MET 84 Ca 0.54 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 58.11 1p3b h MET 84 Cb 0.92 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 1p3b h MET 84 CO -0.45 0.70 0.60 -0.44 1.06 0.00 0.00 176.91 178.39 1p3b h ASP 85 N 0.88 0.97 -0.06 1.22 3.32 -0.97 0.13 116.42 121.90 1p3b h ASP 85 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1p3b h ASP 85 Cb 0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1p3b h ASP 85 CO -0.03 0.63 -0.01 0.58 -1.72 0.00 0.00 179.24 178.69 1p3b h VAL 86 N 1.11 1.27 -0.28 -1.35 2.07 -1.00 -1.01 116.25 117.05 1p3b h VAL 86 Ca 0.40 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1p3b h VAL 86 Cb 0.13 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1p3b h VAL 86 CO -0.16 0.23 -0.08 0.58 0.02 0.00 0.00 177.57 178.16 1p3b h VAL 87 N -0.20 0.70 -0.32 2.57 2.07 -0.44 0.38 116.25 121.01 1p3b h VAL 87 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1p3b h VAL 87 Cb 0.37 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1p3b h VAL 87 CO 0.00 0.00 0.14 1.88 0.02 0.00 0.00 177.57 179.62 1p3b h TYR 88 N -0.01 0.26 -0.02 1.57 0.99 -0.74 -0.33 116.97 118.68 1p3b h TYR 88 Ca 0.14 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.92 1p3b h TYR 88 Cb 0.22 -0.07 -0.05 0.00 1.00 0.00 0.00 36.73 37.83 1p3b h TYR 88 CO -0.28 0.13 -0.33 0.00 -0.00 0.00 0.00 178.16 177.68 1p3b h ALA 89 N 1.18 -0.47 -0.55 3.88 0.00 0.23 -1.01 119.26 122.50 1p3b h ALA 89 Ca 0.13 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1p3b h ALA 89 Cb 0.07 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1p3b h ALA 89 CO -0.11 -0.84 0.14 -0.07 0.00 0.00 0.00 179.25 178.37 1p3b h LEU 90 N -0.47 0.07 -0.39 0.00 3.38 0.04 -0.22 115.31 117.71 1p3b h LEU 90 Ca 0.07 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1p3b h LEU 90 Cb 0.57 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1p3b h LEU 90 CO -0.29 0.05 -0.12 0.50 0.09 0.00 0.00 178.44 178.67 1p3b h LYS 91 N 0.29 -0.03 -0.70 1.13 3.64 -0.17 0.31 116.57 121.04 1p3b h LYS 91 Ca 0.28 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1p3b h LYS 91 Cb 0.38 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1p3b h LYS 91 CO -0.34 -0.02 0.42 0.00 -2.27 0.00 0.00 179.45 177.24 1p3b h ARG 92 N -0.04 0.76 0.00 1.90 3.08 0.11 0.20 114.38 120.39 1p3b h ARG 92 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1p3b h ARG 92 Cb 0.33 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1p3b h ARG 92 CO -0.42 0.50 0.00 1.04 -1.07 0.00 0.00 179.97 180.02 1p3b n GLN 93 N -4.72 0.53 -2.23 0.04 1.13 -0.18 -4.78 117.38 107.17 1p3b n GLN 93 Ca 0.08 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1p3b n GLN 93 Cb 0.14 -1.29 -0.00 0.00 0.11 0.00 0.00 30.24 29.19 1p3b n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3b n GLY 94 N 0.04 0.01 2.34 1.08 0.00 0.69 -4.97 105.19 104.39 1p3b n GLY 94 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1p3b n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3b n ARG 95 N -1.92 1.37 -1.74 1.61 1.74 0.93 -5.00 116.66 113.65 1p3b n ARG 95 Ca -0.10 -3.81 -0.42 0.00 -0.77 0.00 0.00 57.85 52.75 1p3b n ARG 95 Cb 0.58 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1p3b n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1p3b n THR 96 N 1.38 1.42 -5.03 0.55 -1.04 -1.26 -4.04 114.28 106.26 1p3b n THR 96 Ca 0.25 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 1p3b n THR 96 Cb 0.47 -1.87 -0.16 0.00 -1.82 0.00 0.00 70.33 66.96 1p3b n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3b s LEU 97 N -0.94 2.01 0.05 -4.42 2.96 -1.26 -4.99 118.68 112.09 1p3b s LEU 97 Ca 0.60 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1p3b s LEU 97 Cb -0.52 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1p3b s LEU 97 CO 0.55 0.23 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.48 1p3b s TYR 98 N -0.31 2.98 0.00 5.38 1.51 -1.25 -4.69 117.35 120.97 1p3b s TYR 98 Ca 0.03 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1p3b s TYR 98 Cb -0.10 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1p3b s TYR 98 CO 0.01 0.45 0.00 0.41 -1.11 0.00 0.00 175.55 175.31 1p3b n GLY 99 N 0.99 1.02 1.38 0.71 0.00 -1.26 -4.99 105.19 103.04 1p3b n GLY 99 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1p3b n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3b n PHE 100 N -0.39 0.02 -0.78 1.61 3.01 -1.26 -5.02 117.46 114.64 1p3b n PHE 100 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.79 1p3b n PHE 100 Cb 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 1p3b n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3b n GLY 101 N 0.25 1.38 0.00 1.37 0.00 -1.26 -4.67 105.19 102.25 1p3b n GLY 101 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1p3b n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93