#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4i s ASN 2 N 0.00 5.57 0.40 6.12 2.20 -1.26 -4.91 114.94 123.07 3c4i s ASN 2 Ca 0.00 0.33 0.09 0.00 -0.94 0.00 0.00 52.86 52.34 3c4i s ASN 2 Cb 0.00 -1.39 0.88 0.00 -2.00 0.00 0.00 41.25 38.74 3c4i s ASN 2 CO 0.00 -0.95 1.98 0.50 -2.94 0.00 0.00 177.10 175.69 3c4i h LYS 3 N 0.12 0.56 -0.54 3.55 3.64 -2.05 -0.62 116.57 121.22 3c4i h LYS 3 Ca -0.45 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3c4i h LYS 3 Cb 1.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3c4i h LYS 3 CO 0.57 0.37 0.07 0.00 -2.27 0.00 0.00 179.45 178.19 3c4i h ALA 4 N 1.67 0.72 -0.45 5.00 0.00 -1.99 -1.38 119.26 122.83 3c4i h ALA 4 Ca 0.27 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3c4i h ALA 4 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3c4i h ALA 4 CO -0.08 0.48 -0.16 1.49 0.00 0.00 0.00 179.25 180.97 3c4i h GLU 5 N 0.79 0.85 -0.84 0.00 4.81 -1.65 0.10 114.58 118.64 3c4i h GLU 5 Ca 0.16 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3c4i h GLU 5 Cb 0.43 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 3c4i h GLU 5 CO 0.01 0.95 0.52 1.25 -0.73 0.00 0.00 179.01 181.01 3c4i h LEU 6 N 0.75 0.82 -0.46 1.64 5.85 -0.98 -0.41 115.31 122.52 3c4i h LEU 6 Ca 0.11 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 3c4i h LEU 6 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3c4i h LEU 6 CO 0.05 0.53 -0.40 0.40 -0.34 0.00 0.00 178.44 178.67 3c4i h ILE 7 N 0.95 1.28 -0.41 4.05 2.04 -0.46 -1.10 117.51 123.86 3c4i h ILE 7 Ca 0.36 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3c4i h ILE 7 Cb 0.15 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3c4i h ILE 7 CO -0.17 0.52 0.24 0.44 0.00 0.00 0.00 178.15 179.18 3c4i h ASP 8 N 0.68 0.50 -0.35 1.72 3.32 -0.33 -0.90 116.42 121.06 3c4i h ASP 8 Ca 0.05 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3c4i h ASP 8 Cb 0.98 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3c4i h ASP 8 CO 0.09 0.42 0.19 0.58 -1.72 0.00 0.00 179.24 178.80 3c4i h VAL 9 N 0.54 1.14 -0.73 -1.35 2.07 -0.99 -2.93 116.25 114.01 3c4i h VAL 9 Ca 0.15 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3c4i h VAL 9 Cb 0.02 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3c4i h VAL 9 CO -0.03 0.14 0.35 0.25 0.02 0.00 0.00 177.57 178.31 3c4i h LEU 10 N 0.44 0.93 -0.32 2.57 6.46 -1.01 -2.37 115.31 122.02 3c4i h LEU 10 Ca 0.12 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3c4i h LEU 10 Cb 0.06 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3c4i h LEU 10 CO -0.02 0.79 0.11 0.74 -0.62 0.00 0.00 178.44 179.44 3c4i h THR 11 N 1.03 0.91 -0.22 1.05 2.02 -0.99 0.12 112.91 116.83 3c4i h THR 11 Ca 0.25 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.24 3c4i h THR 11 Cb 0.10 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3c4i h THR 11 CO -0.03 0.04 -0.34 1.56 0.37 0.00 0.00 175.52 177.12 3c4i h GLN 12 N 0.24 0.46 -0.24 6.66 1.08 -1.33 0.54 115.11 122.53 3c4i h GLN 12 Ca 0.14 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 3c4i h GLN 12 Cb 0.12 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3c4i h GLN 12 CO -0.15 0.75 -0.21 0.87 -0.95 0.00 0.00 178.83 179.14 3c4i h LYS 13 N 0.39 0.56 0.00 1.46 1.57 -1.01 -3.20 116.57 116.35 3c4i h LYS 13 Ca 0.05 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3c4i h LYS 13 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3c4i h LYS 13 CO 