#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cei s LYS 4 N 0.00 3.01 0.19 3.23 3.01 -1.26 -5.06 119.74 122.87 1cei s LYS 4 Ca 0.00 -1.02 -0.01 0.00 -1.01 0.00 0.00 55.97 53.93 1cei s LYS 4 Cb 0.00 -2.63 0.12 0.00 -1.01 0.00 0.00 37.83 34.31 1cei s LYS 4 CO 0.00 0.35 1.49 -0.97 0.51 0.00 0.00 175.35 176.73 1cei h ASN 5 N 1.36 0.49 -5.45 2.83 -1.24 -2.03 -3.46 115.58 108.10 1cei h ASN 5 Ca -0.49 -0.29 -0.17 0.00 0.71 0.00 0.00 56.30 56.06 1cei h ASN 5 Cb 1.24 -0.14 -0.13 0.00 0.73 0.00 0.00 38.32 40.02 1cei h ASN 5 CO 0.60 1.00 -0.44 -0.94 -1.29 0.00 0.00 177.43 176.36 1cei s SER 6 N -6.94 0.07 0.47 1.15 1.04 -1.26 -4.87 113.70 103.37 1cei s SER 6 Ca -0.06 -1.20 0.13 0.00 0.48 0.00 0.00 55.95 55.31 1cei s SER 6 Cb 0.11 0.45 1.10 0.00 0.10 0.00 0.00 66.02 67.78 1cei s SER 6 CO 0.83 -0.93 2.09 -0.29 0.98 0.00 0.00 173.24 175.92 1cei h ILE 7 N 2.51 1.05 0.00 -1.02 6.09 -1.90 -1.51 117.51 122.74 1cei h ILE 7 Ca -0.32 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1cei h ILE 7 Cb 1.25 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1cei h ILE 7 CO 0.47 0.06 0.00 -1.20 -3.07 0.00 0.00 178.15 174.42 1cei n SER 8 N -4.48 0.36 0.06 2.19 7.64 -1.24 -1.51 113.62 116.64 1cei n SER 8 Ca -0.01 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.57 1cei n SER 8 Cb 0.11 -0.66 0.26 0.00 -1.01 0.00 0.00 64.21 62.91 1cei n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1cei n ASP 9 N -1.88 0.65 -4.85 6.43 8.00 -0.57 -3.22 116.55 121.11 1cei n ASP 9 Ca 0.04 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1cei n ASP 9 Cb 0.24 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1cei n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cei s TYR 10 N -3.12 3.61 0.78 1.24 1.51 -0.57 -4.86 117.35 115.93 1cei s TYR 10 Ca 0.08 0.63 -0.11 0.00 -1.01 0.00 0.00 57.07 56.66 1cei s TYR 10 Cb 0.14 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.99 1cei s TYR 10 CO 0.68 0.65 1.15 0.95 -1.11 0.00 0.00 175.55 177.87 1cei s THR 11 N -0.83 2.36 0.25 -0.71 -4.23 -1.26 -0.86 115.64 110.36 1cei s THR 11 Ca 0.17 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1cei s THR 11 Cb -0.13 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.85 1cei s THR 11 CO 0.06 -0.14 1.92 -0.33 -0.54 0.00 0.00 174.62 175.58 1cei h GLU 12 N -0.93 1.27 -0.26 3.99 5.08 -1.95 -0.52 114.58 121.26 1cei h GLU 12 Ca -0.46 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 57.68 1cei h GLU 12 Cb 1.31 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1cei h GLU 12 CO 0.65 0.84 -0.44 0.00 -1.00 0.00 0.00 179.01 179.06 1cei h ALA 13 N 1.38 0.75 -0.20 3.43 0.00 -1.95 -1.06 119.26 121.60 1cei h ALA 13 Ca 0.37 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1cei h ALA 13 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cei h ALA 13 CO -0.09 0.66 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 1cei h GLU 14 N 0.52 0.34 -0.25 0.00 5.08 -1.80 -1.87 114.58 116.60 1cei h GLU 14 Ca 0.04 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1cei h GLU 14 Cb 0.97 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1cei h GLU 14 CO 0.09 0.50 -0.52 0.35 -1.00 0.00 0.00 179.01 178.43 1cei h PHE 15 N 0.31 0.89 0.00 4.33 3.57 -0.49 -2.08 116.94 123.47 1cei h PHE 15 Ca 0.06 -0.31 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1cei h PHE 15 