#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frc n ASP 2 N 0.00 4.35 -0.40 1.61 8.00 -1.26 -4.71 116.55 124.14 2frc n ASP 2 Ca 0.00 -2.88 0.39 0.00 0.71 0.00 0.00 54.79 53.01 2frc n ASP 2 Cb 0.00 -1.70 0.66 0.00 -0.02 0.00 0.00 41.12 40.07 2frc n ASP 2 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2frc h VAL 3 N 4.72 0.09 -0.64 2.53 -1.51 -1.84 0.15 116.25 119.76 2frc h VAL 3 Ca 0.51 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 66.07 2frc h VAL 3 Cb 0.75 0.12 -0.11 0.00 -2.13 0.00 0.00 31.29 29.92 2frc h VAL 3 CO 1.69 0.00 -0.48 -0.08 -1.23 0.00 0.00 177.57 177.47 2frc h GLU 4 N 0.00 -0.20 0.00 5.19 4.81 -1.89 -0.52 114.58 121.97 2frc h GLU 4 Ca 0.66 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.69 2frc h GLU 4 Cb 3.02 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 32.41 2frc h GLU 4 CO -0.01 -0.14 -1.27 -0.22 -0.73 0.00 0.00 179.01 176.64 2frc h LYS 5 N -0.21 0.00 0.00 1.92 3.64 -1.10 -3.22 116.57 117.60 2frc h LYS 5 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2frc h LYS 5 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2frc h LYS 5 CO -0.73 0.55 0.00 0.41 -2.27 0.00 0.00 179.45 177.41 2frc n GLY 6 N 1.41 -2.94 0.33 5.01 0.00 -0.33 0.12 105.19 108.79 2frc n GLY 6 Ca -0.08 0.40 0.21 0.00 0.00 0.00 0.00 46.02 46.56 2frc n GLY 6 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2frc h LYS 7 N 0.00 0.00 0.00 1.61 2.10 -1.37 -0.67 116.57 118.23 2frc h LYS 7 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2frc h LYS 7 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2frc h LYS 7 CO 0.00 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.62 2frc n LYS 8 N -3.02 0.00 -0.61 0.07 3.00 0.19 -1.28 118.16 116.50 2frc n LYS 8 Ca -0.03 0.00 0.48 0.00 -0.00 0.00 0.00 58.31 58.76 2frc n LYS 8 Cb 0.12 -0.29 0.76 0.00 0.00 0.00 0.00 35.03 35.62 2frc n LYS 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2frc n ILE 9 N -0.39 -0.10 0.25 3.15 2.08 0.32 0.12 119.36 124.79 2frc n ILE 9 Ca 0.00 1.61 -0.11 0.00 0.56 0.00 0.00 62.75 64.81 2frc n ILE 9 Cb 0.00 -2.66 -0.05 0.00 -0.75 0.00 0.00 39.64 36.18 2frc n ILE 9 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 2frc h PHE 10 N 0.00 -0.64 0.00 1.39 3.57 -1.18 -2.90 116.94 117.19 2frc h PHE 10 Ca 0.91 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.40 2frc h PHE 10 Cb 3.39 0.21 0.00 0.00 2.79 0.00 0.00 35.95 42.34 2frc h PHE 10 CO -0.00 -0.40 0.00 1.55 -2.23 0.00 0.00 178.31 177.23 2frc n VAL 11 N -4.86 0.00 -0.05 1.41 3.14 0.30 0.39 118.33 118.66 2frc n VAL 11 Ca -0.09 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.27 2frc n VAL 11 Cb 0.27 -0.45 -0.01 0.00 -1.06 0.00 0.00 33.84 32.59 2frc n VAL 11 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2frc h GLN 12 N 0.00 0.00 0.00 1.45 1.08 0.12 -3.33 115.11 114.43 2frc h GLN 12 Ca 0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 2frc h GLN 12 Cb 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 2frc h GLN 12 CO 0.00 0.00 -2.42 1.63 -0.95 0.00 0.00 178.83 177.09 2frc n LYS 13 N -3.91 0.67 0.00 1.46 5.02 -1.12 -4.28 118.16 116.00 2frc n LYS 13 Ca -0.04 0.11 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 2frc n LYS 13 Cb 0.15 -1.51 0.56 0.00 -0.02 0.00 0.00 35.03 34.21 2frc n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2frc h ALA 15 N 2.90 1.44 0.13 0.00 0.00 -0.61 0.79 119.26 123.90 2frc h ALA 15 