#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i63 h LEU 4 N 0.00 -0.70 -0.79 1.09 5.85 -2.05 0.36 115.31 119.08 3i63 h LEU 4 Ca 0.00 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3i63 h LEU 4 Cb 0.00 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3i63 h LEU 4 CO 0.00 -0.25 0.19 0.00 -0.34 0.00 0.00 178.44 178.04 3i63 h ALA 5 N 0.96 1.01 0.10 1.25 0.00 -2.05 -2.00 119.26 118.53 3i63 h ALA 5 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i63 h ALA 5 Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i63 h ALA 5 CO -0.41 0.65 -0.05 -0.44 0.00 0.00 0.00 179.25 179.00 3i63 h ASP 6 N 1.05 -0.11 -0.52 0.00 3.32 -1.86 -0.45 116.42 117.84 3i63 h ASP 6 Ca 0.22 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3i63 h ASP 6 Cb 0.34 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3i63 h ASP 6 CO -0.00 0.12 0.07 1.56 -1.72 0.00 0.00 179.24 179.26 3i63 h GLN 7 N -0.34 0.88 -0.22 3.56 4.20 -0.79 -0.65 115.11 121.74 3i63 h GLN 7 Ca -0.01 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3i63 h GLN 7 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3i63 h GLN 7 CO 0.02 0.87 0.06 0.00 -0.67 0.00 0.00 178.83 179.10 3i63 h ALA 8 N 0.97 1.68 -0.05 3.87 0.00 -1.18 -2.51 119.26 122.05 3i63 h ALA 8 Ca 0.16 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3i63 h ALA 8 Cb 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3i63 h ALA 8 CO 0.01 0.25 -0.88 1.25 0.00 0.00 0.00 179.25 179.88 3i63 h LEU 9 N 0.32 0.67 -7.83 0.00 5.85 0.34 -3.38 115.31 111.28 3i63 h LEU 9 Ca 0.08 -0.49 -0.70 0.00 0.84 0.00 0.00 57.88 57.60 3i63 h LEU 9 Cb 0.13 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 40.82 3i63 h LEU 9 CO -0.00 1.28 1.66 -1.00 -0.34 0.00 0.00 178.44 180.03 3i63 s HIS 10 N -3.45 3.11 0.05 1.25 3.76 -0.45 -4.87 115.29 114.70 3i63 s HIS 10 Ca -0.07 -1.78 0.02 0.00 -0.15 0.00 0.00 55.06 53.08 3i63 s HIS 10 Cb 0.09 -4.52 -0.03 0.00 1.11 0.00 0.00 32.58 29.23 3i63 s HIS 10 CO 0.88 -1.61 -0.07 0.54 -0.85 0.00 0.00 174.74 173.63 3i63 s ASN 11 N 3.61 0.86 -0.21 1.40 2.20 -1.26 -4.95 114.94 116.59 3i63 s ASN 11 Ca 0.47 -0.68 0.11 0.00 -0.94 0.00 0.00 52.86 51.81 3i63 s ASN 11 Cb -0.00 0.06 0.43 0.00 -2.00 0.00 0.00 41.25 39.74 3i63 s ASN 11 CO 0.02 -0.30 1.21 0.59 -2.94 0.00 0.00 177.10 175.68 3i63 n ASN 12 N 1.02 2.06 -4.71 3.54 4.13 -1.26 -4.69 115.26 115.35 3i63 n ASN 12 Ca -0.20 -3.79 -0.42 0.00 1.68 0.00 0.00 54.58 51.85 3i63 n ASN 12 Cb 0.57 -0.50 -0.03 0.00 -1.54 0.00 0.00 39.78 38.28 3i63 n ASN 12 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3i63 s ASN 13 N -3.23 6.95 0.08 6.41 0.02 -1.26 -0.39 114.94 123.53 3i63 s ASN 13 Ca 0.39 2.17 0.03 0.00 -1.02 0.00 0.00 52.86 54.43 3i63 s ASN 13 Cb 0.38 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 3i63 s ASN 13 CO -0.06 -0.57 -0.09 0.68 0.02 0.00 0.00 177.10 177.08 3i63 s VAL 14 N 1.11 0.80 0.00 1.60 -7.23 -0.31 -4.41 120.40 111.97 3i63 s VAL 14 Ca 0.62 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3i63 s VAL 14 Cb -0.33 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3i63 s VAL 14 CO 0.30 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3i63 n GLY 15 N 0.64 2.27 3.82 2.32 0.00 0.42 -1.40 105.19 113.26 3i63 n GLY 15 Ca -0.17 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3i63 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i63 s PRO 16 N -1.72 4.26 -0.29 1.61 0.04 -1.17 -1.55 135.00 136.18 3i63 s PRO 16 Ca 0.00 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 