#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p71 s ASN 2 N 0.00 4.86 0.16 6.12 2.20 -1.26 -4.88 114.94 122.14 1p71 s ASN 2 Ca 0.00 -0.66 -0.22 0.00 -0.94 0.00 0.00 52.86 51.04 1p71 s ASN 2 Cb 0.00 0.15 0.06 0.00 -2.00 0.00 0.00 41.25 39.46 1p71 s ASN 2 CO 0.00 -1.50 1.61 0.50 -2.94 0.00 0.00 177.10 174.77 1p71 h LYS 3 N -0.05 -0.22 -0.57 3.55 3.64 -2.05 0.85 116.57 121.72 1p71 h LYS 3 Ca -0.32 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1p71 h LYS 3 Cb 1.28 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1p71 h LYS 3 CO 0.41 -0.15 0.38 0.78 -2.27 0.00 0.00 179.45 178.59 1p71 h GLY 4 N -0.23 0.72 1.69 5.01 0.00 -2.00 -1.19 103.07 107.08 1p71 h GLY 4 Ca 0.17 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 1p71 h GLY 4 CO -0.49 0.21 -1.14 0.83 0.00 0.00 0.00 176.54 175.95 1p71 h GLU 5 N 0.62 0.24 -0.36 4.80 5.08 -1.72 -2.77 114.58 120.46 1p71 h GLU 5 Ca 0.23 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1p71 h GLU 5 Cb 0.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1p71 h GLU 5 CO -0.06 1.15 -0.06 1.25 -1.00 0.00 0.00 179.01 180.29 1p71 h LEU 6 N 0.08 0.67 -0.68 1.33 5.85 -0.35 -2.71 115.31 119.49 1p71 h LEU 6 Ca -0.10 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1p71 h LEU 6 Cb 1.86 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 1p71 h LEU 6 CO 0.18 0.86 0.43 0.58 -0.34 0.00 0.00 178.44 180.15 1p71 h VAL 7 N 0.46 1.11 -0.65 1.05 2.07 -1.29 -1.16 116.25 117.85 1p71 h VAL 7 Ca 0.09 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1p71 h VAL 7 Cb 0.55 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1p71 h VAL 7 CO 0.03 0.16 0.41 0.44 0.02 0.00 0.00 177.57 178.63 1p71 h ASP 8 N 0.86 0.69 0.10 0.57 5.19 -1.48 -0.38 116.42 121.97 1p71 h ASP 8 Ca 0.27 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.57 1p71 h ASP 8 Cb -0.01 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 1p71 h ASP 8 CO -0.09 0.49 -0.33 0.00 -3.12 0.00 0.00 179.24 176.18 1p71 h ALA 9 N 1.26 1.13 0.00 3.45 0.00 -1.08 -3.11 119.26 120.91 1p71 h ALA 9 Ca 0.25 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1p71 h ALA 9 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1p71 h ALA 9 CO -0.09 0.56 -1.25 0.28 0.00 0.00 0.00 179.25 178.75 1p71 h VAL 10 N 0.29 0.82 -0.61 0.00 2.07 -0.94 -3.00 116.25 114.88 1p71 h VAL 10 Ca 0.04 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1p71 h VAL 10 Cb 0.73 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1p71 h VAL 10 CO 0.06 0.47 0.38 0.00 0.02 0.00 0.00 177.57 178.50 1p71 h ALA 11 N 1.28 1.52 0.17 1.67 0.00 -1.05 -2.77 119.26 120.08 1p71 h ALA 11 Ca -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1p71 h ALA 11 Cb 1.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1p71 h ALA 11 CO 0.07 0.43 -0.08 0.93 0.00 0.00 0.00 179.25 180.59 1p71 h GLU 12 N 0.84 -0.22 -0.57 0.00 4.39 -1.52 -1.77 114.58 115.73 1p71 h GLU 12 Ca 0.22 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1p71 h GLU 12 Cb -0.06 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1p71 h GLU 12 CO -0.04 0.20 0.27 0.87 -1.16 0.00 0.00 179.01 179.14 1p71 h LYS 13 N -0.78 0.80 0.00 2.33 1.57 -1.58 -2.99 116.57 115.93 1p71 h LYS 13 Ca -0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1p71 h LYS 13 Cb 0.52 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1p71 h LYS 13 CO 0.04 0.63 -0.70 0.00 -0.57 0.00 0.00 179.45 178.84 1p71 n ALA 14 N -2.45 3.23 -3.17 3.86 0.00 -1.05 -4.99 120.51 115.94 1p71 n ALA 14 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1p71 n ALA 14 Cb 0.13 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 18.56 1p71 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p71 n SER 15 N -1.90 -2.24 -2.59 0.00 7.64 -0.87 -5.08 113.62 108.57 1p71 n SER 15 Ca 0.03 -0.52 -0.06 0.00 1.01 0.00 0.00 58.87 59.34 1p71 n SER 15 Cb 0.41 -4.34 -0.01 0.00 -1.01 0.00 0.00 64.21 59.26 1p71 n SER 15 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1p71 n VAL 16 N -3.56 0.00 -1.41 0.44 0.24 -0.72 -5.07 118.33 108.26 1p71 n VAL 16 Ca -0.23 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.29 1p71 n VAL 16 Cb 0.64 -0.17 0.11 0.00 -1.47 0.00 0.00 33.84 32.95 1p71 n VAL 16 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1p71 s THR 17 N -0.94 2.83 0.24 3.34 -1.32 -1.26 -4.67 115.64 113.85 1p71 s THR 17 Ca 0.04 0.27 -0.02 0.00 -1.21 0.00 0.00 61.69 60.77 1p71 s THR 17 Cb -0.00 -2.91 0.04 0.00 -1.51 0.00 0.00 72.50 68.12 1p71 s THR 17 CO 0.02 -0.35 1.65 0.11 -2.21 0.00 0.00 174.62 173.84 1p71 h LYS 18 N -1.30 0.65 0.00 7.08 1.57 -1.92 -2.74 116.57 119.90 1p71 h LYS 18 Ca -0.48 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.02 1p71 h LYS 18 Cb 1.28 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1p71 h LYS 18 CO 0.57 0.85 -0.06 -0.22 -0.57 0.00 0.00 179.45 180.02 1p71 h LYS 19 N 0.57 0.00 0.08 3.15 3.64 -1.96 -1.09 116.57 120.96 1p71 h LYS 19 Ca 0.08 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.09 1p71 h LYS 19 Cb 0.73 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1p71 h LYS 19 CO 0.06 0.06 -2.14 1.04 -2.27 0.00 0.00 179.45 176.20 1p71 n GLN 20 N -3.39 0.72 -0.03 1.90 6.02 -1.14 -2.58 117.38 118.89 1p71 n GLN 20 Ca -0.02 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.12 1p71 n GLN 20 Cb 0.22 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 1p71 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p71 h ALA 21 N 0.10 -0.03 -0.32 -1.58 0.00 -1.43 0.68 119.26 116.69 1p71 h ALA 21 Ca -0.47 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p71 h ALA 21 Cb 2.00 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 1p71 h ALA 21 CO 0.04 -0.59 0.19 0.22 0.00 0.00 0.00 179.25 179.10 1p71 h ASP 22 N -0.17 0.39 -0.15 0.00 1.82 -1.34 0.26 116.42 117.23 1p71 h ASP 22 Ca 0.12 -0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.60 1p71 h ASP 22 Cb 0.34 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 1p71 h ASP 22 CO -0.29 0.34 -0.19 0.00 -1.61 0.00 0.00 179.24 177.49 1p71 h ALA 23 N 1.06 1.10 -0.02 -0.78 0.00 -1.35 0.12 119.26 119.39 1p71 h ALA 23 Ca 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1p71 h ALA 23 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p71 h ALA 23 CO -0.02 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 1p71 h VAL 24 N 0.51 1.31 0.00 0.00 2.07 -0.56 -2.37 116.25 117.21 1p71 h VAL 24 Ca 0.08 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1p71 