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2frc h ALA 15 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2frc h ALA 15 CO 0.00 0.40 -0.06 1.96 0.00 0.00 0.00 179.25 181.55 2frc h GLN 16 N 0.15 -0.16 0.00 0.00 4.20 -1.78 -2.04 115.11 115.47 2frc h GLN 16 Ca 0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2frc h GLN 16 Cb 0.50 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2frc h GLN 16 CO 0.03 -0.11 -0.01 0.00 -0.67 0.00 0.00 178.83 178.07 2frc n HIS 18 N -1.98 2.98 -1.68 0.00 8.25 0.28 0.51 115.22 123.57 2frc n HIS 18 Ca 0.06 -3.35 -0.43 0.00 -0.26 0.00 0.00 57.72 53.75 2frc n HIS 18 Cb 0.40 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 2frc n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2frc s THR 19 N -4.65 3.07 -0.92 1.59 -4.23 -0.77 -4.47 115.64 105.27 2frc s THR 19 Ca 0.44 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.79 2frc s THR 19 Cb 0.37 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2frc s THR 19 CO -0.13 -0.03 1.39 -0.69 -0.54 0.00 0.00 174.62 174.61 2frc s VAL 20 N 6.21 3.86 0.00 2.29 1.01 -1.26 -4.11 120.40 128.40 2frc s VAL 20 Ca 0.92 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2frc s VAL 20 Cb -0.37 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.00 2frc s VAL 20 CO 0.38 -1.91 0.00 -0.62 0.00 0.00 0.00 175.10 172.95 2frc n GLU 21 N 9.04 0.00 -1.65 2.72 1.02 -1.26 -5.06 120.64 125.46 2frc n GLU 21 Ca 0.22 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.89 2frc n GLU 21 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.88 2frc n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2frc n LYS 22 N 0.00 2.17 0.00 3.49 4.81 -1.26 -4.79 118.16 122.57 2frc n LYS 22 Ca 0.00 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2frc n LYS 22 Cb 0.00 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.30 2frc n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2frc n GLY 23 N 4.78 -1.41 7.00 3.14 0.00 -1.26 -4.87 105.19 112.57 2frc n GLY 23 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2frc n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frc n GLY 24 N -0.34 -0.96 3.51 -0.02 0.00 -1.26 -4.26 105.19 101.87 2frc n GLY 24 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2frc n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2frc n LYS 25 N -1.91 0.22 -0.49 1.61 5.02 -1.26 -4.83 118.16 116.52 2frc n LYS 25 Ca 0.00 -0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 2frc n LYS 25 Cb 0.00 -1.89 0.22 0.00 -0.02 0.00 0.00 35.03 33.34 2frc n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2frc n HIS 26 N 10.73 -2.12 -2.29 2.13 8.25 -1.25 -5.04 115.22 125.62 2frc n HIS 26 Ca 0.60 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2frc n HIS 26 Cb 0.19 -1.51 0.00 0.00 1.12 0.00 0.00 29.99 29.79 2frc n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2frc n LYS 27 N -3.61 0.93 -0.08 -0.41 5.02 -1.26 -4.78 118.16 113.97 2frc n LYS 27 Ca 0.05 0.00 0.25 0.00 -2.02 0.00 0.00 58.31 56.58 2frc n LYS 27 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.27 2frc n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2frc h THR 28 N 0.00 0.57 -2.91 -0.18 1.03 -1.96 -3.37 112.91 106.10 2frc h THR 28 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.08 2frc h THR 28 Cb 0.00 0.62 -0.36 0.00 -1.07 0.00 0.00 68.15 67.34 2frc h THR 28 CO 0.00 0.00 -0.65 -0.83 -0.01 0.00 0.00 175.52 174.03 2frc s GLY 29 N -3.97 0.07 