#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtn s MET 1 N 0.00 1.42 -0.01 1.57 0.00 -1.07 -5.07 119.30 116.15 3mtn s MET 1 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 55.69 54.47 3mtn s MET 1 Cb 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 34.83 35.26 3mtn s MET 1 CO 0.00 -0.57 -0.08 1.14 0.00 0.00 0.00 175.02 175.51 3mtn s GLN 2 N -4.01 0.65 0.11 3.16 -2.07 -1.26 -2.17 119.66 114.07 3mtn s GLN 2 Ca 0.22 -0.28 0.06 0.00 -1.82 0.00 0.00 55.36 53.55 3mtn s GLN 2 Cb 0.01 -0.63 -0.04 0.00 -1.09 0.00 0.00 33.01 31.26 3mtn s GLN 2 CO 0.07 0.16 -0.16 0.96 -1.32 0.00 0.00 175.29 175.00 3mtn s ILE 3 N -0.14 1.41 0.00 3.63 -4.36 -0.77 -3.25 121.20 117.73 3mtn s ILE 3 Ca 0.02 -1.62 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 3mtn s ILE 3 Cb -0.04 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 42.15 3mtn s ILE 3 CO -0.00 -0.30 0.39 -0.36 0.24 0.00 0.00 174.94 174.91 3mtn s PHE 4 N -1.76 3.70 -0.18 1.37 0.08 -0.34 -1.12 117.98 119.73 3mtn s PHE 4 Ca 0.07 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.05 3mtn s PHE 4 Cb -0.07 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3mtn s PHE 4 CO 0.03 0.63 -0.07 0.08 -0.10 0.00 0.00 175.22 175.80 3mtn s VAL 5 N -1.13 1.35 -0.41 -0.44 1.01 -0.15 -0.47 120.40 120.16 3mtn s VAL 5 Ca 0.25 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 3mtn s VAL 5 Cb -0.16 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3mtn s VAL 5 CO 0.13 0.13 0.82 -0.75 0.00 0.00 0.00 175.10 175.43 3mtn s LYS 6 N 1.52 3.62 0.88 2.72 2.20 -0.03 -1.02 119.74 129.64 3mtn s LYS 6 Ca -0.01 0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.65 3mtn s LYS 6 Cb -0.16 -3.87 0.20 0.00 -1.51 0.00 0.00 37.83 32.50 3mtn s LYS 6 CO -0.08 -0.99 1.20 0.25 -0.36 0.00 0.00 175.35 175.37 3mtn n THR 7 N 6.01 0.00 -0.17 3.43 -2.24 0.48 -1.78 114.28 120.00 3mtn n THR 7 Ca 0.04 -0.98 -0.03 0.00 -2.27 0.00 0.00 64.05 60.81 3mtn n THR 7 Cb 0.48 -1.47 0.04 0.00 -2.10 0.00 0.00 70.33 67.28 3mtn n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3mtn h LEU 8 N 0.00 -0.65 -0.76 3.22 4.07 -1.85 -0.13 115.31 119.20 3mtn h LEU 8 Ca -0.39 0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3mtn h LEU 8 Cb 1.11 0.39 0.00 0.00 1.08 0.00 0.00 40.66 43.24 3mtn h LEU 8 CO 0.29 -0.22 0.00 0.71 -1.08 0.00 0.00 178.44 178.14 3mtn h THR 9 N -0.06 0.00 0.00 0.22 1.35 -1.96 -3.46 112.91 109.01 3mtn h THR 9 Ca 0.25 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3mtn h THR 9 Cb 0.45 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3mtn h THR 9 CO -0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.30 3mtn n GLY 10 N 0.25 1.05 3.72 5.82 0.00 -0.06 -5.07 105.19 110.90 3mtn n GLY 10 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3mtn n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mtn n LYS 11 N -1.53 2.70 -3.65 1.61 4.81 -1.26 -4.58 118.16 116.26 3mtn n LYS 11 Ca 0.00 0.97 -0.36 0.00 -0.87 0.00 0.00 58.31 58.05 3mtn n LYS 11 Cb 0.00 -2.78 -0.08 0.00 0.02 