3i63 s PRO 16 Cb 0.00 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 3i63 s PRO 16 CO 0.00 0.16 0.09 0.42 0.04 0.00 0.00 177.00 177.72 3i63 s ILE 17 N -1.88 4.15 -0.21 0.56 1.09 0.02 -1.61 121.20 123.32 3i63 s ILE 17 Ca 0.54 -0.55 -0.07 0.00 -1.10 0.00 0.00 60.65 59.46 3i63 s ILE 17 Cb -0.13 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.13 3i63 s ILE 17 CO 0.18 0.12 0.07 -0.63 -0.10 0.00 0.00 174.94 174.57 3i63 s ILE 18 N 1.54 4.61 0.67 2.92 -1.09 -0.41 -0.87 121.20 128.57 3i63 s ILE 18 Ca 0.04 -0.09 -0.16 0.00 -2.23 0.00 0.00 60.65 58.21 3i63 s ILE 18 Cb -0.17 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 3i63 s ILE 18 CO 0.03 0.41 1.15 0.00 -1.23 0.00 0.00 174.94 175.30 3i63 s ARG 19 N 0.84 2.65 0.09 2.79 1.70 -0.29 -0.88 118.95 125.85 3i63 s ARG 19 Ca 0.04 1.54 -0.36 0.00 -0.47 0.00 0.00 55.73 56.47 3i63 s ARG 19 Cb -0.14 -1.92 -0.17 0.00 -0.57 0.00 0.00 34.95 32.15 3i63 s ARG 19 CO 0.02 -1.39 1.24 0.00 -1.08 0.00 0.00 175.30 174.10 3i63 n ALA 20 N -2.37 -1.48 0.00 7.88 0.00 0.44 -4.60 120.51 120.37 3i63 n ALA 20 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i63 n ALA 20 Cb 0.51 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3i63 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i63 n GLY 21 N 2.23 -0.11 0.14 0.00 0.00 -1.26 -4.95 105.19 101.25 3i63 n GLY 21 Ca 0.18 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 45.00 3i63 n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i63 n ASP 22 N 0.25 0.48 0.03 1.61 3.85 -1.26 -3.09 116.55 118.42 3i63 n ASP 22 Ca 0.00 -0.91 0.11 0.00 -0.71 0.00 0.00 54.79 53.29 3i63 n ASP 22 Cb 0.00 -0.04 0.06 0.00 -1.35 0.00 0.00 41.12 39.79 3i63 n ASP 22 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3i63 n LEU 23 N -0.75 0.63 0.38 -2.12 7.99 -1.26 -4.55 117.00 117.32 3i63 n LEU 23 Ca 0.19 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.00 3i63 n LEU 23 Cb 0.23 -0.12 -0.10 0.00 -0.11 0.00 0.00 43.42 43.32 3i63 n LEU 23 CO 0.20 0.04 0.54 0.58 -1.51 0.00 0.00 177.39 177.24 3i63 h VAL 24 N 0.00 0.02 -0.45 4.08 2.07 -1.79 -1.66 116.25 118.51 3i63 h VAL 24 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3i63 h VAL 24 Cb 0.70 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3i63 h VAL 24 CO 0.00 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.22 3i63 h GLU 25 N -1.13 0.82 -0.73 1.57 4.39 -1.83 -1.75 114.58 115.92 3i63 h GLU 25 Ca -0.09 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.37 3i63 h GLU 25 Cb 0.93 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 3i63 h GLU 25 CO 0.04 0.90 0.48 -1.35 -1.16 0.00 0.00 179.01 177.92 3i63 h PRO 26 N 0.66 0.81 -0.14 2.33 0.11 -1.80 0.16 132.00 134.14 3i63 h PRO 26 Ca 0.12 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.99 3i63 h PRO 26 Cb 0.56 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3i63 h PRO 26 CO 0.03 0.53 -0.70 0.28 -0.21 0.00 0.00 178.00 177.93 3i63 h VAL 27 N 0.83 1.33 0.31 3.15 2.07 -1.04 0.34 116.25 123.23 3i63 h VAL 27 Ca 0.30 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 3i63 h VAL 27 Cb 0.14 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3i63 h VAL 27 CO -0.09 0.62 -0.15 0.40 0.02 0.00 0.00 177.57 178.37 3i63 h ILE 28 N 0.42 0.72 -1.00 4.57 2.04 -0.85 0.11 117.51 123.53 3i63 h ILE 28 Ca -0.03 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3i63 h ILE 28 Cb 1.29 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3i63 h ILE 28 CO 0.13 0.05 0.66 -0.33 0.00 0.00 