#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m s SER 2 N 0.00 0.78 -0.12 1.61 0.15 -1.26 -5.18 113.70 109.68 1x4m s SER 2 Ca 0.00 -1.43 -0.31 0.00 0.70 0.00 0.00 55.95 54.91 1x4m s SER 2 Cb 0.00 0.60 0.12 0.00 -1.71 0.00 0.00 66.02 65.03 1x4m s SER 2 CO 0.00 -1.18 1.03 -0.55 1.20 0.00 0.00 173.24 173.74 1x4m s SER 3 N -3.22 -0.29 0.00 5.45 0.15 -1.26 -5.15 113.70 109.39 1x4m s SER 3 Ca 0.32 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1x4m s SER 3 Cb 0.01 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1x4m s SER 3 CO 0.19 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1x4m n GLY 4 N 0.14 2.04 3.24 9.45 0.00 -1.26 -5.01 105.19 113.79 1x4m n GLY 4 Ca -0.06 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1x4m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4m n SER 5 N 0.00 -5.77 -4.42 1.61 7.64 -1.26 -4.97 113.62 106.45 1x4m n SER 5 Ca 0.00 -0.38 -0.35 0.00 1.01 0.00 0.00 58.87 59.14 1x4m n SER 5 Cb 0.00 -4.64 -0.13 0.00 -1.01 0.00 0.00 64.21 58.43 1x4m n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4m s SER 6 N -2.86 4.82 0.00 6.43 0.01 -1.26 -5.01 113.70 115.83 1x4m s SER 6 Ca 0.40 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1x4m s SER 6 Cb -0.18 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1x4m s SER 6 CO 0.49 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1x4m n GLY 7 N 4.58 3.64 3.28 3.44 0.00 -1.26 -5.16 105.19 113.71 1x4m n GLY 7 Ca -0.17 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 1x4m n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x4m s HIS 8 N -1.53 1.53 -1.18 1.61 5.65 -1.26 -5.08 115.29 115.03 1x4m s HIS 8 Ca 0.00 -1.47 -0.06 0.00 0.25 0.00 0.00 55.06 53.78 1x4m s HIS 8 Cb 0.00 -0.73 0.24 0.00 -1.18 0.00 0.00 32.58 30.91 1x4m s HIS 8 CO 0.00 -0.67 1.72 0.41 -0.65 0.00 0.00 174.74 175.56 1x4m n GLY 9 N -0.51 5.08 2.59 1.59 0.00 -1.26 -5.01 105.19 107.68 1x4m n GLY 9 Ca 0.03 -2.39 -0.45 0.00 0.00 0.00 0.00 46.02 43.21 1x4m n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4m n ASP 10 N 2.31 0.34 0.00 1.61 9.92 -1.26 -4.87 116.55 124.59 1x4m n ASP 10 Ca 0.35 0.84 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 1x4m n ASP 10 Cb 0.33 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1x4m n ASP 10 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4m n GLY 11 N 1.79 -0.62 0.00 0.44 0.00 -1.26 -4.93 105.19 100.61 1x4m n GLY 11 Ca 0.18 0.75 0.08 0.00 0.00 0.00 0.00 46.02 47.02 1x4m n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 12 N 0.00 0.41 -0.00 1.61 -0.04 -1.26 -4.95 135.00 130.77 1x4m n PRO 12 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x4m n PRO 12 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1x4m n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4m n GLY 13 N -0.03 0.68 3.63 0.55 0.00 -1.26 -5.08 105.19 103.69 1x4m n GLY 13 Ca 0.10 -1.56 -0.62 0.00 0.00 0.00 0.00 46.02 43.95 1x4m n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4m n ASN 14 N 0.00 1.59 -4.81 1.61 3.02 -1.26 -4.63 115.26 110.77 1x4m n ASN 14 Ca 0.00 1.01 -0.38 0.00 -0.03 0.00 0.00 54.58 55.18 1x4m n ASN 14 Cb 0.00 -1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 38.11 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4m s ALA 15 N 4.02 3.62 -0.05 5.41 0.00 -0.23 -4.86 121.76 129.67 1x4m s ALA 15 Ca 1.06 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1x4m s ALA 15 Cb -1.31 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 19.29 1x4m s ALA 15 CO 0.72 0.38 -0.08 0.54 0.00 0.00 0.00 175.76 177.32 1x4m s VAL 16 N -0.85 0.77 0.05 0.00 0.11 -1.26 -0.14 120.40 119.09 1x4m s VAL 16 Ca 0.26 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 1x4m s VAL 16 Cb -0.18 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1x4m s VAL 16 CO 0.15 0.27 -0.20 -1.58 -3.33 0.00 0.00 175.10 170.41 1x4m s GLN 17 N 0.69 1.31 -0.07 1.54 2.00 -0.34 -4.95 119.66 119.84 1x4m s GLN 17 Ca -0.11 -0.97 0.03 0.00 -2.00 0.00 0.00 55.36 52.31 1x4m s GLN 17 Cb -0.14 -1.44 -0.02 0.00 0.80 0.00 0.00 33.01 32.21 1x4m s GLN 17 CO 0.01 0.36 -0.16 -1.21 -0.50 0.00 0.00 175.29 173.80 1x4m s GLU 18 N -1.30 2.76 -0.01 1.67 2.02 -1.26 -0.25 118.70 122.33 1x4m s GLU 18 Ca 0.07 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1x4m s GLU 18 Cb -0.09 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1x4m s GLU 18 CO 0.02 0.46 0.01 0.96 0.02 0.00 0.00 175.26 176.73 1x4m s ILE 19 N -0.31 -0.01 -0.12 -1.63 -0.00 -0.31 -4.94 121.20 113.87 1x4m s ILE 19 Ca 0.02 0.11 -0.30 0.00 -0.00 0.00 0.00 60.65 60.49 1x4m s ILE 19 Cb -0.13 -0.06 -0.02 0.00 -0.00 0.00 0.00 42.46 42.25 1x4m s ILE 19 CO 0.03 0.05 1.20 0.00 -0.00 0.00 0.00 174.94 176.22 1x4m s MET 20 N 0.59 4.30 -0.13 0.37 0.23 -1.26 -0.23 119.30 123.17 1x4m s MET 20 Ca -0.05 1.63 -0.00 0.00 -1.03 0.00 0.00 55.69 56.24 1x4m s MET 20 Cb -0.07 -3.65 -0.02 0.00 -1.53 0.00 0.00 34.83 29.56 1x4m s MET 20 CO -0.02 -0.56 -0.13 0.42 -2.03 0.00 0.00 175.02 172.70 1x4m s ILE 21 N 2.81 3.05 -0.00 3.16 -1.09 -0.18 -4.92 121.20 124.04 1x4m s ILE 21 Ca 0.54 -0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 57.99 1x4m s ILE 21 Cb -0.22 -2.28 -0.06 0.00 -1.58 0.00 0.00 42.46 38.32 1x4m s ILE 21 CO 0.17 0.53 1.45 -2.16 -1.23 0.00 0.00 174.94 173.70 1x4m s PRO 22 N 0.33 4.26 0.65 2.79 0.04 -1.26 -0.18 135.00 141.63 1x4m s PRO 22 Ca -0.11 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.18 1x4m s PRO 22 Cb -0.16 -3.61 1.17 0.00 0.04 0.00 0.00 34.50 31.94 1x4m s PRO 22 CO 0.06 -0.62 1.66 0.00 0.04 0.00 0.00 177.00 178.13 1x4m h ALA 23 N 8.03 1.70 -0.22 8.56 0.00 -1.92 0.50 119.26 135.91 1x4m h ALA 23 Ca -0.38 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1x4m h ALA 23 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x4m h ALA 23 CO 0.91 -0.63 -0.57 0.77 0.00 0.00 0.00 179.25 179.74 1x4m h SER 24 N 0.00 0.88 0.12 0.00 0.02 -1.90 -3.21 113.55 109.45 1x4m h SER 24 Ca 0.06 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1x4m h SER 24 Cb 1.19 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1x4m h SER 24 CO -0.00 1.29 -0.65 0.29 -1.14 0.00 0.00 176.83 176.62 1x4m n LYS 25 N -4.06 0.49 0.16 3.45 4.76 0.13 -4.16 118.16 118.92 1x4m n LYS 25 Ca -0.06 -0.38 0.11 0.00 -2.87 0.00 0.00 58.31 55.12 1x4m n LYS 25 Cb 0.64 -1.49 0.58 0.00 -1.84 0.00 0.00 35.03 32.91 