0.00 0.00 35.03 32.18 3mtn n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3mtn s THR 12 N 0.69 5.36 0.12 3.15 2.01 -1.26 -0.39 115.64 125.32 3mtn s THR 12 Ca 0.71 0.28 0.03 0.00 0.31 0.00 0.00 61.69 63.02 3mtn s THR 12 Cb -0.52 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3mtn s THR 12 CO 0.39 0.38 0.16 0.27 -0.69 0.00 0.00 174.62 175.13 3mtn s ILE 13 N 0.73 4.81 -0.13 1.82 -4.36 -0.19 -4.94 121.20 118.96 3mtn s ILE 13 Ca 0.10 -0.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.66 3mtn s ILE 13 Cb -0.13 -3.41 -0.03 0.00 1.25 0.00 0.00 42.46 40.15 3mtn s ILE 13 CO 0.02 -0.01 -0.06 -0.89 0.24 0.00 0.00 174.94 174.24 3mtn s THR 14 N -1.62 3.68 0.05 8.37 2.01 -1.26 -0.97 115.64 125.89 3mtn s THR 14 Ca 0.32 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.95 3mtn s THR 14 Cb -0.11 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 3mtn s THR 14 CO 0.25 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.71 3mtn s LEU 15 N 0.04 2.33 -0.37 4.42 1.43 -0.27 -4.96 118.68 121.30 3mtn s LEU 15 Ca -0.01 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 3mtn s LEU 15 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3mtn s LEU 15 CO 0.03 0.26 0.52 -0.70 0.23 0.00 0.00 176.35 176.69 3mtn s GLU 16 N -1.33 3.51 0.21 1.70 2.56 -1.26 -1.84 118.70 122.25 3mtn s GLU 16 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 54.97 54.85 3mtn s GLU 16 Cb -0.10 -3.85 -0.05 0.00 2.00 0.00 0.00 34.13 32.13 3mtn s GLU 16 CO 0.03 -0.72 0.05 0.14 -0.56 0.00 0.00 175.26 174.21 3mtn s VAL 17 N 2.42 0.55 0.12 3.70 -7.23 -0.92 -5.04 120.40 114.00 3mtn s VAL 17 Ca 0.18 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.47 3mtn s VAL 17 Cb -0.15 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3mtn s VAL 17 CO 0.14 -0.24 -0.26 -1.61 -0.31 0.00 0.00 175.10 172.82 3mtn s GLU 18 N -3.99 1.39 0.24 4.82 0.41 -1.26 -2.59 118.70 117.73 3mtn s GLU 18 Ca 0.31 -1.30 0.17 0.00 -0.41 0.00 0.00 54.97 53.74 3mtn s GLU 18 Cb 0.07 -1.83 0.89 0.00 -1.78 0.00 0.00 34.13 31.48 3mtn s GLU 18 CO 0.08 0.44 1.51 -2.30 -0.49 0.00 0.00 175.26 174.50 3mtn n PRO 19 N 1.02 0.11 0.15 0.39 -0.02 -1.26 -0.84 135.00 134.54 3mtn n PRO 19 Ca -0.18 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.93 3mtn n PRO 19 Cb 0.53 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3mtn n PRO 19 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mtn h SER 20 N 0.00 0.00 -3.89 2.55 0.02 -1.99 -3.07 113.55 107.17 3mtn h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3mtn h SER 20 Cb 0.02 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.64 3mtn h SER 20 CO 0.00 0.47 0.73 -1.81 -1.14 0.00 0.00 176.83 175.07 3mtn s ASP 21 N -6.44 6.52 0.53 3.07 1.01 -0.02 -4.84 116.67 116.50 3mtn s ASP 21 Ca 0.04 2.90 -0.10 0.00 0.71 0.00 0.00 52.55 56.10 3mtn s ASP 21 Cb 0.08 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3mtn s ASP 21 CO 0.74 -0.74 0.91 0.42 0.21 0.00 0.00 175.17 176.71 3mtn s THR 22 N -1.08 4.76 0.55 -1.27 -4.23 -1.26 -2.74 115.64 110.38 3mtn s THR 22 Ca 0.52 0.66 0.35 0.00 -1.18 0.00 0.00 61.69 62.04 3mtn s THR 22 Cb -0.44 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 69.95 3mtn s THR 22 CO 0.58 -0.91 2.25 0.40 -0.54 0.00 0.00 174.62 176.41 3mtn h ILE 23 N 0.21 0.29 -0.25 2.99 5.03 -1.67 -0.16 117.51 123.95 3mtn h ILE 23 Ca -0.46 -0.14 0.03 0.00 -0.12 0.00 0.00 64.86 64.17 3mtn h ILE 23 Cb 1.19 1.10 -0.03 0.00 -3.03 0.00 0.00 36.82 36.06 3mtn h ILE 23 CO 0.62 0.02 0.06 -0.33 -0.68 0.00 0.00 178.15 177.85 3mtn h GLU 24 N 0.00 0.16 0.20 2.37 3.07 -1.88 -1.17 114.58 117.34 3mtn h GLU 24 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3mtn h GLU 24 Cb 0.10 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3mtn h GLU 24 CO 0.00 0.11 -0.10 -0.91 -1.40 0.00 0.00 179.01 176.71 3mtn h ASN 25 N 0.17 -0.23 -0.81 1.42 -0.26 -1.43 -1.15 115.58 113.28 3mtn h ASN 25 Ca 0.11 -0.05 0.16 0.00 -0.56 0.00 0.00 56.30 55.97 3mtn h ASN 25 Cb 0.10 0.06 -0.10 0.00 -1.06 0.00 0.00 38.32 37.32 3mtn h ASN 25 CO -0.14 -0.11 0.34 0.58 -1.06 0.00 0.00 177.43 177.05 3mtn h VAL 26 N -0.34 0.61 -0.63 2.81 2.07 -1.30 0.94 116.25 120.41 3mtn h VAL 26 Ca -0.03 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3mtn h VAL 26 Cb 0.26 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3mtn h VAL 26 CO 0.05 0.08 0.16 0.11 0.02 0.00 0.00 177.57 177.99 3mtn h LYS 27 N 0.46 1.00 -0.69 1.57 1.57 -0.93 -2.38 116.57 117.17 3mtn h LYS 27 Ca 0.46 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3mtn h LYS 27 Cb 0.75 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3mtn h LYS 27 CO -0.44 0.91 0.32 0.00 -0.57 0.00 0.00 179.45 179.67 3mtn h ALA 28 N 1.05 0.90 0.00 3.86 0.00 0.08 -1.74 119.26 123.41 3mtn h ALA 28 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mtn h ALA 28 Cb 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mtn h ALA 28 CO 0.00 0.48 -0.01 0.87 0.00 0.00 0.00 179.25 180.59 3mtn h LYS 29 N 0.97 0.00 0.16 0.00 1.79 -0.53 -2.37 116.57 116.59 3mtn h LYS 29 Ca 0.24 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.42 3mtn h LYS 29 Cb 0.15 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3mtn h LYS 29 CO -0.03 0.01 -1.36 0.82 -1.08 0.00 0.00 179.45 177.82 3mtn h ILE 30 N 0.00 1.16 -0.39 1.86 2.04 -0.86 -3.32 117.51 118.00 3mtn h ILE 30 Ca -0.00 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 3mtn h ILE 30 Cb 0.09 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 3mtn h ILE 30 CO 0.00 0.76 0.22 -0.61 0.00 0.00 0.00 178.15 178.52 3mtn h GLN 31 N -0.16 0.54 -0.69 2.37 4.15 -0.82 0.38 115.11 120.87 3mtn h GLN 31 Ca -0.27 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.14 3mtn h GLN 31 Cb 1.87 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 29.41 3mtn h GLN 31 CO 0.14 0.42 0.45 -0.44 -1.93 0.00 0.00 178.83 177.48 3mtn h ASP 32 N 0.50 0.69 0.87 -0.69 3.32 -1.69 0.34 116.42 119.76 3mtn h ASP 32 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3mtn h ASP 32 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3mtn