0.39 2.99 0.00 0.18 -4.95 107.32 102.04 2frc s GLY 29 Ca -0.05 0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 2frc s GLY 29 CO 0.72 1.83 1.08 2.56 0.00 0.00 0.00 173.10 179.29 2frc s PRO 30 N 2.28 4.16 -0.79 2.90 0.04 -1.26 -3.75 135.00 138.59 2frc s PRO 30 Ca 0.04 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 2frc s PRO 30 Cb -0.14 -2.60 -0.17 0.00 0.04 0.00 0.00 34.50 31.63 2frc s PRO 30 CO -0.08 -0.16 2.51 0.27 0.04 0.00 0.00 177.00 179.57 2frc n ASN 31 N 0.03 1.01 -1.30 6.66 6.94 -1.26 -4.69 115.26 122.65 2frc n ASN 31 Ca 0.05 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 2frc n ASN 31 Cb 0.49 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 2frc n ASN 31 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2frc n LEU 32 N 12.85 3.49 -0.84 -4.53 -0.00 -1.26 -3.84 117.00 122.87 2frc n LEU 32 Ca 0.53 -1.63 0.05 0.00 -0.00 0.00 0.00 56.01 54.96 2frc n LEU 32 Cb 0.28 -0.68 0.17 0.00 -0.00 0.00 0.00 43.42 43.18 2frc n LEU 32 CO 0.83 0.63 0.61 0.00 -0.00 0.00 0.00 177.39 179.46 2frc n HIS 33 N 1.10 0.66 -2.61 1.47 1.44 -1.26 -3.49 115.22 112.53 2frc n HIS 33 Ca 0.00 -0.28 0.01 0.00 -2.01 0.00 0.00 57.72 55.44 2frc n HIS 33 Cb 0.41 -0.10 0.03 0.00 0.12 0.00 0.00 29.99 30.46 2frc n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2frc n GLY 34 N 0.81 1.36 0.29 -1.39 0.00 -1.25 0.13 105.19 105.14 2frc n GLY 34 Ca 0.12 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2frc n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2frc h LEU 35 N 1.57 0.92 -2.24 0.99 5.85 -1.86 0.59 115.31 121.13 2frc h LEU 35 Ca -0.24 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2frc h LEU 35 Cb 1.56 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2frc h LEU 35 CO 0.08 0.83 0.09 -0.26 -0.34 0.00 0.00 178.44 178.84 2frc h PHE 36 N 0.95 0.00 0.00 1.25 -1.00 -1.82 0.11 116.94 116.43 2frc h PHE 36 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2frc h PHE 36 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2frc h PHE 36 CO 0.01 0.00 -1.01 0.41 -1.61 0.00 0.00 178.31 176.11 2frc n GLY 37 N -1.18 -0.32 3.69 -1.45 0.00 -0.08 -4.51 105.19 101.34 2frc n GLY 37 Ca -0.02 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2frc n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2frc s ARG 38 N -2.45 4.29 1.08 1.61 0.52 0.19 -4.97 118.95 119.23 2frc s ARG 38 Ca 0.00 0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 55.69 2frc s ARG 38 Cb 0.08 -3.51 0.14 0.00 0.52 0.00 0.00 34.95 32.19 2frc s ARG 38 CO 0.50 -0.07 0.46 1.63 0.02 0.00 0.00 175.30 177.83 2frc n LYS 39 N 4.41 -1.46 0.30 3.54 5.02 -1.26 -2.63 118.16 126.08 2frc n LYS 39 Ca -0.03 -0.39 0.15 0.00 -2.02 0.00 0.00 58.31 56.02 2frc n LYS 39 Cb 0.51 -1.92 0.81 0.00 -0.02 0.00 0.00 35.03 34.41 2frc n LYS 39 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2frc h THR 40 N -2.11 0.00 -0.03 -0.18 1.35 -1.24 -3.29 112.91 107.41 2frc h THR 40 Ca -0.53 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.19 2frc h THR 40 Cb 1.33 0.66 -0.14 0.00 -1.73 0.00 0.00 68.15 68.27 2frc h THR 40 CO 0.40 0.00 -0.29 0.61 -0.25 0.00 0.00 175.52 176.00 2frc n GLY 41 N -1.21 -0.81 2.38 5.82 0.00 -0.21 -4.38 105.19 106.78 2frc n GLY 41 Ca -0.02 0.56 -0.03 0.00 0.00 0.00 0.00 46.02 46.53 2frc n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2frc n GLN 42 N 1.65 1.77 -1.88 1.61 7.27 -1.24 -3.91 117.38 122.65 2frc n GLN 42 Ca 0.06 -3.37 -0.42 0.00 0.07 0.00 0.00 57.00 53.34 2frc n GLN 42 Cb 0.66 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.82 2frc n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2frc s ALA 43 N -3.13 3.64 -0.28 1.69 0.00 -1.21 -4.79 121.76 117.68 2frc s ALA 43 Ca 0.33 1.16 -0.35 0.00 0.00 0.00 0.00 51.96 53.10 2frc s ALA 43 Cb 0.35 -3.75 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 2frc s ALA 43 CO -0.05 -1.31 2.10 -2.30 0.00 0.00 0.00 175.76 174.19 2frc n PRO 44 N 6.54 1.39 0.00 0.00 -0.02 -1.26 -1.34 135.00 140.30 2frc n PRO 44 Ca 0.17 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2frc n PRO 44 Cb 0.41 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2frc n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2frc n GLY 45 N 5.84 1.95 2.94 -1.23 0.00 -1.26 -3.89 105.19 109.54 2frc n GLY 45 Ca 0.35 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2frc n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2frc n PHE 46 N 0.00 3.14 -2.30 1.61 7.35 -0.45 -4.94 117.46 121.87 2frc n PHE 46 Ca 0.00 -2.85 -0.39 0.00 -0.76 0.00 0.00 57.45 53.45 2frc n PHE 46 Cb 0.00 -1.93 -0.03 0.00 0.35 0.00 0.00 39.48 37.87 2frc n PHE 46 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2frc s THR 47 N 0.32 3.55 0.55 -2.13 -4.23 -1.07 -3.33 115.64 109.30 2frc s THR 47 Ca 0.39 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 2frc s THR 47 Cb 0.08 -4.44 -0.09 0.00 1.34 0.00 0.00 72.50 69.39 2frc s THR 47 CO 0.01 -1.39 -0.43 -1.22 -0.54 0.00 0.00 174.62 171.05 2frc n TYR 48 N 11.08 -2.90 -1.68 3.99 4.02 -1.26 -4.78 117.16 125.63 2frc n TYR 48 Ca 0.13 0.01 -0.38 0.00 -0.01 0.00 0.00 57.90 57.65 2frc n TYR 48 Cb 0.50 -0.85 0.05 0.00 -0.02 0.00 0.00 39.34 39.02 2frc n TYR 48 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2frc n THR 49 N -1.39 3.95 -0.44 -0.72 -1.04 -1.26 -4.04 114.28 109.34 2frc n THR 49 Ca -0.00 -0.50 0.34 0.00 -2.04 0.00 0.00 64.05 61.84 2frc n THR 49 Cb 0.32 -1.38 0.53 0.00 -1.82 0.00 0.00 70.33 67.98 2frc n THR 49 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2frc n ASP 50 N -1.01 0.04 0.01 8.00 9.92 -1.26 -1.02 116.55 131.23 2frc n ASP 50 Ca 0.13 0.74 -0.01 0.00 -0.53 0.00 0.00 54.79 55.12 2frc n ASP 50 Cb 0.46 -0.37 -0.01 0.00 -0.64 0.00 0.00 41.12 40.57 2frc n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2frc h ALA 51 N 0.78 -0.66 -0.02 2.24 0.00 -1.95 0.29 119.26 119.93 2frc h ALA 51 Ca 0.62 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.34 2frc h ALA 51 Cb 2.38 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 20.56 2frc h ALA 51 CO -0.09 -0.67 -0.82 -0.91 0.00 0.00 0.00 179.25 176.77 2frc h ASN 52 N -0.05 0.31 0.00 0.00 2.35 -1.32 -2.90 115.58 113.96 2frc h ASN 52 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2frc h ASN 52 Cb 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2frc h ASN 52 CO -0.01 1.00 0.00 0.29 -1.65 0.00 0.00 177.43 177.06 2frc n LYS 53 N -3.73 0.74 -0.12 0.81 4.76 -0.59 -1.04 118.16 118.99 2frc n LYS 53 Ca -0.04 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.46 2frc n LYS 53 Cb 0.76 -1.33 0.08 0.00 -1.84 0.00 0.00 35.03 32.70 2frc n LYS 53 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2frc n ASN 54 N -0.83 1.76 0.00 4.39 2.85 0.10 -4.88 115.26 118.66 2frc n ASN 54 Ca 0.12 -2.56 0.00 0.00 -0.11 0.00 0.00 54.58 52.02 2frc n ASN 54 Cb 0.05 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 40.80 2frc