h VAL 24 Cb 0.61 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1p71 h VAL 24 CO 0.04 0.25 -0.00 0.25 0.02 0.00 0.00 177.57 178.13 1p71 h LEU 25 N -0.33 -0.00 -0.40 2.57 5.85 -0.29 -0.62 115.31 122.08 1p71 h LEU 25 Ca 0.01 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1p71 h LEU 25 Cb 0.41 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1p71 h LEU 25 CO 0.00 0.02 0.01 0.74 -0.34 0.00 0.00 178.44 178.87 1p71 h THR 26 N -0.02 0.70 -0.37 1.05 2.02 -0.85 -1.18 112.91 114.26 1p71 h THR 26 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1p71 h THR 26 Cb 0.02 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1p71 h THR 26 CO 0.00 0.02 0.23 0.00 0.37 0.00 0.00 175.52 176.15 1p71 h ALA 27 N 1.35 0.47 -0.76 6.16 0.00 -1.15 -1.70 119.26 123.63 1p71 h ALA 27 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1p71 h ALA 27 Cb 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1p71 h ALA 27 CO -0.33 -0.05 0.49 0.00 0.00 0.00 0.00 179.25 179.36 1p71 h ALA 28 N 1.11 1.00 -0.26 0.00 0.00 -0.32 -0.58 119.26 120.21 1p71 h ALA 28 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1p71 h ALA 28 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1p71 h ALA 28 CO -0.03 0.30 -0.21 -0.07 0.00 0.00 0.00 179.25 179.24 1p71 h LEU 29 N 0.95 0.63 -0.72 0.00 3.38 -0.95 -1.05 115.31 117.55 1p71 h LEU 29 Ca 0.30 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1p71 h LEU 29 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1p71 h LEU 29 CO -0.10 0.95 0.40 -0.33 0.09 0.00 0.00 178.44 179.45 1p71 h GLU 30 N 0.32 1.01 -0.26 1.13 5.08 -1.14 -1.54 114.58 119.18 1p71 h GLU 30 Ca 0.05 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1p71 h GLU 30 Cb 0.75 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1p71 h GLU 30 CO 0.05 0.75 0.07 1.15 -1.00 0.00 0.00 179.01 180.03 1p71 h THR 31 N 1.00 1.21 -0.33 1.13 2.02 -0.98 -1.43 112.91 115.53 1p71 h THR 31 Ca 0.26 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1p71 h THR 31 Cb 0.03 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1p71 h THR 31 CO -0.04 0.22 0.08 0.40 0.37 0.00 0.00 175.52 176.55 1p71 h ILE 32 N 0.25 0.86 -0.89 3.11 2.04 -1.06 0.11 117.51 121.92 1p71 h ILE 32 Ca 0.08 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1p71 h ILE 32 Cb 0.27 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1p71 h ILE 32 CO -0.00 0.04 0.58 0.40 0.00 0.00 0.00 178.15 179.17 1p71 h ILE 33 N 0.20 1.17 -0.14 -0.67 2.04 -1.10 0.42 117.51 119.43 1p71 h ILE 33 Ca 0.15 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1p71 h ILE 33 Cb 0.16 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1p71 h ILE 33 CO -0.19 0.21 -0.16 -0.33 0.00 0.00 0.00 178.15 177.69 1p71 h GLU 34 N 1.15 0.36 -0.12 2.37 4.39 -0.93 0.48 114.58 122.27 1p71 h GLU 34 Ca 0.35 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1p71 h GLU 34 Cb -0.