h ASP 32 CO -0.02 0.47 -1.06 1.17 -1.72 0.00 0.00 179.24 178.07 3mtn n LYS 33 N -4.46 0.57 0.00 3.56 4.81 -0.90 -4.63 118.16 117.10 3mtn n LYS 33 Ca 0.09 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3mtn n LYS 33 Cb 0.15 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3mtn n LYS 33 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3mtn n GLU 34 N -2.56 3.49 -0.27 1.64 4.07 0.13 -5.05 120.64 122.09 3mtn n GLU 34 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3mtn n GLU 34 Cb 0.54 -0.64 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 3mtn n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mtn n GLY 35 N 0.83 1.34 3.68 8.31 0.00 0.12 -5.00 105.19 114.47 3mtn n GLY 35 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mtn n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtn s ILE 36 N -2.86 4.99 0.22 -0.61 1.01 -1.26 -5.02 121.20 117.67 3mtn s ILE 36 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3mtn s ILE 36 Cb 0.00 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 3mtn s ILE 36 CO 0.00 0.12 1.39 -2.84 0.00 0.00 0.00 174.94 173.61 3mtn s PRO 37 N 1.72 4.32 0.31 2.79 0.02 -1.26 -4.16 135.00 138.73 3mtn s PRO 37 Ca 0.33 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.59 3mtn s PRO 37 Cb -0.16 -3.15 0.81 0.00 0.02 0.00 0.00 34.50 32.02 3mtn s PRO 37 CO 0.13 -0.36 1.60 -1.35 -0.33 0.00 0.00 177.00 176.68 3mtn h PRO 38 N 5.32 0.08 0.00 5.54 0.11 -1.94 0.03 132.00 141.14 3mtn h PRO 38 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mtn h PRO 38 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mtn h PRO 38 CO 0.78 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3mtn n ASP 39 N -5.36 0.00 -0.00 -2.05 5.68 -1.26 -1.31 116.55 112.24 3mtn n ASP 39 Ca 0.24 -0.13 0.07 0.00 -0.50 0.00 0.00 54.79 54.47 3mtn n ASP 39 Cb 0.80 -0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.46 3mtn n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mtn n GLN 40 N -1.22 1.52 -2.54 0.11 6.02 -0.03 -5.00 117.38 116.24 3mtn n GLN 40 Ca 0.11 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 3mtn n GLN 40 Cb 0.14 -1.24 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 3mtn n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mtn s GLN 41 N -2.62 4.55 -0.12 -1.09 -0.21 -0.43 -4.39 119.66 115.36 3mtn s GLN 41 Ca 0.00 1.66 0.01 0.00 0.02 0.00 0.00 55.36 57.06 3mtn s GLN 41 Cb 0.10 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.79 3mtn s GLN 41 CO 0.58 -0.03 -0.16 1.03 -2.12 0.00 0.00 175.29 174.59 3mtn s ARG 42 N 0.33 2.32 -0.17 2.91 0.52 0.37 -4.99 118.95 120.24 3mtn s ARG 42 Ca 0.52 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 55.07 3mtn s ARG 42 Cb -0.27 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 3mtn s ARG 42 CO 0.31 -0.10 0.07 -0.51 0.02 0.00 0.00 175.30 175.10 3mtn s LEU 43 N 1.09 3.88 -0.16 2.53 2.01 -1.26 0.30 118.68 127.06 3mtn s LEU 43 Ca -0.04 0.13 0.01 0.00 0.01 0.00 0.00 54.13 54.24 3mtn s LEU 43 