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m n ALA 26 N -0.93 1.09 0.93 7.82 0.00 0.11 -0.54 120.51 128.99 1x4m n ALA 26 Ca 0.07 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1x4m n ALA 26 Cb 0.38 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.61 1x4m n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 27 N -1.20 0.97 0.14 0.00 0.00 -1.26 -3.62 105.19 100.22 1x4m n GLY 27 Ca -0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 1x4m n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4m n LEU 28 N 1.32 2.75 0.13 0.99 4.32 0.29 -3.39 117.00 123.41 1x4m n LEU 28 Ca 0.14 -0.05 0.12 0.00 -0.02 0.00 0.00 56.01 56.20 1x4m n LEU 28 Cb 0.58 -0.72 0.24 0.00 -1.62 0.00 0.00 43.42 41.91 1x4m n LEU 28 CO 0.15 0.79 0.67 1.62 -1.22 0.00 0.00 177.39 179.39 1x4m h VAL 29 N -0.13 0.00 0.03 4.08 3.04 -1.68 -3.34 116.25 118.25 1x4m h VAL 29 Ca -0.48 -0.70 -0.39 0.00 -1.01 0.00 0.00 66.70 64.12 1x4m h VAL 29 Cb 1.68 1.56 -0.06 0.00 -2.01 0.00 0.00 31.29 32.47 1x4m h VAL 29 CO -0.12 0.00 -2.36 -0.38 -1.01 0.00 0.00 177.57 173.70 1x4m n ILE 30 N -2.54 1.56 -0.74 3.17 5.41 -1.24 -0.49 119.36 124.49 1x4m n ILE 30 Ca 0.04 -0.57 0.10 0.00 1.00 0.00 0.00 62.75 63.32 1x4m n ILE 30 Cb 0.48 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.86 1x4m n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4m n GLY 31 N 2.14 -1.65 3.61 7.39 0.00 -1.22 -0.56 105.19 114.91 1x4m n GLY 31 Ca -0.43 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1x4m n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4m s LYS 32 N -1.71 3.43 -1.23 1.61 2.36 -1.26 -2.77 119.74 120.17 1x4m s LYS 32 Ca 0.00 1.98 -0.02 0.00 -2.55 0.00 0.00 55.97 55.37 1x4m s LYS 32 Cb 0.00 -4.26 -0.01 0.00 -1.05 0.00 0.00 37.83 32.51 1x4m s LYS 32 CO 0.00 -1.76 0.82 0.41 1.55 0.00 0.00 175.35 176.38 1x4m n GLY 33 N 5.34 -0.47 3.73 5.54 0.00 -1.26 -3.01 105.19 115.05 1x4m n GLY 33 Ca 0.25 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1x4m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4m n GLY 34 N -1.40 -0.98 0.12 -0.02 0.00 -1.11 -4.93 105.19 96.86 1x4m n GLY 34 Ca -0.25 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1x4m n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4m n GLU 35 N -4.27 0.60 0.07 1.61 0.00 0.28 -4.04 120.64 114.90 1x4m n GLU 35 Ca -0.09 0.44 -0.04 0.00 0.00 0.00 0.00 57.16 57.47 1x4m n GLU 35 Cb 0.59 -1.67 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1x4m h THR 36 N -0.81 0.00 -0.98 6.31 2.02 -1.73 -3.29 112.91 114.42 1x4m h THR 36 Ca -0.46 -0.31 0.39 0.00 0.77 0.00 0.00 66.41 66.80 1x4m h THR 36 Cb 1.50 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.74 1x4m h THR 36 CO -0.22 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.11 1x4m n ILE 37 N -3.47 -0.41 -0.25 3.11 3.06 0.35 0.12 119.36 121.87 1x4m n ILE 37 Ca -0.03 2.02 0.04 0.00 -2.50 0.00 0.00 62.75 62.28 1x4m n ILE 37 Cb 0.09 -3.22 0.17 0.00 0.54 0.00 0.00 39.64 37.21 1x4m n ILE 37 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1x4m h LYS 38 N 0.00 0.45 -0.05 9.51 3.64 -1.70 0.79 116.57 129.21 1x4m h LYS 38 Ca 0.79 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 60.06 1x4m h LYS 38 Cb 2.