0.06 0.87 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.61 3c4i h LEU 14 N 0.27 0.00 -0.83 2.94 3.38 -0.65 -3.47 115.31 116.95 3c4i h LEU 14 Ca 0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 3c4i h LEU 14 Cb 0.75 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.62 3c4i h LEU 14 CO 0.05 0.13 -0.59 0.61 0.09 0.00 0.00 178.44 178.73 3c4i n GLY 15 N 0.95 -0.36 3.96 0.83 0.00 0.16 -5.01 105.19 105.72 3c4i n GLY 15 Ca 0.03 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3c4i n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c4i s SER 16 N -3.27 4.86 0.66 1.61 1.04 -1.09 -5.07 113.70 112.45 3c4i s SER 16 Ca 0.51 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 3c4i s SER 16 Cb -0.23 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.27 3c4i s SER 16 CO 0.63 -1.20 0.96 1.51 0.98 0.00 0.00 173.24 176.12 3c4i s ASP 17 N -4.45 5.00 0.26 7.02 3.84 -1.26 -4.84 116.67 122.24 3c4i s ASP 17 Ca 0.47 0.42 0.04 0.00 -0.00 0.00 0.00 52.55 53.48 3c4i s ASP 17 Cb -0.04 -1.15 0.35 0.00 -1.38 0.00 0.00 42.92 40.70 3c4i s ASP 17 CO 0.29 -1.45 1.64 -0.09 -0.00 0.00 0.00 175.17 175.57 3c4i h ARG 18 N -0.43 0.31 -0.81 2.11 2.43 -1.95 -2.67 114.38 113.37 3c4i h ARG 18 Ca -0.44 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 58.64 3c4i h ARG 18 Cb 1.30 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 3c4i h ARG 18 CO 0.59 0.71 0.48 -0.09 -1.51 0.00 0.00 179.97 180.15 3c4i h ARG 19 N 0.25 0.82 -0.27 0.20 9.65 -1.99 -0.63 114.38 122.41 3c4i h ARG 19 Ca 0.02 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3c4i h ARG 19 Cb 0.91 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 3c4i h ARG 19 CO 0.07 0.54 -0.11 1.96 2.80 0.00 0.00 179.97 185.24 3c4i h GLN 20 N 0.85 0.55 -0.57 0.20 4.20 -1.87 -0.87 115.11 117.59 3c4i h GLN 20 Ca 0.37 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3c4i h GLN 20 Cb 0.26 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3c4i h GLN 20 CO -0.21 0.79 0.17 0.00 -0.67 0.00 0.00 178.83 178.91 3c4i h ALA 21 N 0.75 1.22 -0.43 3.87 0.00 -1.24 -0.76 119.26 122.68 3c4i h ALA 21 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3c4i h ALA 21 Cb 0.61 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3c4i h ALA 21 CO 0.04 0.55 0.05 1.15 0.00 0.00 0.00 179.25 181.03 3c4i h THR 22 N 0.84 1.25 -0.89 0.00 2.02 -0.95 -1.59 112.91 113.59 3c4i h THR 22 Ca 0.19 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3c4i h THR 22 Cb 0.26 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3c4i h THR 22 CO -0.01 0.32 0.48 0.00 0.37 0.00 0.00 175.52 176.69 3c4i h ALA 23 N 0.92 1.14 -0.07 6.16 0.00 -0.76 -1.56 119.26 125.10 3c4i h ALA 23 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3c4i h ALA 23 Cb 0.41 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3c4i h ALA 23 CO 0.01 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.92 3c4i h ALA 24 N 1.26 0.09 0.27 0.00 0.00 -0.89 -1.61 119.26 118.39 3c4i h ALA 24 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3c4i h ALA 24 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3c4i h ALA 24 CO -0.05 -0.26 -0.15 0.28 0.00 0.00 0.00 179.25 179.07 3c4i h VAL 25 N -0.12 0.70 0.00 0.00 2.07 -1.19 0.16 116.25 117.87 3c4i h VAL 25 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3c4i h VAL 25 Cb 0.28 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3c4i h VAL 25 CO 0.00 