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 46.19 44.09 3mtn s LEU 43 CO -0.04 0.21 -0.19 -0.63 1.01 0.00 0.00 176.35 176.71 3mtn s ILE 44 N 0.18 2.24 -0.05 -0.59 1.01 0.78 -1.77 121.20 123.02 3mtn s ILE 44 Ca 0.05 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3mtn s ILE 44 Cb -0.12 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3mtn s ILE 44 CO 0.00 0.53 -0.12 0.12 0.00 0.00 0.00 174.94 175.48 3mtn s PHE 45 N 0.98 1.32 -1.91 3.97 5.36 -0.93 0.25 117.98 127.03 3mtn s PHE 45 Ca -0.03 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 3mtn s PHE 45 Cb -0.15 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 3mtn s PHE 45 CO -0.05 -0.20 0.00 0.00 -1.46 0.00 0.00 175.22 173.51 3mtn n ALA 46 N 3.57 -0.51 0.00 11.12 0.00 -1.26 -1.81 120.51 131.62 3mtn n ALA 46 Ca -0.21 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mtn n ALA 46 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3mtn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtn n GLY 47 N -0.82 2.58 3.82 0.00 0.00 -1.26 -5.02 105.19 104.49 3mtn n GLY 47 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3mtn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtn s LYS 48 N -0.23 4.10 0.30 1.61 1.02 -0.75 -5.08 119.74 120.71 3mtn s LYS 48 Ca 0.00 0.63 -0.28 0.00 0.02 0.00 0.00 55.97 56.34 3mtn s LYS 48 Cb 0.00 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 3mtn s LYS 48 CO 0.00 0.59 0.97 -1.14 -0.92 0.00 0.00 175.35 174.86 3mtn s GLN 49 N -1.38 4.64 -0.02 1.68 0.74 -1.26 -2.19 119.66 121.87 3mtn s GLN 49 Ca 0.31 1.46 -0.15 0.00 0.05 0.00 0.00 55.36 57.04 3mtn s GLN 49 Cb -0.18 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 30.90 3mtn s GLN 49 CO 0.18 0.31 0.39 -0.51 -0.55 0.00 0.00 175.29 175.12 3mtn s LEU 50 N -1.75 4.45 -0.13 3.68 1.02 -0.73 -4.98 118.68 120.24 3mtn s LEU 50 Ca 0.47 0.91 -0.12 0.00 0.02 0.00 0.00 54.13 55.41 3mtn s LEU 50 Cb -0.23 -2.56 -0.05 0.00 0.02 0.00 0.00 46.19 43.37 3mtn s LEU 50 CO 0.29 0.30 0.25 -1.61 0.02 0.00 0.00 176.35 175.60 3mtn s GLU 51 N -0.89 4.02 0.21 1.70 2.02 -1.26 -4.76 118.70 119.73 3mtn s GLU 51 Ca 0.23 0.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.96 3mtn s GLU 51 Cb -0.16 -3.34 -0.11 0.00 0.10 0.00 0.00 34.13 30.61 3mtn s GLU 51 CO 0.12 0.44 1.64 -0.51 0.02 0.00 0.00 175.26 176.97 3mtn s ASP 52 N -0.11 6.45 0.00 -0.19 1.01 -1.26 -2.58 116.67 119.99 3mtn s ASP 52 Ca 0.16 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.22 3mtn s ASP 52 Cb -0.13 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.20 3mtn s ASP 52 CO 0.05 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.13 3mtn n GLY 53 N 3.56 3.38 3.79 0.21 0.00 -1.26 -4.98 105.19 109.90 3mtn n GLY 53 Ca 0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3mtn n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mtn s ARG 54 N 0.00 3.49 0.48 1.61 1.81 -1.06 -4.80 118.95 120.47 3mtn s ARG 54 Ca 0.00 1.33 0.04 0.00 -1.72 0.00 0.00 55.73 55.38 3mtn s ARG 54 Cb 0.00 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 