0.00 178.15 178.66 3i63 h GLU 29 N -0.53 1.27 -0.64 2.37 5.08 -0.57 -1.64 114.58 119.92 3i63 h GLU 29 Ca -0.04 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3i63 h GLU 29 Cb 0.39 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3i63 h GLU 29 CO 0.07 0.84 0.42 1.15 -1.00 0.00 0.00 179.01 180.48 3i63 h THR 30 N 1.31 1.14 -0.42 1.13 2.02 -0.10 -1.87 112.91 116.11 3i63 h THR 30 Ca 0.39 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3i63 h THR 30 Cb -0.07 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3i63 h THR 30 CO -0.11 0.15 0.14 0.00 0.37 0.00 0.00 175.52 176.08 3i63 h ALA 31 N 1.25 1.46 -0.38 6.16 0.00 0.12 -0.36 119.26 127.51 3i63 h ALA 31 Ca 0.24 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3i63 h ALA 31 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3i63 h ALA 31 CO -0.07 0.41 -0.31 0.93 0.00 0.00 0.00 179.25 180.21 3i63 h GLU 32 N 0.60 0.89 -0.14 0.00 5.08 -0.70 -2.75 114.58 117.56 3i63 h GLU 32 Ca 0.14 -0.44 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 3i63 h GLU 32 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i63 h GLU 32 CO -0.01 1.09 -0.62 0.82 -1.00 0.00 0.00 179.01 179.29 3i63 h ILE 33 N 0.70 1.32 -0.00 3.13 2.04 -0.86 -3.26 117.51 120.58 3i63 h ILE 33 Ca 0.07 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3i63 h ILE 33 Cb 0.89 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3i63 h ILE 33 CO 0.08 0.58 -0.22 0.47 0.00 0.00 0.00 178.15 179.07 3i63 n ASP 34 N -4.09 0.53 -3.10 1.72 8.00 -0.19 -3.86 116.55 115.55 3i63 n ASP 34 Ca -0.08 -0.42 -0.24 0.00 0.71 0.00 0.00 54.79 54.77 3i63 n ASP 34 Cb 0.66 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 3i63 n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i63 n ASN 35 N -1.09 2.77 -4.77 -2.24 4.13 -1.04 -4.75 115.26 108.26 3i63 n ASN 35 Ca 0.11 -3.34 -0.41 0.00 1.68 0.00 0.00 54.58 52.62 3i63 n ASN 35 Cb 0.31 -0.60 -0.01 0.00 -1.54 0.00 0.00 39.78 37.95 3i63 n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i63 s PRO 36 N -2.81 4.14 -1.93 3.52 0.04 -1.25 -1.40 135.00 135.32 3i63 s PRO 36 Ca 0.44 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3i63 s PRO 36 Cb 0.28 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3i63 s PRO 36 CO -0.10 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3i63 n GLY 37 N 0.85 0.97 3.71 0.56 0.00 -1.26 -5.00 105.19 105.02 3i63 n GLY 37 Ca 0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3i63 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i63 s LYS 38 N -4.19 2.73 -0.15 1.61 -0.14 -0.49 -5.11 119.74 113.99 3i63 s LYS 38 Ca 0.00 -0.71 -0.27 0.00 -1.36 0.00 0.00 55.97 53.62 3i63 s LYS 38 Cb 0.00 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 3i63 s LYS 38 CO 0.00 0.58 0.93 -2.00 -0.76 0.00 0.00 175.35 174.10 3i63 s GLU 39 N -2.06 4.34 -0.12 1.68 2.12 -1.26 -5.00 118.70 118.40 3i63 s GLU 39 Ca 0.25 1.21 -0.24 0.00 0.36 0.00 0.00 54.97 56.54 3i63 s GLU 39 Cb -0.12 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3i63 s GLU 39 CO 0.16 -0.36 0.76 0.42 -0.54 0.00 0.00 175.26 175.71 3i63 s ILE 40 N 2.23 4.97 0.10 -3.70 -1.09 -1.26 -4.50 121.20 117.95 3i63 s ILE 40 Ca 0.43 1.53 0.04 0.00 -2.23 0.00 0.00 60.65 60.43 3i63 s ILE 40 Cb -0.17 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 3i63 s ILE 40 CO 0.14 0.14 0.04 0.42 -1.23 0.00 0.00 174.94 174.44 3i63 s THR 41 N 1.47 4.19 -0.07 2.92 -4.23 0.66 -4.92 115.64 115.65 3i63 s THR 41 Ca 0.38 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3i63 