Cb 0.48 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1cei h PHE 15 CO 0.01 1.08 -0.14 -0.39 -2.23 0.00 0.00 178.31 176.65 1cei h VAL 16 N 0.56 0.34 -0.38 1.41 -1.51 -0.87 -1.13 116.25 114.67 1cei h VAL 16 Ca 0.02 -0.90 -0.14 0.00 -1.23 0.00 0.00 66.70 64.45 1cei h VAL 16 Cb 1.10 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 1cei h VAL 16 CO 0.11 0.13 -0.34 1.56 -1.23 0.00 0.00 177.57 177.80 1cei h GLN 17 N 0.00 0.86 -0.56 5.19 4.20 -1.11 0.17 115.11 123.86 1cei h GLN 17 Ca -0.00 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1cei h GLN 17 Cb 0.67 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1cei h GLN 17 CO 0.02 1.06 0.37 1.25 -0.67 0.00 0.00 178.83 180.86 1cei h LEU 18 N 0.71 0.65 -1.34 1.46 5.85 -0.80 -1.55 115.31 120.29 1cei h LEU 18 Ca 0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1cei h LEU 18 Cb 0.90 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1cei h LEU 18 CO 0.08 0.48 0.34 -0.07 -0.34 0.00 0.00 178.44 178.93 1cei h LEU 19 N 0.76 0.69 -0.87 2.25 4.07 -0.61 -1.21 115.31 120.40 1cei h LEU 19 Ca 0.21 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 1cei h LEU 19 Cb -0.07 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 1cei h LEU 19 CO -0.04 0.54 -0.49 0.11 -1.08 0.00 0.00 178.44 177.47 1cei h LYS 20 N 0.79 0.00 -0.24 1.13 1.79 -0.31 -0.74 116.57 118.99 1cei h LYS 20 Ca 0.21 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.50 1cei h LYS 20 Cb -0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1cei h LYS 20 CO -0.04 0.49 -0.56 1.49 -1.08 0.00 0.00 179.45 179.76 1cei h GLU 21 N 0.00 0.74 -0.65 3.15 4.57 -0.26 -1.63 114.58 120.51 1cei h GLU 21 Ca -0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1cei h GLU 21 Cb 0.98 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1cei h GLU 21 CO 0.06 1.09 0.21 0.82 -1.18 0.00 0.00 179.01 180.02 1cei h ILE 22 N 0.56 1.25 -0.99 2.32 2.04 -0.99 -1.25 117.51 120.44 1cei h ILE 22 Ca 0.01 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1cei h ILE 22 Cb 1.14 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1cei h ILE 22 CO 0.12 0.32 0.65 -0.33 0.00 0.00 0.00 178.15 178.90 1cei h GLU 23 N 0.93 1.32 -0.40 2.37 5.08 -0.92 -1.41 114.58 121.54 1cei h GLU 23 Ca 0.21 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1cei h GLU 23 Cb 0.28 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1cei h GLU 23 CO -0.01 0.88 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.58 1cei h LYS 24 N 1.35 0.77 0.00 2.33 3.64 -0.95 -2.68 116.57 121.04 1cei h LYS 24 Ca 0.36 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1cei h LYS 24 Cb -0.14 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1cei h LYS 24 CO -0.08 0.89 0.00 0.39 -2.27 0.00 0.00 179.45 178.38 1cei n GLU 25 N -4.35 0.13 0.21 1.90 -0.58 -0.50 -2.27 120.64 115.17 1cei n GLU 25 Ca -0.01 0.13 0.15 0.00 -0.42 0.00 0.00 57.16 57.00 1cei n GLU 25 Cb 0.35 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.26 1cei n GLU 25 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1cei h ASN 26 N 0.00 0.00 -0.25 1.62 -0.26 -0.91 -2.41 115.58 113.37 1cei h ASN 26 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1cei h ASN 26 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1cei h ASN 26 CO 0.00 0.00 0.00 1.33 -1.06 0.00 0.00 177.43 177.70 1cei n VAL 27 N -2.74 1.20 -1.12 2.81 0.24 -0.96 -5.04 118.33 112.72 1cei n VAL 27 Ca 0.02 -1.16 -0.32 0.00 -2.04 0.00 0.00 64.34 60.83 1cei n VAL 27 Cb 0.32 0.37 0.12 0.00 -1.47 0.00 0.00 33.84 33.18 1cei n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cei s ALA 28 N -1.31 1.90 0.10 2.33 0.00 -0.91 -4.93 121.76 118.94 1cei s ALA 28 Ca 0.21 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 1cei s ALA 28 Cb 0.13 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1cei s ALA 28 CO 0.11 -2.19 1.70 0.00 0.00 0.00 0.00 175.76 175.38 1cei h ALA 29 N -1.07 -0.11 -4.80 0.00 0.00 -1.95 -3.45 119.26 107.89 1cei h ALA 29 Ca -0.45 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 1cei h ALA 29 Cb 1.27 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1cei h ALA 29 CO 0.47 -0.58 -0.17 0.25 0.00 0.00 0.00 179.25 179.22 1cei n THR 30 N -5.21 0.00 0.68 0.00 -2.24 -1.26 -5.06 114.28 101.19 1cei n THR 30 Ca -0.06 -1.12 0.07 0.00 -2.27 0.00 0.00 64.05 60.67 1cei n THR 30 Cb 0.13 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 1cei n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1cei n ASP 31 N -1.68 1.47 -0.02 3.42 9.92 -1.26 -4.71 116.55 123.69 1cei n ASP 31 Ca -0.04 -1.24 -0.11 0.00 -0.53 0.00 0.00 54.79 52.87 1cei n ASP 31 Cb 0.32 0.52 -0.05 0.00 -0.64 0.00 0.00 41.12 41.27 1cei n ASP 31 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1cei h ASP 32 N 1.51 0.17 -0.16 -2.24 3.32 -1.97 -1.02 116.42 116.03 1cei h ASP 32 Ca 0.00 -0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.74 1cei h ASP 32 Cb 0.50 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.01 1cei h ASP 32 CO 0.00 0.23 -0.68 0.58 -1.72 0.00 0.00 179.24 177.65 1cei h VAL 33 N 0.09 1.29 -0.72 -1.35 2.07 -1.97 -3.21 116.25 112.45 1cei h VAL 33 Ca 0.04 -1.90 0.11 0.00 0.82 0.00 0.00 66.70 65.78 1cei h VAL 33 Cb 0.11 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1cei h VAL 33 CO -0.01 0.60 0.33 0.25 0.02 0.00 0.00 177.57 178.76 1cei h LEU 34 N 0.47 0.38 -0.72 2.57 5.85 -1.76 -1.62 115.31 120.47 1cei h LEU 34 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1cei h LEU 34 Cb 1.32 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1cei h LEU 34 CO 0.14 0.19 0.41 0.44 -0.34 0.00 0.00 178.44 179.29 1cei h ASP 35 N 0.53 0.89 -0.05 1.25 3.32 -1.20 0.76 116.42 121.91 1cei h ASP 35 Ca 0.38 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 1cei h ASP 35 Cb 0.48 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1cei h ASP 35 CO -0.33 0.71 -0.38 -0.37 -1.72 0.00 0.00 179.24 177.16 1cei h VAL 36 N 0.99 1.30 -0.56 -1.35 -1.51 -1.41 0.15 116.25 113.86 1cei h VAL 36 Ca 0.26 -1.53 -0.06 0.00 -1.23 0.00 0.00 66.70 64.14 1cei h VAL 36 Cb 0.01 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 1cei h VAL 36 CO -0.04 0.48 0.11 -0.07 -1.23 0.00 0.00 177.57 176.82 1cei h LEU 37 N 0.46 0.88 -0.45 4.19 4.07 -0.88 0.03 115.31 123.62 1cei h LEU 37 Ca 0.04 -0.25 -0.17 0.00 0.08 0.00 0.00 57.88 57.59 1cei h LEU 37 Cb 0.87 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1cei h LEU 37 CO 0.07 0.90 -0.51 -0.07 -1.08 0.00 0.00 178.44 177.76 1cei h LEU 38 N 0.82 0.78 -0.09 1.67 4.07 -0.77 -0.53 115.31 121.25 1cei h LEU 38 Ca 0.17 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.75 1cei h LEU 38 Cb 0.38 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1cei h LEU 38 CO 0.01 1.15 0.02 -0.33 -1.08 0.00 0.00 178.44 178.20 1cei h GLU 39 N 0.55 0.06 -0.44 1.13 5.08 -0.76 -2.23 114.58 117.97 1cei h GLU 39 Ca 0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cei h GLU 39 Cb 1.