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1p71 h GLU 34 CO -0.11 0.75 -0.03 0.00 -1.16 0.00 0.00 179.01 178.46 1p71 h ALA 35 N 0.60 0.08 -0.26 3.43 0.00 -0.49 -1.70 119.26 120.92 1p71 h ALA 35 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1p71 h ALA 35 Cb 0.69 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1p71 h ALA 35 CO 0.04 -0.49 0.09 0.28 0.00 0.00 0.00 179.25 179.17 1p71 h VAL 36 N -0.01 1.19 -0.25 0.00 2.07 -0.86 -0.15 116.25 118.25 1p71 h VAL 36 Ca 0.06 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1p71 h VAL 36 Cb 0.10 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1p71 h VAL 36 CO -0.13 0.19 0.21 0.28 0.02 0.00 0.00 177.57 178.14 1p71 h SER 37 N 0.26 0.00 -0.36 0.57 0.02 -0.73 0.01 113.55 113.32 1p71 h SER 37 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1p71 h SER 37 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1p71 h SER 37 CO -0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1p71 n SER 38 N -4.17 2.46 0.00 3.07 3.41 -0.65 -4.93 113.62 112.81 1p71 n SER 38 Ca 0.03 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1p71 n SER 38 Cb 0.35 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1p71 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p71 n GLY 39 N 1.27 0.76 3.85 5.00 0.00 -0.01 -5.07 105.19 110.99 1p71 n GLY 39 Ca 0.17 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1p71 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p71 s ASP 40 N -2.17 6.78 -0.12 1.61 3.68 -0.10 -4.92 116.67 121.44 1p71 s ASP 40 Ca 0.00 1.03 -0.17 0.00 2.13 0.00 0.00 52.55 55.55 1p71 s ASP 40 Cb 0.00 -2.27 -0.04 0.00 -1.45 0.00 0.00 42.92 39.15 1p71 s ASP 40 CO 0.00 0.07 0.42 -0.75 0.13 0.00 0.00 175.17 175.04 1p71 s LYS 41 N -2.12 4.28 -0.36 4.34 2.20 -1.26 -3.80 119.74 123.02 1p71 s LYS 41 Ca 0.39 0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 56.22 1p71 s LYS 41 Cb -0.14 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1p71 s LYS 41 CO 0.19 0.22 0.24 0.08 -0.36 0.00 0.00 175.35 175.73 1p71 s VAL 42 N 0.45 5.18 -0.23 4.02 1.01 -0.08 -4.96 120.40 125.79 1p71 s VAL 42 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 1p71 s VAL 42 Cb -0.15 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1p71 s VAL 42 CO 0.09 -0.08 -0.11 -0.89 0.00 0.00 0.00 175.10 174.10 1p71 s THR 43 N 1.69 2.50 -0.36 3.92 2.01 -1.26 -0.46 115.64 123.69 1p71 s THR 43 Ca 0.05 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 1p71 s THR 43 Cb -0.18 -2.23 0.09 0.00 0.01 0.00 0.00 72.50 70.19 1p71 s THR 43 CO 0.10 0.28 0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 1p71 s LEU 44 N 1.28 4.68 0.14 4.42 1.43 -0.29 -5.01 118.68 125.32 1p71 s LEU 44 Ca 0.00 -1.80 -0.34 0.00 -1.03 0.00 0.00 54.13 50.97 1p71 s LEU 44 Cb -0.16 -1.74 -0.17 0.00 0.03 0.00 0.00 46.19 44.15 1p71 s LEU 44 CO -0.07 -0.41 1.07 0.52 0.23 0.00 0.00 176.35 177.69 1p71 n VAL 45 N 4.53 0.82 -0.98 -1.59 0.31 -1.26 -1.06 118.33 119.10 1p71 n VAL 45 Ca -0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1p71 n VAL 45 Cb 0.42 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1p71 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p71 n GLY 46 N 1.95 0.43 1.80 2.92 0.00 -1.26 -4.79 105.19 106.22 1p71 n GLY 46 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1p71 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p71 n PHE 47 N -2.61 -1.91 -2.84 1.61 7.35 -0.22 -4.63 117.46 114.21 1p71 n PHE 47 Ca 0.00 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 1p71 n