3mtn s ARG 54 CO 0.00 -0.69 0.67 0.95 -0.68 0.00 0.00 175.30 175.56 3mtn s THR 55 N -2.16 3.00 0.38 0.02 -4.23 -1.26 -2.09 115.64 109.30 3mtn s THR 55 Ca 0.67 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3mtn s THR 55 Cb -0.17 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.81 3mtn s THR 55 CO 0.29 -0.04 1.97 -0.07 -0.54 0.00 0.00 174.62 176.23 3mtn h LEU 56 N 0.36 0.46 -0.68 4.79 -0.00 -1.66 -2.16 115.31 116.41 3mtn h LEU 56 Ca -0.42 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.39 3mtn h LEU 56 Cb 1.28 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 3mtn h LEU 56 CO 0.50 0.44 0.34 -1.28 -0.00 0.00 0.00 178.44 178.44 3mtn h SER 57 N 0.51 0.88 -0.17 -0.43 0.87 -1.83 0.14 113.55 113.52 3mtn h SER 57 Ca 0.12 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3mtn h SER 57 Cb 0.14 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3mtn h SER 57 CO -0.01 0.75 0.12 0.44 -0.53 0.00 0.00 176.83 177.60 3mtn h ASP 58 N 0.94 0.09 -0.02 6.23 3.32 -1.69 -0.70 116.42 124.59 3mtn h ASP 58 Ca 0.24 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3mtn h ASP 58 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3mtn h ASP 58 CO -0.03 0.06 -0.25 -1.22 -1.72 0.00 0.00 179.24 176.08 3mtn n TYR 59 N -4.50 0.00 -3.22 4.55 4.01 -1.08 -4.98 117.16 111.94 3mtn n TYR 59 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 3mtn n TYR 59 Cb 0.18 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.26 3mtn n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mtn n ASN 60 N 0.59 -4.75 -4.73 7.72 2.85 -0.27 -4.99 115.26 111.69 3mtn n ASN 60 Ca 0.11 -0.36 -0.41 0.00 -0.11 0.00 0.00 54.58 53.80 3mtn n ASN 60 Cb 0.52 -3.54 -0.04 0.00 1.24 0.00 0.00 39.78 37.96 3mtn n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3mtn s ILE 61 N -3.22 4.00 0.42 -1.44 1.01 0.35 -5.01 121.20 117.32 3mtn s ILE 61 Ca 0.37 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.71 3mtn s ILE 61 Cb -0.16 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 3mtn s ILE 61 CO 0.49 0.23 0.08 -1.10 0.00 0.00 0.00 174.94 174.65 3mtn s GLN 62 N 0.06 2.08 -0.26 2.79 -1.52 -1.26 -4.75 119.66 116.81 3mtn s GLN 62 Ca 0.51 -2.03 -0.42 0.00 -1.95 0.00 0.00 55.36 51.48 3mtn s GLN 62 Cb -0.29 -1.77 -0.18 0.00 -0.22 0.00 0.00 33.01 30.56 3mtn s GLN 62 CO 0.33 -0.11 1.57 1.17 -0.25 0.00 0.00 175.29 177.99 3mtn n LYS 63 N -1.11 0.68 -1.04 2.91 4.81 -1.26 -0.97 118.16 122.18 3mtn n LYS 63 Ca -0.05 0.25 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 3mtn n LYS 63 Cb 0.66 -1.85 -0.01 0.00 0.02 0.00 0.00 35.03 33.85 3mtn n LYS 63 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3mtn n TRP 64 N 4.11 0.00 -1.72 5.64 5.03 -1.20 -4.99 117.44 124.31 3mtn n TRP 64 Ca 0.26 0.00 -0.38 0.00 3.03 0.00 0.00 57.50 60.41 3mtn n TRP 64 Cb 0.08 -1.39 0.06 0.00 -1.03 0.00 0.00 31.31 29.03 3mtn n TRP 64 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 3mtn n SER 65 N -0.58 2.20 -4.18 -0.99 7.64 -0.14 -4.72 113.62 112.85 