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1cei h GLU 39 CO 0.11 0.04 0.26 1.25 -1.00 0.00 0.00 179.01 179.66 1cei h HIS 40 N 0.06 0.58 -0.65 4.33 2.76 -0.84 -0.69 115.15 120.70 1cei h HIS 40 Ca 0.04 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1cei h HIS 40 Cb 0.03 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.74 1cei h HIS 40 CO -0.11 0.41 0.33 0.35 -1.30 0.00 0.00 177.93 177.61 1cei h PHE 41 N 0.58 0.60 -0.46 5.26 3.57 -1.03 -1.20 116.94 124.26 1cei h PHE 41 Ca 0.16 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 1cei h PHE 41 Cb 0.00 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1cei h PHE 41 CO -0.03 0.25 -0.17 0.28 -2.23 0.00 0.00 178.31 176.41 1cei h VAL 42 N 0.60 1.27 0.50 1.41 2.07 -0.99 -2.69 116.25 118.43 1cei h VAL 42 Ca 0.30 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1cei h VAL 42 Cb 0.26 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1cei h VAL 42 CO -0.22 0.45 -0.24 0.50 0.02 0.00 0.00 177.57 178.08 1cei h LYS 43 N 0.76 -0.65 0.00 1.57 3.64 -0.61 -2.30 116.57 118.98 1cei h LYS 43 Ca 0.11 0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 1cei h LYS 43 Cb 0.74 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1cei h LYS 43 CO 0.06 -0.44 -0.76 -0.84 -2.27 0.00 0.00 179.45 175.21 1cei h ILE 44 N -0.68 1.42 0.17 2.00 3.07 -1.30 -3.29 117.51 118.90 1cei h ILE 44 Ca -0.07 -2.71 -0.31 0.00 1.55 0.00 0.00 64.86 63.33 1cei h ILE 44 Cb 0.52 2.51 0.01 0.00 -0.27 0.00 0.00 36.82 39.60 1cei h ILE 44 CO 0.11 0.74 -1.43 0.71 -1.05 0.00 0.00 178.15 177.24 1cei h THR 45 N 0.00 1.31 -2.58 0.16 1.35 -1.51 -3.36 112.91 108.28 1cei h THR 45 Ca -0.01 -2.85 -0.33 0.00 -0.55 0.00 0.00 66.41 62.68 1cei h THR 45 Cb 1.45 2.92 -0.06 0.00 -1.73 0.00 0.00 68.15 70.73 1cei h THR 45 CO 0.10 0.85 -0.37 -0.62 -0.25 0.00 0.00 175.52 175.22 1cei n GLU 46 N -3.57 -1.73 -2.86 4.72 1.02 -0.87 -4.96 120.64 112.39 1cei n GLU 46 Ca -0.14 0.86 -0.40 0.00 -0.02 0.00 0.00 57.16 57.46 1cei n GLU 46 Cb 1.06 -5.36 -0.06 0.00 -0.02 0.00 0.00 31.44 27.06 1cei n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1cei s HIS 47 N -2.65 3.90 0.47 -0.32 2.46 -1.26 -4.96 115.29 112.93 1cei s HIS 47 Ca 0.00 1.74 0.22 0.00 0.47 0.00 0.00 55.06 57.49 1cei s HIS 47 Cb 0.00 -2.89 1.23 0.00 -0.13 0.00 0.00 32.58 30.78 1cei s HIS 47 CO 0.00 0.42 1.90 -1.00 -2.47 0.00 0.00 174.74 173.60 1cei h PRO 48 N 4.60 0.23 0.00 2.88 0.13 -1.98 -1.00 132.00 136.86 1cei h PRO 48 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cei h PRO 48 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1cei h PRO 48 CO 0.68 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1cei n ASP 49 N -4.42 0.72 0.00 1.44 9.92 -1.26 -4.98 116.55 117.96 1cei n ASP 49 Ca 0.16 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 55.04 1cei n ASP 49 Cb 0.71 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1cei n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cei n GLY 50 N 0.71 3.45 0.00 0.44 0.00 -0.38 -1.56 105.19 107.85 1cei n GLY 50 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1cei