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1x4m h LYS 38 CO -0.78 0.30 -0.37 1.96 -2.27 0.00 0.00 179.45 178.28 1x4m h GLN 39 N 0.46 0.09 0.00 1.90 1.08 0.91 -2.26 115.11 117.30 1x4m h GLN 39 Ca 0.39 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1x4m h GLN 39 Cb 0.55 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1x4m h GLN 39 CO -0.37 0.46 0.00 1.28 -0.95 0.00 0.00 178.83 179.25 1x4m n LEU 40 N -4.08 0.60 0.18 1.46 4.77 0.24 -1.49 117.00 118.69 1x4m n LEU 40 Ca -0.02 0.69 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 1x4m n LEU 40 Cb 0.43 -0.67 0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1x4m n LEU 40 CO 0.40 -0.70 0.60 1.56 -1.33 0.00 0.00 177.39 177.93 1x4m h GLN 41 N 0.00 0.00 0.01 3.23 4.20 -1.10 -3.05 115.11 118.40 1x4m h GLN 41 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1x4m h GLN 41 Cb 0.22 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1x4m h GLN 41 CO 0.00 0.11 -2.22 -0.85 -0.67 0.00 0.00 178.83 175.20 1x4m n GLU 42 N -3.06 0.68 -0.14 1.46 0.28 -0.55 -2.17 120.64 117.12 1x4m n GLU 42 Ca 0.03 0.11 -0.11 0.00 -0.16 0.00 0.00 57.16 57.02 1x4m n GLU 42 Cb 0.58 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 31.85 1x4m n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4m h ARG 43 N 0.01 0.86 0.02 3.44 3.08 -1.48 -3.26 114.38 117.05 1x4m h ARG 43 Ca -0.49 -0.35 -0.31 0.00 0.07 0.00 0.00 59.98 58.90 1x4m h ARG 43 Cb 2.12 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 32.09 1x4m h ARG 43 CO 0.03 0.99 -1.81 0.00 -1.07 0.00 0.00 179.97 178.11 1x4m n ALA 44 N -2.48 1.39 -0.26 0.04 0.00 -1.15 -4.99 120.51 113.06 1x4m n ALA 44 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1x4m n ALA 44 Cb 0.41 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1x4m n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 45 N 1.65 0.84 3.46 0.00 0.00 -1.01 -4.88 105.19 105.25 1x4m n GLY 45 Ca -0.21 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1x4m n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x4m s VAL 46 N -2.00 1.48 -0.18 1.61 -7.23 -0.92 -4.80 120.40 108.35 1x4m s VAL 46 Ca 0.00 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 1x4m s VAL 46 Cb 0.00 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1x4m s VAL 46 CO 0.00 -0.14 0.19 -0.75 -0.31 0.00 0.00 175.10 174.09 1x4m s LYS 47 N -3.80 4.18 -0.23 4.82 2.20 0.12 -4.13 119.74 122.90 1x4m s LYS 47 Ca 0.33 -0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1x4m s LYS 47 Cb 0.07 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1x4m s LYS 47 CO 0.14 0.30 0.00 -1.64 -0.36 0.00 0.00 175.35 173.79 1x4m s MET 48 N 0.33 3.51 -0.20 4.03 -1.94 -1.26 -0.59 119.30 123.18 1x4m s MET 48 Ca 0.11 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1x4m s MET 48 Cb -0.12 -3.13 0.06 0.00 2.01 0.00 0.00 34.83 33.65 1x4m s MET 48 CO 0.00 -0.16 0.00 0.08 -0.01 0.00 0.00 175.02 174.94 1x4m s VAL 49 N 1.44 0.88 -0.11 -6.03 1.01 0.14 -4.98 120.40 112.75 1x4m s VAL 49 Ca 0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1x4m s VAL 49 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1x4m