s THR 41 Cb -0.17 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.67 3i63 s THR 41 CO 0.16 0.08 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.60 3i63 s VAL 42 N -1.41 0.54 -0.16 2.29 1.01 -1.26 -0.31 120.40 121.10 3i63 s VAL 42 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 3i63 s VAL 42 Cb -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 3i63 s VAL 42 CO 0.20 0.27 -0.13 -1.61 0.00 0.00 0.00 175.10 173.83 3i63 s GLU 43 N 1.59 3.28 -0.39 2.72 2.02 0.37 -4.97 118.70 123.31 3i63 s GLU 43 Ca -0.00 -0.71 -0.15 0.00 0.02 0.00 0.00 54.97 54.13 3i63 s GLU 43 Cb -0.13 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.41 3i63 s GLU 43 CO -0.04 0.01 0.31 0.34 0.02 0.00 0.00 175.26 175.90 3i63 s ASP 44 N 0.85 6.12 -0.26 -0.19 3.68 -1.26 -0.24 116.67 125.36 3i63 s ASP 44 Ca -0.04 -0.73 0.12 0.00 2.13 0.00 0.00 52.55 54.04 3i63 s ASP 44 Cb -0.15 -2.17 0.55 0.00 -1.45 0.00 0.00 42.92 39.70 3i63 s ASP 44 CO -0.00 -0.41 1.51 0.54 0.13 0.00 0.00 175.17 176.93 3i63 n ARG 45 N 5.22 2.50 0.00 4.34 5.12 0.68 -4.99 116.66 129.53 3i63 n ARG 45 Ca -0.11 -3.02 0.00 0.00 -1.93 0.00 0.00 57.85 52.79 3i63 n ARG 45 Cb 0.48 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 3i63 n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i63 n ARG 46 N -0.78 0.00 0.21 5.56 0.63 -1.26 -3.96 116.66 117.07 3i63 n ARG 46 Ca 0.31 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.34 3i63 n ARG 46 Cb 1.05 0.00 0.24 0.00 0.45 0.00 0.00 32.46 34.21 3i63 n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i63 h ALA 47 N 0.00 0.94 -2.78 5.13 0.00 -1.96 -3.41 119.26 117.18 3i63 h ALA 47 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i63 h ALA 47 Cb 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 3i63 h ALA 47 CO 0.00 0.15 -0.02 1.52 0.00 0.00 0.00 179.25 180.90 3i63 s TYR 48 N -3.27 -0.27 -0.11 0.00 -0.85 -1.25 -0.42 117.35 111.17 3i63 s TYR 48 Ca 0.05 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.61 3i63 s TYR 48 Cb 0.07 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.74 3i63 s TYR 48 CO 0.66 -0.72 -0.13 0.08 -1.52 0.00 0.00 175.55 173.92 3i63 s VAL 49 N -3.70 1.40 -0.39 -3.49 1.01 -0.06 -0.23 120.40 114.95 3i63 s VAL 49 Ca 0.02 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 3i63 s VAL 49 Cb 0.01 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3i63 s VAL 49 CO -0.11 0.42 0.69 -0.60 0.00 0.00 0.00 175.10 175.50 3i63 s ARG 50 N 1.17 3.59 -0.17 2.72 3.52 0.66 -1.29 118.95 129.15 3i63 s ARG 50 Ca -0.03 0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 3i63 s ARG 50 Cb -0.14 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.38 3i63 s ARG 50 CO -0.04 -0.86 -0.06 0.42 -0.81 0.00 0.00 175.30 173.95 3i63 s ILE 51 N 2.90 3.48 0.09 4.11 1.01 -0.63 -0.48 121.20 131.67 3i63 s ILE 51 Ca 0.26 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 3i63 s ILE 51 Cb -0.14 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3i63 s ILE 51 CO 0.17 0.47 0.11 0.00 0.00 0.00 0.00 174.94 175.69 3i63 s ALA 52 N 0.80 0.15 0.18 9.38 0.00 0.57 -3.07 121.76 129.77 3i63 s ALA 52 Ca -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3i63 s ALA 52 Cb -0.15 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3i63 s ALA 52 CO 0.02 -0.47 0.21 0.00 0.00 0.00 0.00 175.76 175.52 3i63 s ALA 53 N -3.91 0.56 -0.19 0.00 0.00 -0.49 -0.24 121.76 117.49 3i63 s ALA 53 Ca 0.09 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 3i63 s ALA 53 Cb 0.06 1.08 