3mtn n SER 65 Ca -0.01 0.89 -0.33 0.00 1.01 0.00 0.00 58.87 60.42 3mtn n SER 65 Cb 0.33 -1.55 -0.16 0.00 -1.01 0.00 0.00 64.21 61.82 3mtn n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mtn s THR 66 N -1.36 2.38 0.08 0.44 2.01 -1.26 -1.20 115.64 116.73 3mtn s THR 66 Ca 0.78 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3mtn s THR 66 Cb -0.40 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3mtn s THR 66 CO 0.44 0.52 0.19 -0.76 -0.69 0.00 0.00 174.62 174.32 3mtn s LEU 67 N 1.19 4.23 -0.11 4.42 1.02 0.38 -4.73 118.68 125.08 3mtn s LEU 67 Ca 0.02 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.37 3mtn s LEU 67 Cb -0.14 -2.85 -0.02 0.00 0.02 0.00 0.00 46.19 43.20 3mtn s LEU 67 CO -0.08 0.15 -0.11 -0.36 0.02 0.00 0.00 176.35 175.97 3mtn s PHE 68 N -1.52 2.83 -0.30 0.29 0.08 0.14 -0.85 117.98 118.65 3mtn s PHE 68 Ca 0.34 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 3mtn s PHE 68 Cb -0.12 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 3mtn s PHE 68 CO 0.27 -0.03 0.35 -1.17 -0.10 0.00 0.00 175.22 174.53 3mtn s LEU 69 N -0.03 4.19 0.40 -0.37 2.96 -0.73 -0.15 118.68 124.94 3mtn s LEU 69 Ca -0.02 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3mtn s LEU 69 Cb -0.14 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.12 3mtn s LEU 69 CO 0.04 -0.23 0.02 -0.76 -1.32 0.00 0.00 176.35 174.10 3mtn s LEU 70 N 2.02 2.71 0.00 -0.68 1.02 0.15 -4.35 118.68 119.54 3mtn s LEU 70 Ca 0.13 -1.38 0.00 0.00 0.02 0.00 0.00 54.13 52.89 3mtn s LEU 70 Cb -0.16 -0.79 0.00 0.00 0.02 0.00 0.00 46.19 45.26 3mtn s LEU 70 CO 0.11 -0.50 0.00 0.18 0.02 0.00 0.00 176.35 176.16 3mtn n LEU 71 N -0.92 0.00 -4.42 1.79 4.77 -1.26 -0.48 117.00 116.48 3mtn n LEU 71 Ca -0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.61 3mtn n LEU 71 Cb 0.67 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 3mtn n LEU 71 CO 0.47 0.00 -0.50 -0.13 -1.33 0.00 0.00 177.39 175.91 3mtn s ARG 72 N -0.86 2.32 -0.77 3.23 0.52 -1.26 -4.90 118.95 117.24 3mtn s ARG 72 Ca 0.00 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 3mtn s ARG 72 Cb 0.00 -2.24 0.19 0.00 0.52 0.00 0.00 34.95 33.42 3mtn s ARG 72 CO 0.00 0.59 0.59 -1.17 0.02 0.00 0.00 175.30 175.34 3mtn s LEU 73 N -0.76 5.10 0.50 2.53 2.96 -1.26 -5.10 118.68 122.65 3mtn s LEU 73 Ca 0.11 -3.76 -0.23 0.00 -0.22 0.00 0.00 54.13 50.03 3mtn s LEU 73 Cb -0.10 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 3mtn s LEU 73 CO 0.00 -0.13 1.34 -0.13 -1.32 0.00 0.00 176.35 176.12 3mtn s ARG 74 N -1.35 3.40 -0.03 1.98 0.52 -1.26 -5.03 118.95 117.17 3mtn s ARG 74 Ca 0.25 2.21 -0.20 0.00 -0.52 0.00 0.00 55.73 57.47 3mtn s ARG 74 Cb -0.07 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 33.04 3mtn s ARG 74 CO -0.14 -0.97 0.44 0.20 0.02 0.00 0.00 175.30 174.85 3mtn s GLY 75 N -0.89 -0.31 0.00 -3.53 0.00 -1.26 -5.35 107.32 95.98 3mtn s GLY 75 Ca 0.67 0.70 0.00 0.00 0.00 0.00 0.00 44.72 46.09 3mtn s GLY 75 CO 0.48 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.63