n ASN 54 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2frc n LYS 55 N -0.93 0.00 0.00 1.20 4.76 -1.10 -5.02 118.16 117.07 2frc n LYS 55 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2frc n LYS 55 Cb 0.56 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 2frc n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2frc n GLY 56 N 3.55 -0.28 0.00 0.72 0.00 -1.26 -5.07 105.19 102.85 2frc n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2frc n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2frc n ILE 57 N 0.00 0.00 -4.41 -0.61 -5.35 -1.26 -4.93 119.36 102.81 2frc n ILE 57 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 2frc n ILE 57 Cb 0.00 -0.50 -0.10 0.00 -1.74 0.00 0.00 39.64 37.30 2frc n ILE 57 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2frc s THR 58 N 0.78 2.00 -1.13 7.28 2.01 -1.26 -0.91 115.64 124.41 2frc s THR 58 Ca 0.00 -2.27 -0.22 0.00 0.31 0.00 0.00 61.69 59.51 2frc s THR 58 Cb 0.00 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2frc s THR 58 CO 0.00 -0.47 1.82 0.26 -0.69 0.00 0.00 174.62 175.54 2frc s TRP 59 N -2.80 2.20 -0.13 4.92 0.52 -0.80 -4.77 118.94 118.08 2frc s TRP 59 Ca 0.26 -0.19 -0.07 0.00 0.02 0.00 0.00 56.10 56.12 2frc s TRP 59 Cb -0.01 -4.29 -0.04 0.00 -1.15 0.00 0.00 33.47 27.97 2frc s TRP 59 CO 0.11 -1.57 0.14 -1.59 0.02 0.00 0.00 176.95 174.05 2frc s LYS 60 N 5.83 3.49 0.06 4.98 -2.85 -1.26 -2.41 119.74 127.59 2frc s LYS 60 Ca 0.62 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.48 2frc s LYS 60 Cb -0.01 -3.20 0.20 0.00 -2.06 0.00 0.00 37.83 32.76 2frc s LYS 60 CO 0.06 0.74 0.29 -1.91 0.10 0.00 0.00 175.35 174.63 2frc n GLU 61 N 2.10 -0.01 0.17 1.78 2.13 -1.26 0.89 120.64 126.43 2frc n GLU 61 Ca -0.20 0.26 -0.07 0.00 0.66 0.00 0.00 57.16 57.81 2frc n GLU 61 Cb 0.55 -0.45 -0.04 0.00 0.27 0.00 0.00 31.44 31.77 2frc n GLU 61 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2frc h GLU 62 N 0.00 -0.47 -0.47 5.31 5.08 -1.96 0.40 114.58 122.47 2frc h GLU 62 Ca 0.14 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2frc h GLU 62 Cb 0.34 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 2frc h GLU 62 CO -0.15 -0.31 -0.39 1.79 -1.00 0.00 0.00 179.01 178.94 2frc h THR 63 N -0.89 0.14 0.00 1.13 1.35 0.20 0.68 112.91 115.52 2frc h THR 63 Ca -0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 2frc h THR 63 Cb 0.37 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2frc h THR 63 CO 0.08 0.00 -0.25 0.17 -0.25 0.00 0.00 175.52 175.27 2frc h LEU 64 N -0.26 0.00 -2.23 3.87 -0.00 -1.42 0.45 115.31 115.72 2frc h LEU 64 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.07 2frc h LEU 64 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2frc h LEU 64 CO -0.61 0.25 0.08 0.24 -0.00 0.00 0.00 178.44 178.39 2frc h MET 65 N 0.00 0.00 0.00 0.17 2.86 0.48 0.83 114.93 119.27 2frc h MET 65 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 2frc h MET 65 Cb 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2frc h MET 65 CO 0.03 0.00 -0.85 0.93 1.06 0.00 0.00 176.91 178.09 2frc h GLU 66 N 0.00 0.00 0.00 1.72 5.08 0.61 -2.52 114.58 119.47 2frc h GLU 66 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2frc h GLU 66 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2frc h GLU 66 CO -0.00 0.47 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.43 2frc h TYR 67 N 0.00 0.00 -1.00 4.33 3.20 0.33 -2.26 116.97 121.57 2frc h