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 177.02 3c4i h GLU 26 N -0.39 0.00 0.00 1.57 5.08 -1.29 -1.51 114.58 118.04 3c4i h GLU 26 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3c4i h GLU 26 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3c4i h GLU 26 CO 0.05 0.24 -1.50 0.09 -1.00 0.00 0.00 179.01 176.88 3c4i n ASN 27 N -4.10 0.57 0.26 1.42 3.02 -0.61 -1.51 115.26 114.31 3c4i n ASN 27 Ca -0.02 0.23 -0.16 0.00 -0.03 0.00 0.00 54.58 54.61 3c4i n ASN 27 Cb 0.30 0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 40.19 3c4i n ASN 27 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3c4i h VAL 28 N 0.00 0.52 -0.74 2.41 2.07 -0.50 -2.11 116.25 117.92 3c4i h VAL 28 Ca -0.10 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.36 3c4i h VAL 28 Cb 1.29 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 3c4i h VAL 28 CO 0.02 0.03 0.31 0.58 0.02 0.00 0.00 177.57 178.53 3c4i h VAL 29 N -0.75 0.70 -0.12 2.57 2.07 -1.33 -2.05 116.25 117.34 3c4i h VAL 29 Ca -0.06 -0.16 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 3c4i h VAL 29 Cb 0.54 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3c4i h VAL 29 CO 0.11 0.09 -0.72 -0.78 0.02 0.00 0.00 177.57 176.28 3c4i h ASP 30 N 0.47 0.64 -0.15 0.57 3.58 -1.27 -0.81 116.42 119.44 3c4i h ASP 30 Ca 0.40 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3c4i h ASP 30 Cb 0.56 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3c4i h ASP 30 CO -0.37 1.16 0.07 0.74 -2.88 0.00 0.00 179.24 177.96 3c4i h THR 31 N 0.38 1.13 0.12 2.25 2.02 -1.11 -0.40 112.91 117.29 3c4i h THR 31 Ca -0.03 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3c4i h THR 31 Cb 1.31 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3c4i h THR 31 CO 0.13 0.12 -0.20 0.40 0.37 0.00 0.00 175.52 176.34 3c4i h ILE 32 N 0.12 0.55 -0.52 3.11 2.04 -1.24 -1.15 117.51 120.42 3c4i h ILE 32 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3c4i h ILE 32 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3c4i h ILE 32 CO -0.01 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.05 3c4i h VAL 33 N -0.39 1.08 -0.12 1.67 2.07 -1.06 -1.23 116.25 118.28 3c4i h VAL 33 Ca 0.02 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3c4i h VAL 33 Cb 0.40 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3c4i h VAL 33 CO -0.10 0.12 -0.34 0.03 0.02 0.00 0.00 177.57 177.30 3c4i h ARG 34 N 0.65 0.24 0.14 1.57 3.08 -0.92 -1.25 114.38 117.89 3c4i h ARG 34 Ca 0.20 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3c4i h ARG 34 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3c4i h ARG 34 CO -0.07 0.56 -0.07 0.00 -1.07 0.00 0.00 179.97 179.32 3c4i h ALA 35 N 1.44 -0.18 -0.49 0.04 0.00 -0.59 -2.56 119.26 116.91 3c4i h ALA 35 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3c4i h ALA 35 Cb 0.71 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3c4i h ALA 35 CO 0.05 -0.49 0.31 0.28 0.00 0.00 0.00 179.25 179.40 3c4i h VAL 36 N -0.41 1.08 -0.88 0.00 2.07 -1.17 -0.64 116.25 116.30 3c4i h VAL 36 Ca -0.02 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3c4i h VAL 36 Cb 0.33 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3c4i h VAL 36 CO 0.03 0.11 0.53 -0.74 0.02 0.00 0.00 177.57 177.52 3c4i h HIS 37 N 0.62 0.97 0.00 1.57 6.17 -1.19 0.37 115.15 123.66 3c4i h HIS 37 Ca 0.19 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3c4i h HIS 37 Cb -0.02 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 