#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6g n ASN 25 N 0.00 0.00 0.22 -2.24 3.02 -1.26 0.71 115.26 115.71 3b6g n ASN 25 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 3b6g n ASN 25 Cb 0.00 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.61 3b6g n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3b6g h ILE 26 N 0.00 0.58 -0.00 2.41 6.09 -1.98 0.16 117.51 124.77 3b6g h ILE 26 Ca 0.00 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3b6g h ILE 26 Cb 0.00 1.79 0.00 0.00 0.47 0.00 0.00 36.82 39.08 3b6g h ILE 26 CO 0.00 0.23 -0.23 0.00 -3.07 0.00 0.00 178.15 175.08 3b6g n GLN 27 N -3.40 0.40 0.23 2.19 1.13 0.22 -3.67 117.38 114.49 3b6g n GLN 27 Ca 0.00 -0.18 0.10 0.00 -1.94 0.00 0.00 57.00 54.98 3b6g n GLN 27 Cb 0.44 -1.50 0.51 0.00 0.11 0.00 0.00 30.24 29.80 3b6g n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3b6g h GLY 28 N 4.97 0.00 -5.13 1.08 0.00 -0.65 -3.41 103.07 99.94 3b6g h GLY 28 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3b6g h GLY 28 CO 0.00 0.00 0.58 -0.42 0.00 0.00 0.00 176.54 176.70 3b6g s ILE 29 N -3.81 4.78 0.13 2.60 -1.09 -1.17 -4.93 121.20 117.71 3b6g s ILE 29 Ca -0.01 1.87 -0.11 0.00 -2.23 0.00 0.00 60.65 60.18 3b6g s ILE 29 Cb 0.11 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 3b6g s ILE 29 CO 0.63 -0.05 0.46 0.42 -1.23 0.00 0.00 174.94 175.18 3b6g s THR 30 N 2.51 5.00 0.26 2.92 -4.23 -1.26 -4.96 115.64 115.87 3b6g s THR 30 Ca 0.43 0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 61.45 3b6g s THR 30 Cb -0.16 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.25 3b6g s THR 30 CO 0.12 0.20 1.73 0.50 -0.54 0.00 0.00 174.62 176.62 3b6g h LYS 31 N 3.42 0.45 -0.24 3.99 3.64 -1.95 0.48 116.57 126.36 3b6g h LYS 31 Ca -0.48 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 3b6g h LYS 31 Cb 1.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3b6g h LYS 31 CO 0.67 0.30 -0.31 -1.00 -2.27 0.00 0.00 179.45 176.84 3b6g h PRO 32 N 0.46 0.50 -0.69 1.90 0.13 -1.98 -0.96 132.00 131.36 3b6g h PRO 32 Ca 0.46 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 65.34 3b6g h PRO 32 Cb 0.73 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 3b6g h PRO 32 CO -0.43 0.76 0.33 0.00 -0.23 0.00 0.00 178.00 178.43 3b6g h ALA 33 N 1.23 0.89 -0.48 -0.56 0.00 -1.63 0.86 119.26 119.58 3b6g h ALA 33 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3b6g h ALA 33 Cb 0.76 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3b6g h ALA 33 CO 0.06 0.46 0.29 0.82 0.00 0.00 0.00 179.25 180.88 3b6g h ILE 34 N 0.96 1.06 -0.52 0.00 2.04 -0.87 0.26 117.51 120.43 3b6g h ILE 34 Ca 0.24 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3b6g h ILE 34 Cb 0.12 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3b6g h ILE 34 CO -0.03 0.11 0.21 -0.09 0.00 0.00 0.00 178.15 178.35 3b6g h ARG 35 N 0.58 0.75 -0.22 2.37 2.43 -0.33 0.13 114.38 120.09 3b6g h ARG 35 Ca 0.19 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3b6g h ARG 35 Cb 0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3b6g h ARG 35 CO -0.08 0.62 -0.13 0.00 -1.51 0.00 0.00 179.97 178.86 3b6g h ARG 36 N 0.75 0.48 -0.04 0.20 3.08 0.15 -0.77 114.38 118.22 3b6g h ARG 36 Ca 0.18 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3b6g h ARG 36 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3b6g h ARG 36 CO -0.02 0.77 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.27 3b6g h LEU 37 N 0.18 0.07 -0.14 3.04 3.38 -0.32 -2.94 115.31 118.58 3b6g h LEU 37 Ca 0.05 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 3b6g h LEU 37 Cb 0.64 