n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cei n THR 51 N 0.00 0.18 0.28 2.61 -2.24 -1.26 -2.70 114.28 111.14 1cei n THR 51 Ca 0.00 0.04 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 1cei n THR 51 Cb 0.00 -0.60 0.95 0.00 -2.10 0.00 0.00 70.33 68.59 1cei n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cei h ASP 52 N 0.00 0.00 -0.44 3.42 5.19 -1.63 0.47 116.42 123.42 1cei h ASP 52 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1cei h ASP 52 Cb 0.37 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1cei h ASP 52 CO 0.00 0.00 0.30 -0.07 -3.12 0.00 0.00 179.24 176.35 1cei h LEU 53 N 0.00 0.36 0.02 1.55 3.38 -1.67 0.39 115.31 119.34 1cei h LEU 53 Ca 0.03 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1cei h LEU 53 Cb 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1cei h LEU 53 CO -0.00 0.25 -1.34 0.40 0.09 0.00 0.00 178.44 177.84 1cei h ILE 54 N 0.42 0.90 0.00 1.22 2.04 -1.17 -3.37 117.51 117.55 1cei h ILE 54 Ca 0.19 -2.22 -0.20 0.00 1.00 0.00 0.00 64.86 63.63 1cei h ILE 54 Cb 0.22 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1cei h ILE 54 CO -0.05 0.42 -1.48 -1.22 0.00 0.00 0.00 178.15 175.83 1cei n TYR 55 N -4.28 1.00 -3.11 1.37 4.01 -0.81 -4.54 117.16 110.81 1cei n TYR 55 Ca -0.31 0.34 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1cei n TYR 55 Cb 0.74 -1.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.61 1cei n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1cei n TYR 56 N -2.93 1.88 -1.72 -0.72 4.01 0.13 -5.04 117.16 112.78 1cei n TYR 56 Ca -0.11 -3.89 -0.37 0.00 -0.16 0.00 0.00 57.90 53.36 1cei n TYR 56 Cb 0.89 -0.45 0.06 0.00 -0.31 0.00 0.00 39.34 39.53 1cei n TYR 56 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1cei n PRO 57 N 0.19 1.19 -1.71 -0.72 -0.04 -1.12 -4.58 135.00 128.22 1cei n PRO 57 Ca 0.27 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.78 1cei n PRO 57 Cb 0.53 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1cei n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cei n SER 58 N -1.59 2.77 0.22 3.54 2.88 -1.26 -4.90 113.62 115.27 1cei n SER 58 Ca 0.15 1.16 0.06 0.00 -1.33 0.00 0.00 58.87 58.90 1cei n SER 58 Cb 0.47 -1.51 0.49 0.00 -0.75 0.00 0.00 64.21 62.91 1cei n SER 58 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1cei h ASP 59 N 2.34 0.00 0.08 -3.46 3.32 -2.01 -2.35 116.42 114.35 1cei h ASP 59 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cei h ASP 59 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1cei h ASP 59 CO 0.61 0.25 0.00 0.59 -1.72 0.00 0.00 179.24 178.97 1cei n ASN 60 N -4.07 0.00 -4.21 6.45 3.02 -1.26 -4.83 115.26 110.37 1cei n ASN 60 Ca -0.02 -0.70 -0.19 0.00 -0.03 0.00 0.00 54.58 53.65 1cei n ASN 60 Cb 0.32 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.32 1cei n ASN 60 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1cei s ARG 61 N -2.10 0.92 -0.10 3.52 3.52 -0.88 -5.10 118.95 118.72 1cei s ARG 61 Ca 0.37 -1.06 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1cei s ARG 61 Cb 0.18 -0.92 -0.03 0.00 -1.56 0.00 0.00 34.95 32.62 1cei s ARG 61 CO 0.32 0.20 1.27 0.34 -0.81 0.00 0.00 175.30 176.61 1cei s ASP 62 N -1.97 6.97 -1.38 -2.12 2.15 -1.26 -4.78 116.67 114.27 1cei s ASP 62 Ca 0.02 1.80 -0.14 0.00 0.43 0.00 0.00 52.55 54.65 1cei s ASP 62 Cb -0.09 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.06 