PHE 47 Cb 0.11 0.46 0.00 0.00 0.35 0.00 0.00 39.48 40.41 1p71 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p71 n GLY 48 N 1.92 -0.50 3.13 7.13 0.00 -0.88 -0.54 105.19 115.45 1p71 n GLY 48 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 1p71 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p71 s SER 49 N -4.00 1.26 -0.08 1.61 1.04 -0.01 -1.14 113.70 112.39 1p71 s SER 49 Ca 0.00 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1p71 s SER 49 Cb 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1p71 s SER 49 CO 0.00 -0.20 -0.19 -0.36 0.98 0.00 0.00 173.24 173.47 1p71 s PHE 50 N -1.76 2.60 0.17 5.02 0.40 0.40 -1.00 117.98 123.81 1p71 s PHE 50 Ca -0.02 -0.57 -0.13 0.00 -0.60 0.00 0.00 56.93 55.60 1p71 s PHE 50 Cb -0.07 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1p71 s PHE 50 CO 0.01 -0.12 0.39 -1.83 0.70 0.00 0.00 175.22 174.36 1p71 s GLU 51 N -0.16 1.23 0.01 0.44 -1.05 -0.41 -0.90 118.70 117.87 1p71 s GLU 51 Ca -0.02 -1.00 -0.24 0.00 -0.15 0.00 0.00 54.97 53.56 1p71 s GLU 51 Cb -0.14 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1p71 s GLU 51 CO 0.04 -0.48 0.72 0.45 0.95 0.00 0.00 175.26 176.94 1p71 s SER 52 N -2.91 7.12 -0.05 0.83 0.15 -1.26 -0.12 113.70 117.46 1p71 s SER 52 Ca 0.12 1.34 0.04 0.00 0.70 0.00 0.00 55.95 58.15 1p71 s SER 52 Cb 0.01 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1p71 s SER 52 CO -0.03 0.00 -0.15 -0.13 1.20 0.00 0.00 173.24 174.13 1p71 s ARG 53 N 0.11 2.50 0.24 5.44 0.52 0.16 -4.93 118.95 122.98 1p71 s ARG 53 Ca 0.37 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 1p71 s ARG 53 Cb -0.19 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 32.83 1p71 s ARG 53 CO 0.21 0.60 0.96 -1.21 0.02 0.00 0.00 175.30 175.88 1p71 s GLU 54 N -0.68 4.84 -0.11 3.54 0.41 -1.26 -0.78 118.70 124.65 1p71 s GLU 54 Ca 0.10 1.52 0.02 0.00 -0.41 0.00 0.00 54.97 56.20 1p71 s GLU 54 Cb -0.11 -3.27 0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1p71 s GLU 54 CO 0.01 0.48 -0.17 0.50 -0.49 0.00 0.00 175.26 175.59 1p71 s ARG 55 N -1.17 2.37 0.80 1.61 6.06 -0.60 -4.94 118.95 123.08 1p71 s ARG 55 Ca 0.41 -0.62 -0.10 0.00 -2.50 0.00 0.00 55.73 52.92 1p71 s ARG 55 Cb -0.26 -1.99 0.07 0.00 0.06 0.00 0.00 34.95 32.83 1p71 s ARG 55 CO 0.33 -0.05 1.10 0.15 -2.50 0.00 0.00 175.30 174.33 1p71 s LYS 56 N 0.96 2.02 0.58 5.12 1.02 -1.26 -1.63 119.74 126.54 1p71 s LYS 56 Ca -0.07 1.25 -0.20 0.00 0.02 0.00 0.00 55.97 56.98 1p71 s LYS 56 Cb -0.15 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1p71 s LYS 56 CO -0.02 -1.84 1.13 0.00 -0.92 0.00 0.00 175.35 173.71 1p71 n ALA 57 N -3.65 0.73 -2.99 5.17 0.00 -1.26 -4.49 120.51 114.02 1p71 n ALA 57 Ca 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1p71 n ALA 57 Cb 0.53 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 1p71 n ALA 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p71 s ARG 58 N -2.85 1.62 -0.11 0.00 1.70 -0.07 -4.91 118.95 114.32 1p71 s ARG 58 Ca 0.75 -1.45 -0.09 0.00 -0.47 0.00 0.00 55.73 54.47 1p71 s ARG 58 Cb -0.42 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.35 1p71 s ARG 58 CO 0.47 -0.66 0.20 -1.83 -1.08 0.00 0.00 175.30 172.40 1p71 s GLU 59 N -3.72 3.71 0.00 3.89 -1.05 -1.26 0.84 118.70 121.11 1p71 s GLU 59 Ca 0.27 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1p71 s GLU 59 Cb 0.00 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.44 1p71 s GLU 59 CO 0.13 0.64 0.00 0.41 0.95 0.00 0.00 175.26 177.39 1p71 n GLY 60 N 2.31 4.67 3.20 -3.83 0.00 -0.47 -4.86 105.19 106.20 1p71 n GLY 60 Ca -0.18 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1p71 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p71 s ARG 61 N -0.28 0.37 -0.24 1.61 3.52 -1.26 -0.68 118.95 122.00 1p71 s ARG 61 Ca 0.00 0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 1p71 s ARG 61 Cb 0.00 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1p71 s ARG 61 CO 0.00 -0.05 1.21 1.21 -0.81 0.00 0.00 175.30 176.86 1p71 s ASN 62 N 0.13 6.90 0.49 -2.12 3.04 -0.07 -4.92 114.94 118.39 1p71 s ASN 62 Ca -0.00 1.41 0.28 0.00 0.04 0.00 0.00 52.86 54.59 1p71 s ASN 62 Cb -0.02 -2.54 1.09 0.00 -1.54 0.00 0.00 41.25 38.24 1p71 s ASN 62 CO 0.01 -0.85 1.89 1.55 -3.04 0.00 0.00 177.10 176.65 1p71 h PRO 63 N 8.35 0.00 0.13 0.43 0.13 -1.96 0.38 132.00 139.46 1p71 h PRO 63 Ca -0.24 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.60 1p71 h PRO 63 Cb 1.09 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.25 1p71 h PRO 63 CO 1.00 0.12 -1.20 0.87 -0.23 0.00 0.00 178.00 178.56 1p71 h LYS 64 N 0.00 0.59 0.00 0.86 1.79 -1.98 -3.40 116.57 114.43 1p71 h LYS 64 Ca -0.00 -0.80 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1p71 h LYS 64 Cb 0.65 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1p71 h LYS 64 CO 0.02 1.36 -0.59 0.25 -1.08 0.00 0.00 179.45 179.41 1p71 n THR 65 N -3.84 0.00 -1.06 -0.16 -2.24 -1.18 -5.00 114.28 100.80 1p71 n THR 65 Ca -0.14 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1p71 n THR 65 Cb 0.97 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.96 1p71 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p71 n ASN 66 N -1.32 -4.82 -4.73 3.42 5.15 0.13 -5.00 115.26 108.09 1p71 n ASN 66 Ca 0.00 0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.62 1p71 n ASN 66 Cb 0.09 -2.50 -0.05 0.00 -0.53 0.00 0.00 39.78 36.79 1p71 n ASN 66 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1p71 s GLU 67 N -1.53 4.74 0.53 1.20 2.12 -1.25 -4.74 118.70 119.76 1p71 s GLU 67 Ca 0.00 1.48 -0.22 0.00 0.36 0.00 0.00 54.97 56.58 1p71 s GLU 67 Cb 0.00 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1p71 s GLU 67 CO 0.00 0.29 1.39 0.15 -0.54 0.00 0.00 175.26 176.54 1p71 s LYS 68 N -0.33 3.23 0.11 4.30 -0.14 -1.26 -0.89 119.74 124.76 1p71 s LYS 68 Ca 0.45 2.31 0.00 0.00 -1.36 0.00 0.00 55.97 57.38 1p71 s LYS 68 Cb -0.24 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1p71 s LYS 68 CO 0.31 -1.14 -0.01 0.00 -0.76 0.00 0.00 175.35 173.74 1p71 s MET 69 N -2.81 0.86 -0.24 1.68 0.23 0.15 -4.84 119.30 114.32 1p71 s MET 69 Ca 0.69 -1.37 -0.06 0.00 -1.03 0.00 0.00 55.69 53.92 1p71 s MET 69 Cb -0.42 -0.00 -0.02 0.00 -1.53 0.00 0.00 34.83 32.85 1p71 s MET 69 CO 0.51 -0.12 0.04 -2.00 -2.03 0.00 0.00 175.02 171.41 1p71 s GLU 70 N -3.92 3.58 -0.26 3.16 2.12 -1.26 -1.37 118.70 120.75 1p71 s GLU 70 Ca 0.16 -0.52 -0.27 0.00 0.36 0.00 0.00 54.97 54.71 1p71 s GLU 70 Cb 0.07 