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3b6g h LEU 37 CO 0.04 0.39 -0.93 0.00 0.09 0.00 0.00 178.44 178.03 3b6g h ALA 38 N 1.61 0.30 -0.92 1.53 0.00 -0.68 -3.22 119.26 117.90 3b6g h ALA 38 Ca 0.01 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3b6g h ALA 38 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3b6g h ALA 38 CO 0.04 0.74 0.61 0.00 0.00 0.00 0.00 179.25 180.64 3b6g h ARG 39 N 0.35 1.20 0.00 0.00 2.47 -1.01 -0.44 114.38 116.95 3b6g h ARG 39 Ca -0.09 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 3b6g h ARG 39 Cb 1.56 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3b6g h ARG 39 CO 0.17 0.79 -0.09 -0.09 0.56 0.00 0.00 179.97 181.31 3b6g h ARG 40 N 1.24 0.00 0.00 0.04 2.43 -1.57 0.18 114.38 116.70 3b6g h ARG 40 Ca 0.34 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3b6g h ARG 40 Cb -0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3b6g h ARG 40 CO -0.08 0.09 -0.24 0.78 -1.51 0.00 0.00 179.97 179.02 3b6g h GLY 41 N 0.55 0.00 -0.20 2.80 0.00 -1.09 -3.47 103.07 101.66 3b6g h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b6g h GLY 41 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3b6g n GLY 42 N 0.13 0.55 3.31 4.60 0.00 0.64 -5.12 105.19 109.31 3b6g n GLY 42 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3b6g n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b6g s VAL 43 N -1.30 2.80 -0.12 1.61 1.01 -1.16 -5.02 120.40 118.21 3b6g s VAL 43 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3b6g s VAL 43 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3b6g s VAL 43 CO 0.00 0.52 -0.12 0.50 0.00 0.00 0.00 175.10 176.01 3b6g h LYS 44 N 6.99 0.00 -4.80 2.72 3.64 -1.94 -3.41 116.57 119.77 3b6g h LYS 44 Ca -0.28 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.42 3b6g h LYS 44 Cb 1.21 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.76 3b6g h LYS 44 CO 0.55 0.00 -0.62 0.50 -2.27 0.00 0.00 179.45 177.61 3b6g s ARG 45 N -1.98 3.08 -0.36 1.90 3.52 -1.26 -5.07 118.95 118.78 3b6g s ARG 45 Ca -0.10 -0.86 -0.09 0.00 -0.13 0.00 0.00 55.73 54.56 3b6g s ARG 45 Cb 0.01 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3b6g s ARG 45 CO 0.14 -0.44 0.16 0.42 -0.81 0.00 0.00 175.30 174.76 3b6g s ILE 46 N 1.49 4.16 1.06 4.11 1.01 -1.26 -5.09 121.20 126.68 3b6g s ILE 46 Ca 0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 3b6g s ILE 46 Cb -0.17 -3.35 0.23 0.00 0.01 0.00 0.00 42.46 39.18 3b6g s ILE 46 CO 0.02 -0.22 1.08 -0.55 0.00 0.00 0.00 174.94 175.27 3b6g s SER 47 N 1.50 1.73 0.08 3.58 0.15 -1.26 -4.96 113.70 114.51 3b6g s SER 47 Ca 0.00 1.83 -0.14 0.00 0.70 0.00 0.00 55.95 58.35 3b6g s SER 47 Cb -0.19 -2.44 -0.22 0.00 -1.71 0.00 0.00 66.02 61.45 3b6g s SER 47 CO 0.05 -3.79 1.21 1.23 1.20 0.00 0.00 173.24 173.13 3b6g h GLY 48 N -2.34 0.80 1.01 9.45 0.00 -2.05 -3.29 103.07 106.64 3b6g h GLY 48 Ca -0.54 -1.37 -0.05 0.00 0.00 0.00 0.00 47.33 45.38 3b6g h GLY 48 CO 0.46 1.21 0.20 1.41 0.00 0.00 0.00 176.54 179.82 3b6g h LEU 49 N 0.41 0.88 -0.24 3.11 3.38 -2.04 -3.27 115.31 117.55 3b6g h LEU 49 Ca -0.12 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3b6g h LEU 49 Cb 1.67 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 3b6g h LEU 49 CO 0.20 0.85 -0.09 -0.38 0.09 0.00 0.00 178.44 179.11 3b6g n ILE 50 N -4.40 -0.12 -0.33 1.22 2.08 -1.24 -0.88 119.36 115.69 3b6g n ILE 50 Ca 0.04 0.56 0.07 0.00 0.56 0.00 0.00 62.75 63.98 3b6g n ILE 50 Cb 0.20 -0.75 0.23 0.00 -0.75 0.00 0.00 39.64 38.58 3b6g n ILE 50 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3b6g h TYR 51 N 0.00 0.97 0.11 