29.60 3c4i h HIS 37 CO -0.06 0.43 0.00 0.87 0.71 0.00 0.00 177.93 179.89 3c4i h LYS 38 N 0.91 0.00 0.00 5.26 1.57 -1.10 -3.46 116.57 119.74 3c4i h LYS 38 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3c4i h LYS 38 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3c4i h LYS 38 CO -0.22 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.07 3c4i n GLY 39 N -0.70 0.90 3.92 3.86 0.00 0.13 -5.09 105.19 108.20 3c4i n GLY 39 Ca -0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3c4i n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3c4i s ASP 40 N -2.12 6.40 0.22 1.61 1.01 -0.28 -4.84 116.67 118.69 3c4i s ASP 40 Ca 0.00 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 53.80 3c4i s ASP 40 Cb 0.00 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 3c4i s ASP 40 CO 0.00 -0.15 0.45 -0.94 0.21 0.00 0.00 175.17 174.74 3c4i s SER 41 N -3.27 6.43 -0.24 0.27 1.04 -1.26 -3.50 113.70 113.16 3c4i s SER 41 Ca 0.41 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.42 3c4i s SER 41 Cb -0.11 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 63.99 3c4i s SER 41 CO 0.30 -0.08 -0.11 -0.69 0.98 0.00 0.00 173.24 173.64 3c4i s VAL 42 N -1.91 1.98 -0.43 5.02 1.01 0.91 -4.95 120.40 122.03 3c4i s VAL 42 Ca 0.41 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 3c4i s VAL 42 Cb -0.11 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3c4i s VAL 42 CO 0.28 0.03 0.49 -0.89 0.00 0.00 0.00 175.10 175.02 3c4i s THR 43 N 1.20 5.02 -0.62 3.92 2.01 -1.26 -0.85 115.64 125.06 3c4i s THR 43 Ca -0.06 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 3c4i s THR 43 Cb -0.19 -4.10 0.15 0.00 0.01 0.00 0.00 72.50 68.38 3c4i s THR 43 CO -0.06 -0.49 0.58 -0.63 -0.69 0.00 0.00 174.62 173.32 3c4i s ILE 44 N 2.31 5.32 0.02 1.82 1.01 -0.45 -5.00 121.20 126.22 3c4i s ILE 44 Ca 0.14 -1.76 -0.34 0.00 0.00 0.00 0.00 60.65 58.69 3c4i s ILE 44 Cb -0.17 -4.38 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 3c4i s ILE 44 CO 0.15 -0.92 1.77 0.41 0.00 0.00 0.00 174.94 176.34 3c4i n THR 45 N 4.90 0.36 0.00 2.92 -1.04 -1.26 -0.84 114.28 119.32 3c4i n THR 45 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3c4i n THR 45 Cb 0.42 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3c4i n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3c4i n GLY 46 N 4.02 2.95 0.06 3.41 0.00 -1.26 -4.82 105.19 109.54 3c4i n GLY 46 Ca 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 3c4i n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3c4i h PHE 47 N 0.00 0.00 0.00 1.61 3.57 -1.32 -2.51 116.94 118.29 3c4i h PHE 47 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3c4i h PHE 47 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3c4i h PHE 47 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 3c4i n GLY 48 N 1.68 -1.80 3.12 2.40 0.00 -0.73 -0.66 105.19 109.20 3c4i n GLY 48 Ca -0.05 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 3c4i n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c4i s VAL 49 N -2.62 1.66 -0.15 1.61 1.01 -0.18 -1.34 120.40 120.40 3c4i s VAL 49 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3c4i s VAL 49 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3c4i s VAL 49 CO 0.00 0.47 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 3c4i s PHE 50 N 0.62 3.39 0.25 5.22 0.40 -0.03 -0.22 117.98 127.60 3c4i s PHE 50 Ca -0.14 