1cei s ASP 62 CO 0.03 -0.70 2.02 -0.67 -0.17 0.00 0.00 175.17 175.68 1cei n ASP 63 N 5.98 4.37 -3.99 -0.34 2.03 -1.26 -4.19 116.55 119.15 1cei n ASP 63 Ca 0.13 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 52.44 1cei n ASP 63 Cb 0.45 -1.65 -0.07 0.00 -0.72 0.00 0.00 41.12 39.13 1cei n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1cei s SER 64 N 3.14 0.00 0.38 1.67 1.04 -1.26 -5.00 113.70 113.68 1cei s SER 64 Ca 0.48 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1cei s SER 64 Cb 0.10 0.48 0.76 0.00 0.10 0.00 0.00 66.02 67.46 1cei s SER 64 CO -0.03 -0.96 2.01 -0.65 0.98 0.00 0.00 173.24 174.59 1cei h PRO 65 N 2.46 0.58 0.00 4.02 0.11 -1.97 -1.83 132.00 135.37 1cei h PRO 65 Ca -0.31 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 1cei h PRO 65 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1cei h PRO 65 CO 0.45 0.44 -0.46 1.05 -0.21 0.00 0.00 178.00 179.27 1cei h GLU 66 N 0.59 0.00 -0.92 1.05 4.11 -1.96 -1.41 114.58 116.04 1cei h GLU 66 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 1cei h GLU 66 Cb 0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1cei h GLU 66 CO -0.02 0.46 0.56 0.78 0.07 0.00 0.00 179.01 180.85 1cei h GLY 67 N 3.00 1.33 0.84 1.06 0.00 -1.54 -1.41 103.07 106.35 1cei h GLY 67 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 1cei h GLY 67 CO 0.06 0.53 -0.25 -2.22 0.00 0.00 0.00 176.54 174.66 1cei h ILE 68 N 1.27 1.34 -0.80 2.60 2.04 -0.86 -2.41 117.51 120.68 1cei h ILE 68 Ca 0.33 -1.45 0.12 0.00 1.00 0.00 0.00 64.86 64.86 1cei h ILE 68 Cb -0.07 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 1cei h ILE 68 CO -0.06 0.44 0.41 0.58 0.00 0.00 0.00 178.15 179.52 1cei h VAL 69 N 0.17 0.79 -0.03 1.67 2.07 -1.20 -1.28 116.25 118.44 1cei h VAL 69 Ca 0.02 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1cei h VAL 69 Cb 0.82 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1cei h VAL 69 CO 0.06 0.12 0.02 0.50 0.02 0.00 0.00 177.57 178.28 1cei h LYS 70 N 0.64 0.04 -0.63 1.57 3.64 -1.10 -1.01 116.57 119.72 1cei h LYS 70 Ca 0.42 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1cei h LYS 70 Cb 0.52 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1cei h LYS 70 CO -0.32 0.12 0.36 1.49 -2.27 0.00 0.00 179.45 178.83 1cei h GLU 71 N -0.04 0.66 -0.19 1.90 4.81 -1.01 -1.36 114.58 119.34 1cei h GLU 71 Ca 0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1cei h GLU 71 Cb 0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1cei h GLU 71 CO -0.00 0.44 0.01 0.82 -0.73 0.00 0.00 179.01 179.54 1cei h ILE 72 N 0.68 1.24 -0.66 2.32 2.04 -0.93 -1.19 117.51 121.01 1cei h ILE 72 Ca 0.27 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1cei h ILE 72 Cb 0.13 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1cei h ILE 72 CO -0.16 0.25 0.30 0.50 0.00 0.00 0.00 178.15 179.05 1cei h LYS 73 N 0.09 0.51 -0.26 2.37 3.64 -1.06 -1.11 116.57 120.75 1cei h LYS 73 Ca 0.05 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1cei h LYS 73 Cb 0.36 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1cei h LYS 73 CO 0.01 0.34 -0.50 0.93 -2.27 0.00 0.00 179.45 177.95 1cei h GLU 74 N 0.52 0.72 -0.39 1.90 5.08 -1.11 -2.03 114.58 119.27 1cei h GLU 74 Ca 0.33 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1cei h GLU 74 Cb 0.