1.39 0.05 -1.78 0.31 116.97 118.03 3b6g h TYR 51 Ca 0.09 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 3b6g h TYR 51 Cb 0.15 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.59 3b6g h TYR 51 CO -0.21 0.33 -0.05 0.93 -1.05 0.00 0.00 178.16 178.10 3b6g h GLU 52 N 0.82 -0.15 -0.81 4.88 4.39 -1.27 -2.76 114.58 119.68 3b6g h GLU 52 Ca 0.48 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.39 3b6g h GLU 52 Cb 0.56 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.12 3b6g h GLU 52 CO -0.30 0.34 0.19 1.49 -1.16 0.00 0.00 179.01 179.57 3b6g h GLU 53 N -0.79 0.22 -0.51 2.33 4.57 -1.20 0.14 114.58 119.35 3b6g h GLU 53 Ca -0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3b6g h GLU 53 Cb 0.56 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3b6g h GLU 53 CO 0.03 0.15 0.24 1.15 -1.18 0.00 0.00 179.01 179.39 3b6g h THR 54 N 0.23 1.19 0.00 0.32 2.02 -0.50 0.52 112.91 116.70 3b6g h THR 54 Ca 0.48 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3b6g h THR 54 Cb 0.91 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3b6g h THR 54 CO -0.60 0.22 -0.13 0.03 0.37 0.00 0.00 175.52 175.41 3b6g h ARG 55 N 0.67 0.00 0.11 6.66 3.08 -0.48 0.32 114.38 124.74 3b6g h ARG 55 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3b6g h ARG 55 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3b6g h ARG 55 CO -0.02 0.13 -0.05 0.78 -1.07 0.00 0.00 179.97 179.74 3b6g h GLY 56 N 0.48 -0.15 0.71 0.04 0.00 -0.56 -3.04 103.07 100.55 3b6g h GLY 56 Ca -0.00 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.53 3b6g h GLY 56 CO 0.02 -0.05 0.49 -2.08 0.00 0.00 0.00 176.54 174.91 3b6g h VAL 57 N -0.66 0.79 -0.11 4.60 2.07 0.34 -0.65 116.25 122.63 3b6g h VAL 57 Ca -0.01 -0.13 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 3b6g h VAL 57 Cb 0.51 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3b6g h VAL 57 CO 0.02 0.07 -0.65 0.25 0.02 0.00 0.00 177.57 177.28 3b6g h LEU 58 N 0.37 0.50 -0.19 2.57 5.85 -0.47 -3.13 115.31 120.82 3b6g h LEU 58 Ca 0.36 -0.30 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 3b6g h LEU 58 Cb 0.86 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3b6g h LEU 58 CO -0.11 1.02 -0.58 0.50 -0.34 0.00 0.00 178.44 178.93 3b6g h LYS 59 N 0.32 0.74 -0.10 1.25 3.64 -1.02 -2.79 116.57 118.61 3b6g h LYS 59 Ca -0.01 -0.53 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 3b6g h LYS 59 Cb 1.20 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 3b6g h LYS 59 CO 0.11 1.15 -0.37 0.28 -2.27 0.00 0.00 179.45 178.35 3b6g h VAL 60 N 0.45 0.21 -0.37 2.00 2.07 -1.43 -0.18 116.25 119.01 3b6g h VAL 60 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3b6g h VAL 60 Cb 1.20 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 3b6g h VAL 60 CO 0.12 0.00 -0.25 0.15 0.02 0.00 0.00 177.57 177.61 3b6g h PHE 61 N -0.46 -0.67 0.48 1.57 3.57 -1.57 -2.43 116.94 117.43 3b6g h PHE 61 Ca 0.08 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3b6g h PHE 61 Cb 0.59 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3b6g h PHE 61 CO -0.43 -0.33 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.02 3b6g h LEU 62 N -0.20 -0.55 -0.96 0.59 3.38 -1.12 -1.32 115.31 115.13 3b6g h LEU 62 Ca 0.18 -0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.29 3b6g h LEU 62 Cb 0.48 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.19 3b6g h LEU 62 CO -0.48 -0.17 -0.15 -0.33 0.09 0.00 0.00 178.44 177.39 3b6g h GLU 63 N -0.99 0.01 -0.42 1.13 5.08 -1.06 -1.13 114.58 117.19 3b6g h GLU 63 Ca -0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3b6g h