0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.37 3c4i s PHE 50 Cb -0.16 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 3c4i s PHE 50 CO 0.04 0.43 0.47 -1.83 0.70 0.00 0.00 175.22 175.03 3c4i s GLU 51 N -0.31 1.56 -0.13 0.44 -1.05 -0.17 -0.06 118.70 118.97 3c4i s GLU 51 Ca 0.10 -1.29 -0.06 0.00 -0.15 0.00 0.00 54.97 53.56 3c4i s GLU 51 Cb -0.12 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 3c4i s GLU 51 CO 0.01 -0.64 0.10 -1.14 0.95 0.00 0.00 175.26 174.53 3c4i s GLN 52 N -3.96 3.52 0.12 -4.83 0.74 -1.26 -0.98 119.66 113.00 3c4i s GLN 52 Ca 0.23 -0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.48 3c4i s GLN 52 Cb -0.00 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 3c4i s GLN 52 CO 0.10 0.62 -0.18 1.03 -0.55 0.00 0.00 175.29 176.31 3c4i s ARG 53 N -0.60 1.11 -0.43 1.67 0.52 0.28 -4.94 118.95 116.55 3c4i s ARG 53 Ca 0.12 -1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 54.03 3c4i s ARG 53 Cb -0.12 -1.22 0.10 0.00 0.52 0.00 0.00 34.95 34.24 3c4i s ARG 53 CO 0.02 0.26 0.27 0.50 0.02 0.00 0.00 175.30 176.38 3c4i s ARG 54 N -2.28 2.40 0.01 3.54 6.06 -1.26 0.09 118.95 127.51 3c4i s ARG 54 Ca 0.08 -1.67 -0.30 0.00 -2.50 0.00 0.00 55.73 51.34 3c4i s ARG 54 Cb -0.08 -3.78 -0.06 0.00 0.06 0.00 0.00 34.95 31.10 3c4i s ARG 54 CO 0.04 -1.07 1.44 1.03 -2.50 0.00 0.00 175.30 174.24 3c4i s ARG 55 N 1.33 4.27 0.99 5.12 0.52 0.01 -4.91 118.95 126.27 3c4i s ARG 55 Ca 0.05 2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 57.15 3c4i s ARG 55 Cb -0.24 -3.58 0.18 0.00 0.52 0.00 0.00 34.95 31.83 3c4i s ARG 55 CO -0.01 -0.60 1.11 0.00 0.02 0.00 0.00 175.30 175.82 3c4i s ALA 56 N 2.45 1.12 0.24 2.13 0.00 -1.26 -1.93 121.76 124.51 3c4i s ALA 56 Ca 0.65 -0.44 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 3c4i s ALA 56 Cb -0.32 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3c4i s ALA 56 CO 0.27 -2.75 1.65 0.00 0.00 0.00 0.00 175.76 174.93 3c4i n ALA 57 N -4.10 2.54 -3.64 0.00 0.00 -1.26 -4.46 120.51 109.59 3c4i n ALA 57 Ca 0.06 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 3c4i n ALA 57 Cb 0.58 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 3c4i n ALA 57 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3c4i n ARG 58 N 3.06 0.53 -4.69 0.00 1.85 -0.95 -4.98 116.66 111.48 3c4i n ARG 58 Ca 0.13 -1.73 -0.32 0.00 -1.00 0.00 0.00 57.85 54.92 3c4i n ARG 58 Cb 0.35 1.77 -0.12 0.00 -1.05 0.00 0.00 32.46 33.41 3c4i n ARG 58 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3c4i s VAL 59 N -2.62 3.26 0.07 8.89 1.01 -1.26 -0.37 120.40 129.38 3c4i s VAL 59 Ca 0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3c4i s VAL 59 Cb -0.01 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 3c4i s VAL 59 CO 0.12 0.49 0.18 0.00 0.00 0.00 0.00 175.10 175.89 3c4i s ALA 60 N -0.85 -0.21 -0.24 5.51 0.00 -0.08 -4.91 121.76 120.97 3c4i s ALA 60 Ca 0.14 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 3c4i s ALA 60 Cb -0.11 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3c4i s ALA 60 CO 0.03 -0.46 0.21 1.03 0.00 0.00 0.00 175.76 176.57 3c4i s ARG 61 N -3.49 4.06 -0.25 0.00 0.52 -1.26 0.12 118.95 118.64 3c4i s ARG 61 Ca 0.02 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 3c4i s ARG 61 Cb 0.03 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3c4i s ARG 61 CO -0.09 -0.00 1.82 1.21 0.02 0.00 0.00 175.30 178.26 3c4i s ASN 62 N 1.18 6.00 0.14 0.23 3.84 0.23 -4.90 