TYR 67 Ca -0.06 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.04 2frc h TYR 67 Cb 1.48 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.63 2frc h TYR 67 CO 0.00 0.00 0.60 1.25 -1.64 0.00 0.00 178.16 178.37 2frc h LEU 68 N -0.28 0.71 -0.31 2.82 7.12 0.22 3.01 115.31 128.60 2frc h LEU 68 Ca 0.00 0.12 -0.20 0.00 0.13 0.00 0.00 57.88 57.93 2frc h LEU 68 Cb 0.13 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 2frc h LEU 68 CO 0.00 0.17 -0.83 1.05 -0.13 0.00 0.00 178.44 178.70 2frc h GLU 69 N 0.65 0.35 -2.12 1.25 -0.00 -1.53 -3.33 114.58 109.85 2frc h GLU 69 Ca 0.62 -0.33 -0.55 0.00 -0.00 0.00 0.00 59.36 59.09 2frc h GLU 69 Cb 1.09 0.08 -0.41 0.00 -0.00 0.00 0.00 28.75 29.52 2frc h GLU 69 CO -0.44 1.00 -0.90 -1.71 -0.00 0.00 0.00 179.01 176.96 2frc n ASN 70 N -3.77 2.30 0.15 3.06 2.85 0.40 -4.94 115.26 115.31 2frc n ASN 70 Ca -0.05 -3.22 -0.14 0.00 -0.11 0.00 0.00 54.58 51.07 2frc n ASN 70 Cb 0.77 -0.62 -0.08 0.00 1.24 0.00 0.00 39.78 41.09 2frc n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2frc h PRO 71 N 3.47 -0.30 0.00 1.20 0.13 0.52 0.60 132.00 137.61 2frc h PRO 71 Ca 0.12 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2frc h PRO 71 Cb 0.76 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2frc h PRO 71 CO 0.65 -0.13 0.00 1.17 -0.23 0.00 0.00 178.00 179.46 2frc n LYS 72 N -5.19 0.22 -0.06 0.86 4.81 -0.90 -1.45 118.16 116.46 2frc n LYS 72 Ca -0.09 0.14 0.03 0.00 -0.87 0.00 0.00 58.31 57.52 2frc n LYS 72 Cb 0.18 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.79 2frc n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2frc n LYS 73 N -1.27 1.76 0.00 1.64 4.81 -0.74 -4.75 118.16 119.61 2frc n LYS 73 Ca 0.07 -1.44 0.00 0.00 -0.87 0.00 0.00 58.31 56.08 2frc n LYS 73 Cb 0.11 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2frc n LYS 73 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2frc n TYR 74 N 0.14 0.00 0.19 5.64 9.36 0.13 -5.04 117.16 127.58 2frc n TYR 74 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2frc n TYR 74 Cb 0.27 0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2frc n TYR 74 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2frc n ILE 75 N -2.76 0.00 -1.40 2.97 -0.00 -0.53 -4.95 119.36 112.70 2frc n ILE 75 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 2frc n ILE 75 Cb 0.31 -0.01 -0.15 0.00 -0.00 0.00 0.00 39.64 39.79 2frc n ILE 75 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2frc n PRO 76 N -3.26 0.08 0.00 0.38 -0.02 -0.68 -2.08 135.00 129.41 2frc n PRO 76 Ca 0.00 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2frc n PRO 76 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2frc n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2frc n GLY 77 N 5.47 0.02 0.00 -1.23 0.00 -1.23 -2.12 105.19 106.10 2frc n GLY 77 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2frc n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2frc n THR 78 N -0.44 0.00 -0.06 2.61 5.66 -0.88 -4.63 114.28 116.54 2frc n THR 78 Ca 0.00 0.51 -0.22 0.00 -3.05 0.00 0.00 64.05 61.29 2frc n THR 78 Cb 0.00 -1.22 -0.13 0.00 -1.55 0.00 0.00 70.33 67.43 2frc n THR 78 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2frc h LYS 79 N 0.00 0.11 -6.12 1.09 1.57 -1.96 -3.46 116.57 107.80 2frc h LYS 79 Ca 0.00 -0.19 -0.76 0.00 -1.87 0.00 0.00 60.65 57.83 2frc h LYS 79 Cb 0.00 0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.41 2frc