GLU 63 Cb 0.59 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3b6g h GLU 63 CO 0.11 0.00 0.15 -0.91 -1.00 0.00 0.00 179.01 177.37 3b6g h ASN 64 N 0.01 0.60 0.45 1.42 2.35 -1.18 -2.26 115.58 116.96 3b6g h ASN 64 Ca 0.50 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3b6g h ASN 64 Cb 0.86 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3b6g h ASN 64 CO -0.96 0.62 -0.22 0.58 -1.65 0.00 0.00 177.43 175.80 3b6g h VAL 65 N 0.54 0.45 -0.62 2.81 2.07 -0.09 -3.22 116.25 118.19 3b6g h VAL 65 Ca 0.14 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3b6g h VAL 65 Cb 0.22 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3b6g h VAL 65 CO -0.01 0.07 0.40 0.40 0.02 0.00 0.00 177.57 178.45 3b6g h ILE 66 N -0.91 1.13 -0.58 4.57 2.04 -1.29 0.33 117.51 122.80 3b6g h ILE 66 Ca -0.06 -0.28 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3b6g h ILE 66 Cb 0.57 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 36.79 3b6g h ILE 66 CO 0.10 0.15 -0.25 -0.09 0.00 0.00 0.00 178.15 178.06 3b6g h ARG 67 N 0.81 -0.10 0.05 2.37 2.43 -1.52 0.97 114.38 119.40 3b6g h ARG 67 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3b6g h ARG 67 Cb -0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3b6g h ARG 67 CO -0.07 -0.06 -0.02 -0.44 -1.51 0.00 0.00 179.97 177.87 3b6g h ASP 68 N -0.10 -0.05 0.07 -3.80 3.32 -1.33 -2.44 116.42 112.10 3b6g h ASP 68 Ca 0.26 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3b6g h ASP 68 Cb 0.51 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3b6g h ASP 68 CO -0.65 0.10 -0.30 0.00 -1.72 0.00 0.00 179.24 176.68 3b6g h ALA 69 N 0.74 -0.47 -0.73 3.45 0.00 0.03 -2.32 119.26 119.95 3b6g h ALA 69 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3b6g h ALA 69 Cb 0.18 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3b6g h ALA 69 CO 0.01 -0.83 0.48 0.28 0.00 0.00 0.00 179.25 179.19 3b6g h VAL 70 N -0.49 1.00 0.00 0.00 2.07 0.90 0.85 116.25 120.58 3b6g h VAL 70 Ca 0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3b6g h VAL 70 Cb 0.54 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3b6g h VAL 70 CO -0.21 0.13 -0.13 0.74 0.02 0.00 0.00 177.57 178.12 3b6g h THR 71 N 0.74 0.93 -0.01 2.57 2.02 -0.91 -0.33 112.91 117.91 3b6g h THR 71 Ca 0.32 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 3b6g h THR 71 Cb 0.31 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3b6g h THR 71 CO -0.11 0.13 -0.21 1.88 0.37 0.00 0.00 175.52 177.58 3b6g h TYR 72 N 0.00 0.23 -0.31 3.16 0.99 -0.48 -3.14 116.97 117.43 3b6g h TYR 72 Ca -0.00 -0.12 0.05 0.00 2.00 0.00 0.00 58.73 60.66 3b6g h TYR 72 Cb 0.26 -0.03 -0.08 0.00 1.00 0.00 0.00 36.73 37.88 3b6g h TYR 72 CO 0.00 0.88 -0.51 1.15 -0.00 0.00 0.00 178.16 179.68 3b6g h THR 73 N -0.48 0.04 0.00 -2.88 2.02 -0.87 -1.99 112.91 108.75 3b6g h THR 73 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3b6g h THR 73 Cb 0.93 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3b6g h THR 73 CO 0.04 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.77 3b6g h GLU 74 N -0.44 0.00 0.03 6.66 5.08 -1.17 -2.00 114.58 122.74 3b6g h GLU 74 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3b6g h GLU 74 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3b6g h GLU 74 CO -0.53 0.00 -0.36 1.25 -1.00 0.00 0.00 179.01 178.37 3b6g h HIS 75 N 0.00 0.29 0.00 4.33 2.76 -1.31 -3.21 115.15 118.02 3b6g h HIS 75 Ca 0.00 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3b6g h HIS 75 Cb 0.34 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.27 3b6g h HIS 75 CO 0.00 1.06 0.00 0.00 -1.30 0.00 0.00 