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 3i63 s ALA 53 CO -0.08 -0.63 1.11 -2.00 0.00 0.00 0.00 175.76 174.16 3i63 s GLU 54 N -4.06 4.28 0.00 0.00 2.56 -1.26 -1.16 118.70 119.05 3i63 s GLU 54 Ca 0.27 1.47 0.00 0.00 0.00 0.00 0.00 54.97 56.71 3i63 s GLU 54 Cb 0.05 -3.66 0.00 0.00 2.00 0.00 0.00 34.13 32.52 3i63 s GLU 54 CO 0.06 -0.61 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 3i63 n GLY 55 N 3.38 1.56 3.43 -1.50 0.00 0.48 -4.79 105.19 107.76 3i63 n GLY 55 Ca 0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i63 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i63 s GLU 56 N 0.00 0.62 -0.06 1.61 2.12 -1.26 -1.96 118.70 119.77 3i63 s GLU 56 Ca 0.00 0.76 -0.02 0.00 0.36 0.00 0.00 54.97 56.07 3i63 s GLU 56 Cb 0.00 0.28 0.04 0.00 0.26 0.00 0.00 34.13 34.71 3i63 s GLU 56 CO 0.00 -0.08 0.11 -1.17 -0.54 0.00 0.00 175.26 173.58 3i63 s LEU 57 N 0.38 0.37 -0.14 2.70 0.20 0.46 -4.79 118.68 117.85 3i63 s LEU 57 Ca -0.01 0.21 -0.05 0.00 0.69 0.00 0.00 54.13 54.97 3i63 s LEU 57 Cb -0.04 0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.81 3i63 s LEU 57 CO -0.01 -0.20 0.03 -0.63 -0.29 0.00 0.00 176.35 175.25 3i63 s ILE 58 N 1.79 4.52 -0.24 6.68 1.01 -1.26 -0.55 121.20 133.14 3i63 s ILE 58 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 3i63 s ILE 58 Cb -0.12 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.40 3i63 s ILE 58 CO -0.05 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.58 3i63 s LEU 59 N -0.15 3.14 0.18 2.97 1.43 0.92 -4.66 118.68 122.51 3i63 s LEU 59 Ca 0.06 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 3i63 s LEU 59 Cb -0.12 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 3i63 s LEU 59 CO 0.02 -0.13 0.54 0.42 0.23 0.00 0.00 176.35 177.43 3i63 s THR 60 N 1.27 4.91 0.13 5.49 -4.23 -1.26 -0.81 115.64 121.13 3i63 s THR 60 Ca -0.01 0.64 -0.20 0.00 -1.18 0.00 0.00 61.69 60.93 3i63 s THR 60 Cb -0.17 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 3i63 s THR 60 CO -0.06 0.09 1.70 -0.09 -0.54 0.00 0.00 174.62 175.73 3i63 h ARG 61 N 3.07 -0.03 -0.17 3.99 2.43 -0.98 -0.62 114.38 122.07 3i63 h ARG 61 Ca -0.48 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.74 3i63 h ARG 61 Cb 1.18 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 3i63 h ARG 61 CO 0.67 -0.02 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.71 3i63 h LYS 62 N -0.03 -0.20 -0.54 0.20 3.64 -1.93 0.13 116.57 117.83 3i63 h LYS 62 Ca 0.09 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3i63 h LYS 62 Cb 0.17 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3i63 h LYS 62 CO -0.20 -0.13 -0.00 1.15 -2.27 0.00 0.00 179.45 177.99 3i63 h THR 63 N -0.21 1.26 -0.40 1.00 2.02 -1.90 -2.38 112.91 112.30 3i63 h THR 63 Ca 0.11 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.11 3i63 h THR 63 Cb 0.38 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3i63 h THR 63 CO -0.30 0.39 -0.14 0.25 0.37 0.00 0.00 175.52 176.09 3i63 h LEU 64 N 0.86 0.72 -0.46 2.58 5.85 -0.54 -0.69 115.31 123.62 3i63 h LEU 64 Ca 0.16 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3i63 h LEU 64 Cb 0.51 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3i63 h LEU 64 CO 0.03 0.88 0.24 -0.08 -0.34 0.00 0.00 178.44 179.16 3i63 h GLU 65 N 0.65 0.65 -0.94 1.25 4.81 -0.68 0.44 114.58 120.76 3i63 h GLU 65 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3i63 h GLU 65 Cb 0.61 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3i63 h GLU 65 CO 0.04 0.53 0.56 