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1p71 s GLU 70 CO -0.03 -0.19 0.94 0.42 -0.54 0.00 0.00 175.26 175.86 1p71 s ILE 71 N 1.56 4.72 0.91 -3.70 1.01 0.25 -4.94 121.20 121.02 1p71 s ILE 71 Ca 0.06 1.71 -0.11 0.00 0.00 0.00 0.00 60.65 62.31 1p71 s ILE 71 Cb -0.15 -4.24 0.14 0.00 0.01 0.00 0.00 42.46 38.22 1p71 s ILE 71 CO 0.02 -0.20 1.10 -2.84 0.00 0.00 0.00 174.94 173.02 1p71 s PRO 72 N 3.11 1.11 0.66 2.79 0.02 -1.26 -0.90 135.00 140.53 1p71 s PRO 72 Ca 0.39 1.18 -0.17 0.00 0.02 0.00 0.00 61.00 62.42 1p71 s PRO 72 Cb -0.15 -1.76 -0.00 0.00 0.02 0.00 0.00 34.50 32.61 1p71 s PRO 72 CO 0.09 -2.45 1.25 0.00 -0.33 0.00 0.00 177.00 175.56 1p71 s ALA 73 N -2.75 2.33 0.02 -1.55 0.00 -1.26 -4.46 121.76 114.08 1p71 s ALA 73 Ca 0.65 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 1p71 s ALA 73 Cb -0.21 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1p71 s ALA 73 CO 0.58 -1.60 0.03 -2.37 0.00 0.00 0.00 175.76 172.40 1p71 n THR 74 N -2.09 0.00 -4.52 0.00 5.66 -0.65 -4.91 114.28 107.78 1p71 n THR 74 Ca 0.15 -0.08 -0.22 0.00 -3.05 0.00 0.00 64.05 60.85 1p71 n THR 74 Cb 0.49 0.06 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 1p71 n THR 74 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p71 s ARG 75 N -2.03 1.09 0.02 1.09 0.52 -1.26 -1.55 118.95 116.83 1p71 s ARG 75 Ca 0.01 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1p71 s ARG 75 Cb -0.00 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 1p71 s ARG 75 CO 0.01 0.28 -0.07 0.14 0.02 0.00 0.00 175.30 175.68 1p71 s VAL 76 N -0.63 0.55 0.37 3.52 -7.23 0.04 -4.93 120.40 112.09 1p71 s VAL 76 Ca 0.04 -0.72 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 1p71 s VAL 76 Cb -0.07 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 1p71 s VAL 76 CO 0.01 -0.13 1.08 -2.16 -0.31 0.00 0.00 175.10 173.58 1p71 s PRO 77 N -0.93 4.26 0.01 4.82 0.04 -1.26 0.38 135.00 142.32 1p71 s PRO 77 Ca -0.04 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1p71 s PRO 77 Cb -0.06 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1p71 s PRO 77 CO 0.00 -0.08 -0.04 0.00 0.04 0.00 0.00 177.00 176.92 1p71 s ALA 78 N -1.49 0.32 -0.08 8.56 0.00 0.83 -4.87 121.76 125.03 1p71 s ALA 78 Ca 0.54 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1p71 s ALA 78 Cb -0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1p71 s ALA 78 CO 0.33 0.03 -0.12 0.12 0.00 0.00 0.00 175.76 176.12 1p71 s PHE 79 N -0.44 2.78 -0.22 0.00 5.36 -1.26 -1.29 117.98 122.92 1p71 s PHE 79 Ca -0.02 -0.25 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1p71 s PHE 79 Cb -0.04 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 40.98 1p71 s PHE 79 CO -0.00 0.10 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.61 1p71 s SER 80 N -0.43 3.71 0.31 6.13 0.01 -0.17 -4.98 113.70 118.27 1p71 s SER 80 Ca 0.05 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.01 1p71 s SER 80 Cb -0.12 -1.42 -0.10 0.00 0.21 0.00 0.00 66.02 64.59 1p71 s SER 80 CO 0.02 -0.12 1.24 0.00 0.41 0.00 0.00 173.24 174.79 1p71 s ALA 81 N 1.26 3.47 0.92 1.44 0.00 -1.26 -0.83 121.76 126.75 1p71 s ALA 81 Ca -0.02 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1p71 s ALA 81 Cb -0.17 