177.93 177.69 3b6g n ALA 76 N -2.59 2.43 -3.45 5.26 0.00 -0.76 -4.89 120.51 116.51 3b6g n ALA 76 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 3b6g n ALA 76 Cb 0.59 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.06 3b6g n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b6g n LYS 77 N -0.01 -1.84 -3.94 0.00 5.02 -1.17 -5.01 118.16 111.21 3b6g n LYS 77 Ca 0.00 1.35 -0.10 0.00 -2.02 0.00 0.00 58.31 57.54 3b6g n LYS 77 Cb 0.22 -2.98 -0.11 0.00 -0.02 0.00 0.00 35.03 32.14 3b6g n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3b6g s ARG 78 N -3.24 0.39 -0.23 1.97 0.52 -1.19 -5.03 118.95 112.13 3b6g s ARG 78 Ca 0.22 -0.54 0.14 0.00 -0.52 0.00 0.00 55.73 55.04 3b6g s ARG 78 Cb -0.03 0.15 0.73 0.00 0.52 0.00 0.00 34.95 36.32 3b6g s ARG 78 CO 0.86 -0.08 1.66 1.63 0.02 0.00 0.00 175.30 179.39 3b6g n LYS 79 N 1.51 4.15 -3.72 3.54 5.02 -1.26 -4.46 118.16 122.94 3b6g n LYS 79 Ca -0.23 -3.07 -0.13 0.00 -2.02 0.00 0.00 58.31 52.85 3b6g n LYS 79 Cb 0.55 -2.14 -0.14 0.00 -0.02 0.00 0.00 35.03 33.29 3b6g n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3b6g s THR 80 N -2.83 -0.12 -0.39 -0.18 2.01 -1.26 -5.13 115.64 107.74 3b6g s THR 80 Ca 0.51 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 3b6g s THR 80 Cb 0.40 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.60 3b6g s THR 80 CO 0.13 0.08 1.10 -0.69 -0.69 0.00 0.00 174.62 174.55 3b6g s VAL 81 N 1.50 4.38 0.58 3.82 1.01 -1.26 -4.90 120.40 125.54 3b6g s VAL 81 Ca -0.06 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 3b6g s VAL 81 Cb -0.11 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3b6g s VAL 81 CO -0.07 -0.72 0.99 0.42 0.00 0.00 0.00 175.10 175.72 3b6g s THR 82 N 4.01 4.70 -2.00 3.92 -4.23 -1.26 -4.94 115.64 115.83 3b6g s THR 82 Ca 0.46 0.88 0.06 0.00 -1.18 0.00 0.00 61.69 61.91 3b6g s THR 82 Cb -0.10 -3.84 0.18 0.00 1.34 0.00 0.00 72.50 70.08 3b6g s THR 82 CO 0.23 -1.02 0.90 0.00 -0.54 0.00 0.00 174.62 174.18 3b6g n ALA 83 N -2.46 2.12 -0.10 3.99 0.00 -1.26 -2.01 120.51 120.79 3b6g n ALA 83 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 3b6g n ALA 83 Cb 0.54 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 3b6g n ALA 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3b6g n MET 84 N -0.67 0.80 -0.35 0.00 2.81 -1.26 -3.56 117.12 114.89 3b6g n MET 84 Ca 0.05 0.07 0.16 0.00 -1.81 0.00 0.00 57.70 56.17 3b6g n MET 84 Cb 0.02 -1.46 0.37 0.00 -0.71 0.00 0.00 33.22 31.44 3b6g n MET 84 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3b6g h ASP 85 N 0.00 0.71 -0.09 7.83 3.32 -1.74 0.12 116.42 126.57 3b6g h ASP 85 Ca -0.50 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 3b6g h ASP 85 Cb 1.93 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.48 3b6g h ASP 85 CO -0.03 0.18 -0.21 0.58 -1.72 0.00 0.00 179.24 178.04 3b6g h VAL 86 N 0.65 1.40 0.35 -1.35 2.07 -1.70 -2.25 116.25 115.43 3b6g h VAL 86 Ca 0.61 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3b6g h VAL 86 Cb 1.09 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3b6g h VAL 86 CO -0.41 0.44 -0.17 0.58 0.02 0.00 0.00 177.57 178.03 3b6g h VAL 87 N -0.15 0.67 -0.66 2.57 2.07 -1.48 0.62 116.25 119.90 3b6g h VAL 87 Ca -0.00 -0.25 0.19 0.00 0.82 0.00 0.00 66.70 67.46 3b6g h VAL 87 Cb 0.81 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3b6g h VAL 87 CO 0.05 0.05 0.56 1.88 0.02 0.00 0.00 177.57 180.13 3b6g h TYR 88 N -0.60 0.00 0.00 1.57 0.99 -0.86 0.33 116.97 118.40 3b6g h TYR 88 Ca -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 3b6g h TYR 88 Cb 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.17 