h LYS 79 CO 0.00 1.09 0.56 -0.12 -0.57 0.00 0.00 179.45 180.41 2frc n MET 80 N -4.08 0.67 -0.40 3.15 1.56 -1.26 -4.77 117.12 111.98 2frc n MET 80 Ca -0.31 0.24 0.06 0.00 -0.27 0.00 0.00 57.70 57.41 2frc n MET 80 Cb 0.82 -1.84 0.22 0.00 2.15 0.00 0.00 33.22 34.58 2frc n MET 80 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 2frc n ILE 81 N 3.25 1.19 -4.45 1.12 3.06 -1.26 -3.52 119.36 118.75 2frc n ILE 81 Ca 0.24 -0.74 -0.25 0.00 -2.50 0.00 0.00 62.75 59.50 2frc n ILE 81 Cb 0.10 -0.07 -0.10 0.00 0.54 0.00 0.00 39.64 40.11 2frc n ILE 81 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 2frc s PHE 82 N -1.77 2.30 0.00 9.51 -0.12 -1.26 -5.02 117.98 121.62 2frc s PHE 82 Ca 0.32 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2frc s PHE 82 Cb 0.21 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 2frc s PHE 82 CO 0.15 0.66 0.39 0.00 -0.05 0.00 0.00 175.22 176.36 2frc n ALA 83 N -0.38 1.04 0.00 1.99 0.00 -1.26 -4.29 120.51 117.61 2frc n ALA 83 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2frc n ALA 83 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2frc n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2frc n GLY 84 N 0.00 1.18 3.40 0.00 0.00 -1.26 -4.30 105.19 104.21 2frc n GLY 84 Ca -0.08 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2frc n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2frc s ILE 85 N -2.00 0.79 0.00 -0.61 1.01 -1.26 -5.08 121.20 114.06 2frc s ILE 85 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 2frc s ILE 85 Cb 0.00 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2frc s ILE 85 CO 0.00 0.00 0.87 1.17 0.00 0.00 0.00 174.94 176.98 2frc n LYS 86 N -0.62 0.00 0.00 2.79 4.81 -1.26 -4.39 118.16 119.49 2frc n LYS 86 Ca -0.02 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2frc n LYS 86 Cb 0.66 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.34 2frc n LYS 86 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2frc n LYS 87 N -2.13 0.00 0.00 1.64 5.02 -1.26 -5.05 118.16 116.39 2frc n LYS 87 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2frc n LYS 87 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 2frc n LYS 87 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2frc n LYS 88 N 0.00 0.00 0.00 1.97 5.02 -1.26 -4.92 118.16 118.97 2frc n LYS 88 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2frc n LYS 88 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.37 2frc n LYS 88 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2frc n THR 89 N -1.13 0.64 0.28 -0.18 -2.24 -1.26 -2.94 114.28 107.45 2frc n THR 89 Ca 0.00 0.16 0.15 0.00 -2.27 0.00 0.00 64.05 62.09 2frc n THR 89 Cb 0.00 -0.92 0.79 0.00 -2.10 0.00 0.00 70.33 68.10 2frc n THR 89 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2frc h GLU 90 N 0.00 0.00 0.04 -0.78 4.39 -1.96 0.83 114.58 117.10 2frc h GLU 90 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 2frc h GLU 90 Cb 0.15 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2frc h GLU 90 CO 0.00 0.00 -1.05 0.07 -1.16 0.00 0.00 179.01 176.87 2frc h ARG 91 N 0.00 0.48 -0.34 2.33 -0.00 -1.86 -3.16 114.38 111.84 2frc h ARG 91 Ca 0.00 -0.57 -0.04 0.00 -0.00 0.00 0.00 59.98 59.37 2frc h ARG 91 Cb 0.41 0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 30.53 2frc h ARG 91 CO 0.00 1.21 0.03 0.93 -0.00 0.00 0.00 179.97 182.14 2frc h GLU 92 N 0.25 0.51 -0.68 0.08 5.08 -1.09 -1.98 114.58 116.75 