1.49 -0.73 0.00 0.00 179.01 180.90 3i63 h GLU 66 N 0.61 1.29 0.02 1.92 4.57 -0.86 -0.14 114.58 121.98 3i63 h GLU 66 Ca 0.16 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 58.00 3i63 h GLU 66 Cb 0.07 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3i63 h GLU 66 CO -0.02 0.91 -0.95 1.96 -1.18 0.00 0.00 179.01 179.72 3i63 h GLN 67 N 1.31 0.30 -0.40 1.92 1.08 -0.96 -3.22 115.11 115.15 3i63 h GLN 67 Ca 0.34 -0.35 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 3i63 h GLN 67 Cb -0.04 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3i63 h GLN 67 CO -0.06 1.06 -0.27 1.25 -0.95 0.00 0.00 178.83 179.85 3i63 h LEU 68 N 0.16 0.87 0.00 1.46 5.85 -0.87 -3.43 115.31 119.35 3i63 h LEU 68 Ca -0.07 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3i63 h LEU 68 Cb 1.60 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3i63 h LEU 68 CO 0.16 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 3i63 n GLY 69 N -0.10 0.84 3.35 3.75 0.00 -0.07 -5.05 105.19 107.90 3i63 n GLY 69 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3i63 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i63 s ARG 70 N -0.68 1.05 0.22 1.61 1.70 -1.23 -5.06 118.95 116.56 3i63 s ARG 70 Ca 0.00 -0.45 -0.31 0.00 -0.47 0.00 0.00 55.73 54.50 3i63 s ARG 70 Cb 0.00 0.47 -0.15 0.00 -0.57 0.00 0.00 34.95 34.70 3i63 s ARG 70 CO 0.00 -0.40 1.13 -2.30 -1.08 0.00 0.00 175.30 172.66 3i63 n PRO 71 N 0.12 1.30 -3.75 3.89 -0.02 -1.26 -4.75 135.00 130.53 3i63 n PRO 71 Ca -0.17 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3i63 n PRO 71 Cb 0.62 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 3i63 n PRO 71 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i63 s PHE 72 N -0.46 -0.22 -0.10 6.00 5.36 -1.26 -5.06 117.98 122.24 3i63 s PHE 72 Ca 0.68 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.19 3i63 s PHE 72 Cb -0.78 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 41.84 3i63 s PHE 72 CO 0.54 -0.18 0.05 -0.80 -1.46 0.00 0.00 175.22 173.37 3i63 s ASN 73 N 1.07 5.59 0.35 6.13 0.01 -1.26 -4.87 114.94 121.96 3i63 s ASN 73 Ca -0.08 0.24 0.05 0.00 -0.71 0.00 0.00 52.86 52.36 3i63 s ASN 73 Cb -0.10 -1.67 0.70 0.00 0.41 0.00 0.00 41.25 40.59 3i63 s ASN 73 CO -0.06 0.38 1.96 -0.03 -1.51 0.00 0.00 177.10 177.84 3i63 h MET 74 N 5.14 0.78 0.00 -0.60 4.05 -1.88 -1.43 114.93 120.99 3i63 h MET 74 Ca -0.52 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.83 3i63 h MET 74 Cb 1.20 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.82 3i63 h MET 74 CO 0.56 0.52 -0.14 0.37 0.23 0.00 0.00 176.91 178.45 3i63 h GLN 75 N 0.81 0.00 0.00 0.39 5.75 -1.91 -2.13 115.11 118.01 3i63 h GLN 75 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3i63 h GLN 75 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 3i63 h GLN 75 CO -0.10 0.14 0.00 0.93 -2.65 0.00 0.00 178.83 177.14 3i63 h GLU 76 N 0.00 0.00 -0.55 1.69 5.08 -1.68 -2.71 114.58 116.40 3i63 h GLU 76 Ca -0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 3i63 h GLU 76 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3i63 h GLU 76 CO 0.02 0.00 0.44 1.25 -1.00 0.00 0.00 179.01 179.72 3i63 h LEU 77 N 0.00 0.00 -0.12 1.33 5.85 -1.51 -1.39 115.31 119.47 3i63 h LEU 77 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i63 h LEU 77 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3i63 h LEU 77 CO 0.00 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.26 3i63 n GLU 78 N -4.17 0.03 0.27 1.25 0.28 -1.02 -0.78 120.64 116.50 3i63 