3b6g h TYR 88 CO -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 178.16 178.00 3b6g h ALA 89 N 1.49 0.02 0.00 3.88 0.00 -0.72 -3.25 119.26 120.68 3b6g h ALA 89 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3b6g h ALA 89 Cb 1.43 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3b6g h ALA 89 CO -0.00 0.10 -0.04 -0.07 0.00 0.00 0.00 179.25 179.23 3b6g h LEU 90 N -1.00 0.00 0.60 0.00 3.38 0.11 -1.23 115.31 117.16 3b6g h LEU 90 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3b6g h LEU 90 Cb 0.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 3b6g h LEU 90 CO -0.02 0.04 -0.29 0.50 0.09 0.00 0.00 178.44 178.76 3b6g h LYS 91 N 0.00 -0.77 0.00 1.13 3.64 -0.52 0.13 116.57 120.18 3b6g h LYS 91 Ca -0.00 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3b6g h LYS 91 Cb 0.09 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3b6g h LYS 91 CO 0.00 -0.46 -0.60 0.07 -2.27 0.00 0.00 179.45 176.20 3b6g h ARG 92 N -1.08 0.00 -0.42 1.90 0.11 -1.52 -1.20 114.38 112.17 3b6g h ARG 92 Ca -0.08 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.07 3b6g h ARG 92 Cb 0.67 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.65 3b6g h ARG 92 CO 0.13 0.60 -0.42 1.96 0.10 0.00 0.00 179.97 182.34 3b6g h GLN 93 N 0.00 -0.30 0.00 0.08 1.08 -1.33 -3.46 115.11 111.18 3b6g h GLN 93 Ca -0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3b6g h GLN 93 Cb 1.07 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3b6g h GLN 93 CO 0.08 -0.20 0.00 0.41 -0.95 0.00 0.00 178.83 178.17 3b6g n GLY 94 N -1.41 0.43 2.54 3.46 0.00 -0.45 -5.08 105.19 104.67 3b6g n GLY 94 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3b6g n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b6g n ARG 95 N 0.00 1.83 -2.14 1.61 1.74 0.44 -5.02 116.66 115.12 3b6g n ARG 95 Ca 0.00 -4.27 -0.41 0.00 -0.77 0.00 0.00 57.85 52.40 3b6g n ARG 95 Cb 0.00 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 3b6g n ARG 95 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3b6g s THR 96 N -1.74 2.94 -0.26 0.55 2.01 -1.21 -4.32 115.64 113.62 3b6g s THR 96 Ca 0.34 0.82 0.03 0.00 0.31 0.00 0.00 61.69 63.18 3b6g s THR 96 Cb 0.08 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 69.13 3b6g s THR 96 CO -0.09 0.14 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.66 3b6g s LEU 97 N -0.59 3.28 0.21 4.42 2.96 -1.26 -5.01 118.68 122.69 3b6g s LEU 97 Ca 0.55 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 3b6g s LEU 97 Cb -0.39 -1.48 -0.08 0.00 0.50 0.00 0.00 46.19 44.74 3b6g s LEU 97 CO 0.43 -0.20 0.98 -0.31 -1.32 0.00 0.00 176.35 175.93 3b6g s TYR 98 N 1.16 3.86 0.00 5.38 2.02 -1.26 -4.53 117.35 123.98 3b6g s TYR 98 Ca -0.08 1.84 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 3b6g s TYR 98 Cb -0.20 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 3b6g s TYR 98 CO -0.05 0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 3b6g n GLY 99 N 1.69 -0.27 0.00 0.71 0.00 -1.26 -4.99 105.19 101.06 3b6g n GLY 99 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b6g n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3b6g n PHE 100 N 0.00 0.00 0.00 1.61 3.01 -1.26 -4.97 117.46 115.85 3b6g n PHE 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3b6g n PHE 100 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3b6g n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b6g n GLY 101 N 0.08 0.00 0.00 1.37 0.00 -1.26 -4.82 105.19 100.55 3b6g n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b6g n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93