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.66 1p71 s ALA 81 CO -0.08 -0.48 1.11 0.20 0.00 0.00 0.00 175.76 176.51 1p71 s GLY 82 N -0.56 1.59 0.29 0.00 0.00 0.30 -4.80 107.32 104.13 1p71 s GLY 82 Ca 0.48 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1p71 s GLY 82 CO 0.48 0.18 1.82 0.50 0.00 0.00 0.00 173.10 176.08 1p71 h LYS 83 N -1.55 0.92 0.03 2.90 1.57 -1.95 -1.18 116.57 117.31 1p71 h LYS 83 Ca -0.51 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1p71 h LYS 83 Cb 1.31 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1p71 h LYS 83 CO 0.59 0.61 -0.01 1.25 -0.57 0.00 0.00 179.45 181.32 1p71 h LEU 84 N 0.95 -0.03 -0.59 2.94 5.85 -1.92 -0.31 115.31 122.20 1p71 h LEU 84 Ca 0.52 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1p71 h LEU 84 Cb 0.58 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1p71 h LEU 84 CO -0.29 0.29 0.26 0.15 -0.34 0.00 0.00 178.44 178.51 1p71 h PHE 85 N -0.36 0.46 -0.60 1.25 3.04 -1.75 -0.42 116.94 118.56 1p71 h PHE 85 Ca -0.00 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.87 1p71 h PHE 85 Cb 0.34 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1p71 h PHE 85 CO 0.03 0.16 -0.02 0.00 -2.02 0.00 0.00 178.31 176.47 1p71 h ARG 86 N 0.47 1.08 0.00 1.11 3.08 -1.06 -2.64 114.38 116.42 1p71 h ARG 86 Ca 0.29 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1p71 h ARG 86 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1p71 h ARG 86 CO -0.25 1.06 -0.34 0.93 -1.07 0.00 0.00 179.97 180.29 1p71 h GLU 87 N 0.97 0.00 -0.15 0.04 5.08 -0.70 -2.06 114.58 117.76 1p71 h GLU 87 Ca 0.17 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.31 1p71 h GLU 87 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1p71 h GLU 87 CO 0.03 0.34 -0.77 0.87 -1.00 0.00 0.00 179.01 178.48 1p71 h LYS 88 N 0.00 0.75 -0.20 2.33 1.79 -0.89 -2.29 116.57 118.06 1p71 h LYS 88 Ca -0.00 -0.61 -0.15 0.00 -2.18 0.00 0.00 60.65 57.71 1p71 h LYS 88 Cb 1.04 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1p71 h LYS 88 CO 0.04 1.22 -0.49 0.28 -1.08 0.00 0.00 179.45 179.42 1p71 h VAL 89 N 0.51 1.32 -2.31 0.50 2.07 -1.44 -3.39 116.25 113.51 1p71 h VAL 89 Ca -0.05 -1.71 -0.57 0.00 0.82 0.00 0.00 66.70 65.19 1p71 h VAL 89 Cb 1.39 1.70 -0.37 0.00 -1.52 0.00 0.00 31.29 32.49 1p71 h VAL 89 CO 0.16 0.53 -0.95 0.00 0.02 0.00 0.00 177.57 177.33 1p71 s ALA 90 N -4.08 1.19 0.03 1.67 0.00 -0.78 -5.12 121.76 114.67 1p71 s ALA 90 Ca -0.07 -2.31 -0.38 0.00 0.00 0.00 0.00 51.96 49.20 1p71 s ALA 90 Cb 0.12 -1.64 -0.17 0.00 0.00 0.00 0.00 23.12 21.42 1p71 s ALA 90 CO 0.83 -1.99 1.36 -2.30 0.00 0.00 0.00 175.76 173.66 1p71 n PRO 91 N 2.93 1.03 -1.80 0.00 -0.02 -0.86 -4.52 135.00 131.77 1p71 n PRO 91 Ca 0.28 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1p71 n PRO 91 Cb 0.48 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1p71 n PRO 91 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1p71 s PRO 92 N 0.81 4.13 0.00 0.52 0.02 -1.26 -5.11 135.00 134.11 1p71 s PRO 92 Ca 0.87 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.45 1p71 s PRO 92 Cb -1.00 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 30.49 1p71 s PRO 92 CO 0.50 -0.61 0.00 1.17 -0.33 0.00 0.00 177.00 177.73