n GLU 78 Ca 0.10 0.33 0.13 0.00 -0.16 0.00 0.00 57.16 57.56 3i63 n GLU 78 Cb 0.66 -1.56 0.76 0.00 1.43 0.00 0.00 31.44 32.74 3i63 n GLU 78 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3i63 h ILE 79 N 0.00 0.61 0.00 3.84 2.04 -1.49 -3.34 117.51 119.17 3i63 h ILE 79 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3i63 h ILE 79 Cb 0.21 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3i63 h ILE 79 CO 0.00 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.83 3i63 n ASN 80 N -3.77 0.24 -4.56 1.72 3.02 0.04 -4.94 115.26 107.02 3i63 n ASN 80 Ca -0.02 -0.58 -0.40 0.00 -0.03 0.00 0.00 54.58 53.55 3i63 n ASN 80 Cb 0.19 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 3i63 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i63 s LEU 81 N -1.03 3.34 0.14 3.41 2.96 0.04 -1.14 118.68 126.40 3i63 s LEU 81 Ca 0.00 -0.94 0.16 0.00 -0.22 0.00 0.00 54.13 53.13 3i63 s LEU 81 Cb 0.00 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 3i63 s LEU 81 CO 0.00 -1.72 1.05 0.00 -1.32 0.00 0.00 176.35 174.35 3i63 h ALA 82 N 10.12 0.65 -2.43 5.97 0.00 -1.35 -3.47 119.26 128.76 3i63 h ALA 82 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3i63 h ALA 82 Cb 1.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i63 h ALA 82 CO 1.35 0.80 0.17 0.45 0.00 0.00 0.00 179.25 182.03 3i63 n SER 83 N -3.01 -1.13 -3.56 0.00 2.88 -1.07 -5.01 113.62 102.73 3i63 n SER 83 Ca -0.05 -1.75 -0.11 0.00 -1.33 0.00 0.00 58.87 55.62 3i63 n SER 83 Cb 0.80 1.87 -0.05 0.00 -0.75 0.00 0.00 64.21 66.09 3i63 n SER 83 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i63 s PHE 84 N -5.19 -0.41 -0.09 0.66 -0.12 -1.26 -0.80 117.98 110.76 3i63 s PHE 84 Ca 0.09 0.64 -0.03 0.00 -0.05 0.00 0.00 56.93 57.58 3i63 s PHE 84 Cb -0.02 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 3i63 s PHE 84 CO 0.05 -0.41 0.04 0.00 -0.05 0.00 0.00 175.22 174.85 3i63 s ALA 85 N -1.42 3.45 0.00 1.99 0.00 -0.59 -4.95 121.76 120.24 3i63 s ALA 85 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3i63 s ALA 85 Cb -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3i63 s ALA 85 CO 0.01 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3i63 n GLY 86 N 2.09 1.91 3.81 0.00 0.00 -1.26 -0.44 105.19 111.30 3i63 n GLY 86 Ca -0.19 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 3i63 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i63 s GLN 87 N -2.50 2.72 -0.04 1.61 -0.21 0.75 -4.75 119.66 117.24 3i63 s GLN 87 Ca 0.00 0.97 0.05 0.00 0.02 0.00 0.00 55.36 56.40 3i63 s GLN 87 Cb 0.00 -1.96 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 3i63 s GLN 87 CO 0.00 -1.26 -0.19 -1.50 -2.12 0.00 0.00 175.29 170.22 3i63 s ILE 88 N -3.02 1.53 -0.17 1.08 2.07 -1.26 -1.45 121.20 119.98 3i63 s ILE 88 Ca 0.59 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 3i63 s ILE 88 Cb -0.15 -1.30 0.03 0.00 0.13 0.00 0.00 42.46 41.17 3i63 s ILE 88 CO 0.55 0.44 -0.12 -1.58 -1.91 0.00 0.00 174.94 172.32 3i63 s GLN 89 N -0.11 2.09 -0.03 3.50 0.74 0.09 -4.99 119.66 120.94 3i63 s GLN 89 Ca -0.01 -0.66 0.05 0.00 0.05 0.00 0.00 55.36 54.80 3i63 s GLN 89 Cb -0.11 -2.20 -0.01 0.00 1.10 0.00 0.00 33.01 31.79 3i63 s GLN 89 CO 0.02 -0.33 -0.19 0.00 -0.55 0.00 0.00 175.29 174.24 3i63 s ALA 90 N 1.47 1.63 0.00 1.58 0.00 -1.26 -0.35 121.76 124.84 3i63 s ALA 90 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3i63 s ALA 90 Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3i63 s ALA 90 CO -0.09 0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.61 