114.94 121.66 3c4i s ASN 62 Ca 0.09 1.59 -0.18 0.00 0.21 0.00 0.00 52.86 54.57 3c4i s ASN 62 Cb -0.14 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.02 3c4i s ASN 62 CO 0.06 -1.57 1.78 -0.65 -2.79 0.00 0.00 177.10 173.94 3c4i h PRO 63 N 12.43 0.35 0.00 0.43 0.11 -1.94 1.12 132.00 144.50 3c4i h PRO 63 Ca -0.36 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3c4i h PRO 63 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3c4i h PRO 63 CO 1.00 0.23 -0.13 0.07 -0.21 0.00 0.00 178.00 178.97 3c4i h ARG 64 N 0.36 0.00 0.00 1.05 0.11 -1.98 -3.14 114.38 110.78 3c4i h ARG 64 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3c4i h ARG 64 Cb -0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3c4i h ARG 64 CO -0.05 0.13 -1.19 0.25 0.10 0.00 0.00 179.97 179.20 3c4i n THR 65 N -4.37 0.00 -0.63 0.08 -2.24 -1.04 -5.01 114.28 101.07 3c4i n THR 65 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3c4i n THR 65 Cb 0.20 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3c4i n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c4i n GLY 66 N 1.68 1.09 3.77 3.38 0.00 0.38 -5.01 105.19 110.49 3c4i n GLY 66 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3c4i n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c4i s GLU 67 N -0.21 4.10 -0.02 1.61 2.02 -1.24 -4.66 118.70 120.31 3c4i s GLU 67 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.53 3c4i s GLU 67 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3c4i s GLU 67 CO 0.00 -0.28 1.20 0.99 0.02 0.00 0.00 175.26 177.19 3c4i s THR 68 N -1.40 4.20 0.07 3.63 2.01 -1.26 0.76 115.64 123.66 3c4i s THR 68 Ca 0.56 1.55 0.10 0.00 0.31 0.00 0.00 61.69 64.21 3c4i s THR 68 Cb -0.31 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3c4i s THR 68 CO 0.39 0.04 -0.27 0.68 -0.69 0.00 0.00 174.62 174.78 3c4i s VAL 69 N 1.81 2.17 -0.43 3.82 -7.23 0.31 -4.89 120.40 115.96 3c4i s VAL 69 Ca 0.57 -1.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.01 3c4i s VAL 69 Cb -0.26 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.82 3c4i s VAL 69 CO 0.25 0.28 0.73 -0.75 -0.31 0.00 0.00 175.10 175.30 3c4i s LYS 70 N -1.50 3.41 0.14 4.82 2.36 -1.26 -0.91 119.74 126.81 3c4i s LYS 70 Ca 0.12 -0.14 -0.06 0.00 -2.55 0.00 0.00 55.97 53.34 3c4i s LYS 70 Cb -0.10 -3.92 -0.06 0.00 -1.05 0.00 0.00 37.83 32.70 3c4i s LYS 70 CO 0.03 -1.04 0.40 0.14 1.55 0.00 0.00 175.35 176.43 3c4i s VAL 71 N 3.10 5.12 0.69 4.02 -7.23 0.50 -4.94 120.40 121.67 3c4i s VAL 71 Ca 0.27 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 3c4i s VAL 71 Cb -0.13 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.20 3c4i s VAL 71 CO 0.21 0.07 1.07 -0.54 -0.31 0.00 0.00 175.10 175.60 3c4i s LYS 72 N -2.53 2.83 0.51 4.82 1.02 -1.26 -2.25 119.74 122.88 3c4i s LYS 72 Ca 0.40 1.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.26 3c4i s LYS 72 Cb -0.12 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.14 3c4i s LYS 72 CO 0.23 -1.19 1.02 -2.30 -0.92 0.00 0.00 175.35 172.19 3c4i n PRO 73 N -2.96 1.21 -3.86 -1.68 -0.02 -1.26 -4.76 135.00 121.67 3c4i n PRO 73 Ca 0.08 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3c4i n PRO 73 Cb 0.53 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 3c4i n PRO 73 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3c4i s THR 74 N -1.39 -0.01 -0.03 3.45 2.01 -0.81 -4.97 115.64 113.89 3c4i s THR 74 Ca 0.69 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 3c4i s THR 74 Cb -0.48 -0.