2frc h GLU 92 Ca -0.12 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2frc h GLU 92 Cb 1.71 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2frc h GLU 92 CO 0.19 0.52 0.38 -0.44 -1.00 0.00 0.00 179.01 178.65 2frc h ASP 93 N 0.50 0.83 -0.01 1.42 5.19 -1.50 -1.29 116.42 121.56 2frc h ASP 93 Ca 0.11 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 2frc h ASP 93 Cb 0.28 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2frc h ASP 93 CO 0.00 0.67 -0.30 0.25 -3.12 0.00 0.00 179.24 176.75 2frc h LEU 94 N 0.95 0.46 -2.72 1.55 5.85 -1.38 -0.38 115.31 119.64 2frc h LEU 94 Ca 0.24 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2frc h LEU 94 Cb 0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2frc h LEU 94 CO -0.04 0.74 0.06 0.40 -0.34 0.00 0.00 178.44 179.27 2frc h ILE 95 N 0.40 0.11 0.10 4.05 2.04 -0.96 0.91 117.51 124.14 2frc h ILE 95 Ca 0.05 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.65 2frc h ILE 95 Cb 0.72 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2frc h ILE 95 CO 0.06 0.00 -1.16 0.00 0.00 0.00 0.00 178.15 177.04 2frc h ALA 96 N 1.88 0.16 -0.55 1.87 0.00 -0.88 0.30 119.26 122.04 2frc h ALA 96 Ca 0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 2frc h ALA 96 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2frc h ALA 96 CO -0.00 0.89 0.34 -0.92 0.00 0.00 0.00 179.25 179.56 2frc h TYR 97 N 0.14 0.72 0.00 0.00 3.20 0.11 -2.58 116.97 118.56 2frc h TYR 97 Ca -0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2frc h TYR 97 Cb 1.85 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.89 2frc h TYR 97 CO 0.07 0.48 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.64 2frc h LEU 98 N 0.75 0.00 -0.95 2.82 3.38 -1.24 -2.03 115.31 118.05 2frc h LEU 98 Ca 0.20 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.50 2frc h LEU 98 Cb -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 2frc h LEU 98 CO -0.04 0.64 0.60 1.17 0.09 0.00 0.00 178.44 180.90 2frc n LYS 99 N -4.46 -0.03 -0.05 1.13 4.81 0.11 0.27 118.16 119.94 2frc n LYS 99 Ca -0.05 0.90 -0.19 0.00 -0.87 0.00 0.00 58.31 58.10 2frc n LYS 99 Cb 0.19 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.36 2frc n LYS 99 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2frc h LYS 100 N 0.00 0.08 0.00 1.64 3.64 -1.59 -2.53 116.57 117.81 2frc h LYS 100 Ca 0.62 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2frc h LYS 100 Cb 1.96 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2frc h LYS 100 CO -0.36 1.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.89 2frc n ALA 101 N -2.93 -0.30 -0.37 5.00 0.00 0.77 -1.65 120.51 121.03 2frc n ALA 101 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2frc n ALA 101 Cb 0.66 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.17 2frc n ALA 101 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2frc h THR 102 N 0.00 0.01 -0.72 0.00 1.35 0.93 0.61 112.91 115.09 2frc h THR 102 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2frc h THR 102 Cb 0.00 0.01 -0.14 0.00 -1.73 0.00 0.00 68.15 66.29 2frc h THR 102 CO 0.00 0.00 -0.20 -1.13 -0.25 0.00 0.00 175.52 173.94 2frc h ASN 103 N -0.01 -0.75 0.00 5.36 -0.73 -1.41 -3.45 115.58 114.59 2frc h ASN 103 Ca 0.37 0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.76 2frc h ASN 103 Cb 0.62 0.47 0.00 0.00 0.27 0.00 0.00 38.32 39.68 2frc h ASN 103 CO -0.99 -0.25 0.00 1.21 -0.37 0.00 0.00 177.43 177.03