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1cei h GLU 74 CO -0.27 1.05 -0.16 2.35 -1.00 0.00 0.00 179.01 180.98 1cei h TRP 75 N 0.56 0.90 -0.28 4.33 2.91 -0.75 -1.44 115.95 122.19 1cei h TRP 75 Ca 0.02 -0.21 -0.10 0.00 1.13 0.00 0.00 58.89 59.73 1cei h TRP 75 Cb 1.07 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 1cei h TRP 75 CO 0.05 0.95 -0.26 0.00 -1.03 0.00 0.00 178.44 178.15 1cei h ARG 76 N 0.59 0.54 -0.44 2.65 3.08 -1.21 -2.32 114.38 117.28 1cei h ARG 76 Ca 0.09 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 1cei h ARG 76 Cb 0.70 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1cei h ARG 76 CO 0.05 0.76 -0.28 0.00 -1.07 0.00 0.00 179.97 179.43 1cei h ALA 77 N 1.25 0.67 0.00 0.04 0.00 -1.24 -0.78 119.26 119.20 1cei h ALA 77 Ca 0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1cei h ALA 77 Cb 0.70 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cei h ALA 77 CO 0.05 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.86 1cei h ALA 78 N 0.86 1.06 -0.33 0.00 0.00 -1.08 -2.67 119.26 117.11 1cei h ALA 78 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cei h ALA 78 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cei h ALA 78 CO 0.08 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1cei n ASN 79 N -3.32 3.07 -1.70 0.00 3.02 -0.82 -4.97 115.26 110.54 1cei n ASN 79 Ca -0.00 -1.89 -0.12 0.00 -0.03 0.00 0.00 54.58 52.53 1cei n ASN 79 Cb 0.33 -0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1cei n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cei n GLY 80 N 1.09 0.01 3.66 7.41 0.00 -0.63 -5.02 105.19 111.72 1cei n GLY 80 Ca 0.15 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1cei n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cei s LYS 81 N -5.10 2.42 0.32 1.61 1.02 -0.39 -5.04 119.74 114.58 1cei s LYS 81 Ca 0.15 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 1cei s LYS 81 Cb -0.07 -2.40 -0.12 0.00 -0.52 0.00 0.00 37.83 34.72 1cei s LYS 81 CO 0.18 0.48 1.45 -0.35 -0.92 0.00 0.00 175.35 176.20 1cei n PRO 82 N 0.15 2.44 0.00 -1.68 -0.04 -1.26 -4.38 135.00 130.24 1cei n PRO 82 Ca -0.10 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1cei n PRO 82 Cb 0.54 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1cei n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cei n GLY 83 N 1.25 2.21 3.81 0.55 0.00 -1.26 -4.80 105.19 106.96 1cei n GLY 83 Ca 0.06 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1cei n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cei s PHE 84 N 3.22 3.06 0.34 1.61 0.08 -1.26 -3.62 117.98 121.41 1cei s PHE 84 Ca 0.00 1.50 -0.28 0.00 0.12 0.00 0.00 56.93 58.27 1cei s PHE 84 Cb 0.00 -2.98 -0.10 0.00 -0.57 0.00 0.00 43.02 39.37 1cei s PHE 84 CO 0.00 -1.01 1.31 0.21 -0.10 0.00 0.00 175.22 175.63 1cei s LYS 85 N -4.08 4.31 0.27 0.44 2.20 -0.04 -4.95 119.74 117.89 1cei s LYS 85 Ca 0.63 2.21 -0.25 0.00 -0.36 0.00 0.00 55.97 58.20 1cei s LYS 85 Cb -0.15 -3.04 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1cei s LYS 85 CO 0.36 -0.22 0.87 -1.14 -0.36 0.00 0.00 175.35 174.86 1cei s GLN 86 N -1.85 4.54 0.00 4.03 0.74 -1.26 -4.19 119.66 121.67 1cei s GLN 86 Ca 0.50 1.22 0.00 0.00 0.05 0.00 0.00 55.36 57.13 1cei s GLN 86 Cb -0.40 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1cei s GLN 86 CO 0.53 0.38 0.00 0.41 -0.55 0.00 0.00 175.29 176.05