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3c4i s THR 74 CO 0.52 0.01 0.67 -0.44 -0.69 0.00 0.00 174.62 174.69 3c4i s SER 75 N 0.13 7.01 0.02 3.53 0.01 -1.26 -0.81 113.70 122.33 3c4i s SER 75 Ca -0.01 1.21 0.03 0.00 1.31 0.00 0.00 55.95 58.49 3c4i s SER 75 Cb -0.02 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 3c4i s SER 75 CO -0.00 -0.02 -0.09 0.68 0.41 0.00 0.00 173.24 174.22 3c4i s VAL 76 N 0.31 0.73 0.38 3.43 -7.23 0.11 -4.94 120.40 113.19 3c4i s VAL 76 Ca 0.35 -0.72 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 3c4i s VAL 76 Cb -0.18 -0.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 3c4i s VAL 76 CO 0.18 -0.03 0.86 -2.16 -0.31 0.00 0.00 175.10 173.64 3c4i s PRO 77 N -0.84 4.15 0.03 4.82 0.05 -1.26 -0.55 135.00 141.40 3c4i s PRO 77 Ca -0.01 0.94 -0.07 0.00 0.05 0.00 0.00 61.00 61.91 3c4i s PRO 77 Cb -0.06 -2.33 -0.00 0.00 0.05 0.00 0.00 34.50 32.16 3c4i s PRO 77 CO 0.00 0.07 0.14 0.00 0.05 0.00 0.00 177.00 177.27 3c4i s ALA 78 N -2.06 -0.23 -0.10 8.56 0.00 -0.16 -4.92 121.76 122.86 3c4i s ALA 78 Ca 0.58 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3c4i s ALA 78 Cb -0.10 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3c4i s ALA 78 CO 0.15 -0.31 -0.11 0.12 0.00 0.00 0.00 175.76 175.61 3c4i s PHE 79 N -2.35 1.66 -0.43 0.00 5.36 -1.26 -1.00 117.98 119.95 3c4i s PHE 79 Ca -0.07 -0.77 -0.16 0.00 -0.96 0.00 0.00 56.93 54.97 3c4i s PHE 79 Cb -0.02 -1.26 0.03 0.00 -0.34 0.00 0.00 43.02 41.42 3c4i s PHE 79 CO -0.03 -0.45 0.38 0.50 -1.46 0.00 0.00 175.22 174.15 3c4i s ARG 80 N 1.21 3.01 0.25 10.12 3.52 0.69 -4.93 118.95 132.83 3c4i s ARG 80 Ca -0.03 -1.01 -0.31 0.00 -0.13 0.00 0.00 55.73 54.25 3c4i s ARG 80 Cb -0.14 -4.01 -0.12 0.00 -1.56 0.00 0.00 34.95 29.11 3c4i s ARG 80 CO -0.03 -0.86 1.60 -2.30 -0.81 0.00 0.00 175.30 172.90 3c4i n PRO 81 N 5.35 2.57 -1.64 5.12 -0.02 -1.26 -1.01 135.00 144.11 3c4i n PRO 81 Ca -0.10 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 3c4i n PRO 81 Cb 0.46 -2.70 0.10 0.00 -0.02 0.00 0.00 33.50 31.35 3c4i n PRO 81 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3c4i s GLY 82 N 0.70 1.60 0.23 -1.23 0.00 0.16 -4.84 107.32 103.94 3c4i s GLY 82 Ca 0.69 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 3c4i s GLY 82 CO 0.43 0.06 1.80 0.00 0.00 0.00 0.00 173.10 175.38 3c4i h ALA 83 N -1.20 1.03 -0.34 3.20 0.00 -1.87 -2.22 119.26 117.85 3c4i h ALA 83 Ca -0.48 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3c4i h ALA 83 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3c4i h ALA 83 CO 0.62 0.03 -0.28 1.96 0.00 0.00 0.00 179.25 181.58 3c4i h GLN 84 N 0.69 0.70 0.03 0.00 7.50 -1.92 0.16 115.11 122.27 3c4i h GLN 84 Ca 0.35 -0.30 -0.00 0.00 0.50 0.00 0.00 58.65 59.20 3c4i h GLN 84 Cb 0.32 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.83 3c4i h GLN 84 CO -0.24 0.90 -0.02 0.35 -1.50 0.00 0.00 178.83 178.32 3c4i h PHE 85 N 0.60 -0.04 -0.74 2.96 3.04 -1.10 -2.16 116.94 119.49 3c4i h PHE 85 Ca 0.08 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 3c4i h PHE 85 Cb 0.78 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 3c4i h PHE 85 CO 0.04 0.04 0.28 0.87 -2.02 0.00 0.00 178.31 177.51 3c4i h LYS 86 N -0.11 1.12 -0.35 1.11 1.57 -1.28 -2.13 116.57 116.50 3c4i h LYS 86 Ca -0.00 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3c4i h LYS 86 