3i63 n ASP 91 N 2.91 0.00 0.24 0.00 5.75 -0.15 -5.01 116.55 120.29 3i63 n ASP 91 Ca -0.17 -0.32 0.12 0.00 -0.01 0.00 0.00 54.79 54.41 3i63 n ASP 91 Cb 0.53 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.10 3i63 n ASP 91 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3i63 h GLU 92 N 0.00 0.00 0.00 0.11 4.11 -2.00 -3.23 114.58 113.57 3i63 h GLU 92 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 3i63 h GLU 92 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3i63 h GLU 92 CO 0.00 0.14 -2.15 -0.25 0.07 0.00 0.00 179.01 176.83 3i63 n ASP 93 N -3.26 0.03 -3.62 3.06 8.00 -1.26 -4.40 116.55 115.10 3i63 n ASP 93 Ca 0.01 0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.47 3i63 n ASP 93 Cb 0.41 1.50 -0.02 0.00 -0.02 0.00 0.00 41.12 43.00 3i63 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i63 s GLN 94 N -3.05 0.89 -0.03 -1.24 -2.07 -1.22 -0.32 119.66 112.62 3i63 s GLN 94 Ca -0.09 -0.42 0.07 0.00 -1.82 0.00 0.00 55.36 53.10 3i63 s GLN 94 Cb 0.10 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 3i63 s GLN 94 CO 0.87 -0.40 -0.23 -1.50 -1.32 0.00 0.00 175.29 172.71 3i63 s ILE 95 N -3.07 2.33 -0.16 3.63 2.07 0.01 -0.97 121.20 125.04 3i63 s ILE 95 Ca 0.09 -1.00 0.01 0.00 -1.41 0.00 0.00 60.65 58.34 3i63 s ILE 95 Cb -0.01 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.75 3i63 s ILE 95 CO -0.04 0.58 -0.18 -0.60 -1.91 0.00 0.00 174.94 172.80 3i63 s ARG 96 N -0.58 3.13 -0.17 3.50 3.52 0.53 -0.06 118.95 128.82 3i63 s ARG 96 Ca 0.09 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.82 3i63 s ARG 96 Cb -0.11 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3i63 s ARG 96 CO -0.00 -0.03 0.08 -0.06 -0.81 0.00 0.00 175.30 174.48 3i63 s PHE 97 N 0.90 3.32 0.14 5.12 0.40 0.28 -0.73 117.98 127.42 3i63 s PHE 97 Ca -0.04 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.27 3i63 s PHE 97 Cb -0.15 -2.06 0.06 0.00 0.51 0.00 0.00 43.02 41.38 3i63 s PHE 97 CO -0.02 0.28 0.56 1.52 0.70 0.00 0.00 175.22 178.26 3i63 s TYR 98 N 0.09 -0.47 -0.02 0.36 -0.85 -0.53 -0.40 117.35 115.53 3i63 s TYR 98 Ca 0.06 0.26 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 3i63 s TYR 98 Cb -0.12 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 3i63 s TYR 98 CO 0.00 -0.81 -0.14 -0.06 -1.52 0.00 0.00 175.55 173.03 3i63 s PHE 99 N -3.66 2.70 0.18 -3.49 0.08 -0.83 -0.18 117.98 112.78 3i63 s PHE 99 Ca 0.01 -0.16 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 3i63 s PHE 99 Cb -0.00 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 3i63 s PHE 99 CO -0.12 0.24 1.44 -0.44 -0.10 0.00 0.00 175.22 176.24 3i63 h ASP 100 N 4.99 0.54 -2.19 1.36 3.32 -2.00 -3.46 116.42 118.98 3i63 h ASP 100 Ca -0.47 -0.34 -0.48 0.00 0.02 0.00 0.00 57.03 55.77 3i63 h ASP 100 Cb 1.16 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3i63 h ASP 100 CO 0.50 1.07 -0.46 -0.54 -1.72 0.00 0.00 179.24 178.09 3i63 s LYS 101 N -3.72 3.26 -0.23 3.56 1.02 -1.26 -5.10 119.74 117.27 3i63 s LYS 101 Ca -0.06 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.03 3i63 s LYS 101 Cb 0.11 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3i63 s LYS 101 CO 0.84 0.42 -0.05 0.99 -0.92 0.00 0.00 175.35 176.63 3i63 s THR 102 N -2.04 3.16 -2.76 2.17 2.01 -1.26 -5.05 115.64 111.87 3i63 s THR 102 Ca 0.34 -0.73 0.22 0.00 0.31 0.00 0.00 61.69 61.83 3i63 s THR 102 Cb -0.09 -2.50 0.18 0.00 0.01 0.00 0.00 72.50 70.09 3i63 s THR 102 CO 0.28 0.32 1.20 0.23 -0.69 0.00 0.00 174.62 175.96