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3c4i h LYS 86 CO 0.01 0.92 0.02 0.00 -0.57 0.00 0.00 179.45 179.83 3c4i h ALA 87 N 1.21 0.47 0.07 3.86 0.00 -0.90 -0.63 119.26 123.34 3c4i h ALA 87 Ca 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3c4i h ALA 87 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3c4i h ALA 87 CO -0.02 0.21 -0.03 0.28 0.00 0.00 0.00 179.25 179.69 3c4i h VAL 88 N 0.43 1.02 -0.73 0.00 2.07 -1.32 0.42 116.25 118.13 3c4i h VAL 88 Ca 0.10 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3c4i h VAL 88 Cb 0.42 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3c4i h VAL 88 CO 0.01 0.07 0.21 0.58 0.02 0.00 0.00 177.57 178.46 3c4i h VAL 89 N -0.21 1.26 0.00 2.57 2.07 -1.31 -2.66 116.25 117.97 3c4i h VAL 89 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3c4i h VAL 89 Cb 0.18 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3c4i h VAL 89 CO 0.01 0.37 0.00 -1.54 0.02 0.00 0.00 177.57 176.43 3c4i n SER 90 N -4.24 0.45 0.00 0.57 3.41 -0.25 -4.90 113.62 108.65 3c4i n SER 90 Ca 0.06 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3c4i n SER 90 Cb 0.24 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3c4i n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3c4i n GLY 91 N 0.28 0.73 0.10 5.00 0.00 -0.96 -4.94 105.19 105.39 3c4i n GLY 91 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3c4i n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c4i h ALA 92 N 0.00 0.74 -3.44 4.61 0.00 -1.18 -3.45 119.26 116.54 3c4i h ALA 92 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3c4i h ALA 92 Cb 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 3c4i h ALA 92 CO 0.00 0.00 -0.65 1.14 0.00 0.00 0.00 179.25 179.74 3c4i s GLN 93 N -3.18 0.06 0.40 0.00 -2.07 -0.81 -4.95 119.66 109.11 3c4i s GLN 93 Ca 0.06 0.22 -0.24 0.00 -1.82 0.00 0.00 55.36 53.58 3c4i s GLN 93 Cb 0.11 -0.11 -0.09 0.00 -1.09 0.00 0.00 33.01 31.84 3c4i s GLN 93 CO 0.69 -0.10 1.06 1.03 -1.32 0.00 0.00 175.29 176.65 3c4i s ARG 94 N 0.69 4.13 0.70 9.60 3.00 -1.26 -3.83 118.95 131.99 3c4i s ARG 94 Ca -0.05 1.54 -0.16 0.00 0.00 0.00 0.00 55.73 57.05 3c4i s ARG 94 Cb -0.07 -2.53 0.01 0.00 0.00 0.00 0.00 34.95 32.35 3c4i s ARG 94 CO -0.03 -0.18 1.10 1.28 0.00 0.00 0.00 175.30 177.48 3c4i n LEU 95 N -0.10 4.45 -4.57 2.53 4.77 -1.26 -4.90 117.00 117.92 3c4i n LEU 95 Ca 0.05 0.72 -0.51 0.00 -0.03 0.00 0.00 56.01 56.24 3c4i n LEU 95 Cb 0.49 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.07 3c4i n LEU 95 CO 0.45 -1.65 0.73 -2.65 -1.33 0.00 0.00 177.39 172.94 3c4i n PRO 96 N -2.01 0.99 -4.07 3.23 -0.02 -1.26 -4.99 135.00 126.87 3c4i n PRO 96 Ca 0.14 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 3c4i n PRO 96 Cb 0.49 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 3c4i n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3c4i s ALA 97 N 0.01 3.68 0.23 3.55 0.00 -1.26 -5.06 121.76 122.90 3c4i s ALA 97 Ca 0.78 -1.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.10 3c4i s ALA 97 Cb -0.93 -1.43 -0.12 0.00 0.00 0.00 0.00 23.12 20.64 3c4i s ALA 97 CO 0.51 0.30 1.70 -1.91 0.00 0.00 0.00 175.76 176.36 3c4i n GLU 98 N -1.08 2.76 0.00 0.00 2.13 -1.26 -5.30 120.64 117.89 3c4i n GLU 98 Ca -0.08 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3c4i n GLU 98 Cb 0.57 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.45 3c4i n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13