s VAL 49 CO 0.00 -0.15 1.30 -0.04 0.00 0.00 0.00 175.10 176.21 1x4m s MET 50 N 1.70 4.26 0.33 2.72 -1.94 -1.26 -0.45 119.30 124.65 1x4m s MET 50 Ca -0.02 1.75 -0.10 0.00 -1.71 0.00 0.00 55.69 55.61 1x4m s MET 50 Cb -0.17 -3.72 -0.07 0.00 2.01 0.00 0.00 34.83 32.88 1x4m s MET 50 CO -0.07 -0.64 0.68 0.42 -0.01 0.00 0.00 175.02 175.39 1x4m s ILE 51 N 3.12 4.84 -0.51 2.53 -1.09 0.18 -4.91 121.20 125.36 1x4m s ILE 51 Ca 0.58 0.54 0.06 0.00 -2.23 0.00 0.00 60.65 59.60 1x4m s ILE 51 Cb -0.25 -3.69 0.23 0.00 -1.58 0.00 0.00 42.46 37.18 1x4m s ILE 51 CO 0.19 -0.33 0.56 1.67 -1.23 0.00 0.00 174.94 175.81 1x4m n GLN 52 N -0.82 1.35 -4.85 2.79 7.27 -1.26 -4.00 117.38 117.85 1x4m n GLN 52 Ca 0.01 -3.83 -0.33 0.00 0.07 0.00 0.00 57.00 52.92 1x4m n GLN 52 Cb 0.53 -1.75 -0.15 0.00 2.41 0.00 0.00 30.24 31.29 1x4m n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1x4m s ASP 53 N -1.44 3.89 0.00 1.69 -1.08 -1.26 -5.03 116.67 113.44 1x4m s ASP 53 Ca 0.35 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1x4m s ASP 53 Cb 0.12 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.10 1x4m s ASP 53 CO -0.10 0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.39 1x4m n GLY 54 N 3.36 0.63 3.75 2.66 0.00 -1.26 -4.93 105.19 109.40 1x4m n GLY 54 Ca -0.18 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 1x4m n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 55 N -1.02 1.84 1.03 1.61 0.04 -1.26 -4.99 135.00 132.25 1x4m s PRO 55 Ca 0.00 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 1x4m s PRO 55 Cb 0.00 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1x4m s PRO 55 CO 0.00 -1.89 -0.96 0.00 0.04 0.00 0.00 177.00 174.18 1x4m n GLN 56 N -3.67 -0.46 -1.17 4.56 10.64 -1.26 -4.68 117.38 121.33 1x4m n GLN 56 Ca 0.08 -0.13 -0.32 0.00 -1.83 0.00 0.00 57.00 54.80 1x4m n GLN 56 Cb 0.54 -1.23 -0.05 0.00 -0.86 0.00 0.00 30.24 28.64 1x4m n GLN 56 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1x4m n ASN 57 N 1.85 7.63 -1.82 2.61 2.85 -1.26 -4.59 115.26 122.54 1x4m n ASN 57 Ca -0.01 -2.51 -0.16 0.00 -0.11 0.00 0.00 54.58 51.79 1x4m n ASN 57 Cb 0.69 -1.45 0.08 0.00 1.24 0.00 0.00 39.78 40.34 1x4m n ASN 57 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1x4m n THR 58 N 3.52 2.54 -1.57 -0.44 5.66 -1.26 -4.85 114.28 117.88 1x4m n THR 58 Ca 0.68 -1.42 -0.00 0.00 -3.05 0.00 0.00 64.05 60.26 1x4m n THR 58 Cb 0.31 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 1x4m n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x4m n GLY 59 N -0.25 -0.81 3.47 1.09 0.00 -1.26 -5.12 105.19 102.32 1x4m n GLY 59 Ca 0.35 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m s ALA 60 N -1.04 0.46 0.51 4.61 0.00 -1.26 -5.03 121.76 120.02 1x4m s ALA 60 Ca 0.01 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1x4m s ALA 60 Cb -0.00 1.17 -0.06 0.00 0.00 0.00 0.00 23.12 24.23 1x4m s ALA 60 CO 0.04 -0.78 1.22 0.16 0.00 0.00 0.00 175.76 176.40 1x4m s ASP 61 N -3.14 5.72 -0.19 0.00 1.47 -1.26 -3.61 116.67 115.65 1x4m s ASP 61 Ca 0.29 2.43 0.01 0.00 1.18 0.00 0.00 52.55 56.46 1x4m s ASP 61 Cb 0.01 -2.61 0.04 0.00 -0.34 0.00 0.00 42.92 40.02 1x4m s ASP 61 CO 0.14 -1.24 -0.13 -0.54 0.68 0.00 0.00 175.17 174.09 1x4m s LYS 62 N -2.92 2.25 -0.26 2.11 -0.14 0.75 -4.91 119.74 116.62 1x4m s LYS 62 Ca 0.69 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 54.17 1x4m s LYS 62 Cb -0.31 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 1x4m s LYS 62 CO 0.37 -0.37 1.64 -1.25 -0.76 0.00 0.00 175.35 174.98 1x4m s PRO 63 N 1.37 3.68 -0.15 -1.68 0.04 -1.26 -1.01 135.00 135.99 1x4m s PRO 63 Ca 0.00 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1x4m s PRO 63 Cb -0.15 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1x4m s PRO 63 CO -0.09 -1.43 0.39 -1.17 0.04 0.00 0.00 177.00 174.74 1x4m s LEU 64 N 5.58 4.23 -0.31 -3.56 2.96 0.68 -0.65 118.68 127.62 1x4m s LEU 64 Ca 0.72 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 55.17 1x4m s LEU 64 Cb -0.23 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 1x4m s LEU 64 CO 0.30 0.02 0.14 -0.60 -1.32 0.00 0.00 176.35 174.89 1x4m s ARG 65 N 0.74 3.30 -0.38 1.98 3.52 0.40 -1.17 118.95 127.34 1x4m s ARG 65 Ca 0.21 -0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1x4m s ARG 65 Cb -0.14 -3.54 0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1x4m s ARG 65 CO 0.07 -0.42 0.20 0.42 -0.81 0.00 0.00 175.30 174.77 1x4m s ILE 66 N 1.60 4.19 0.17 4.11 1.01 0.65 -0.69 121.20 132.24 1x4m s ILE 66 Ca 0.04 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.51 1x4m s ILE 66 Cb -0.17 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1x4m s ILE 66 CO 0.06 -0.35 0.33 0.42 0.00 0.00 0.00 174.94 175.40 1x4m s THR 67 N 1.45 5.27 0.00 2.92 -4.23 0.24 -1.20 115.64 120.10 1x4m s THR 67 Ca 0.01 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1x4m s THR 67 Cb -0.21 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1x4m s THR 67 CO 0.03 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1x4m n GLY 68 N -0.56 -0.31 3.70 3.99 0.00 0.80 0.12 105.19 112.93 1x4m n GLY 68 Ca -0.06 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1x4m n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 69 N -4.00 4.92 0.31 1.61 1.11 -1.26 -1.07 116.67 118.28 1x4m s ASP 69 Ca 0.00 -0.40 0.10 0.00 0.18 0.00 0.00 52.55 52.43 1x4m s ASP 69 Cb 0.00 -1.08 0.50 0.00 1.07 0.00 0.00 42.92 43.41 1x4m s ASP 69 CO 0.00 0.05 1.71 1.55 1.18 0.00 0.00 175.17 179.65 1x4m h PRO 70 N 2.30 0.08 0.00 8.23 0.13 -1.86 0.47 132.00 141.35 1x4m h PRO 70 Ca -0.47 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1x4m h PRO 70 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x4m h PRO 70 CO 0.60 0.54 -1.42 0.98 -0.23 0.00 0.00 178.00 178.47 1x4m n TYR 71 N -3.97 0.60 -0.11 1.56 4.19 -1.26 -4.29 117.16 113.88 1x4m n TYR 71 Ca -0.02 0.18 -0.21 0.00 3.31 0.00 0.00 57.90 61.16 1x4m n TYR 71 Cb 0.51 -0.81 -0.10 0.00 0.49 0.00 0.00 39.34 39.43 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1x4m n LYS 72 N -2.54 0.55 -0.01 2.98 5.02 -1.16 -4.10 118.16 118.89 1x4m n LYS 72 Ca -0.03 0.52 0.21 0.00 -2.02 0.00 0.00 58.31 56.99 1x4m n LYS 72 Cb 0.59 -1.70 0.46 0.00 -0.02 0.00 0.00 35.03 34.36 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m h VAL 73 N -1.00 0.08 0.11 -0.18 2.07 -0.28 1.41 116.25 118.46 1x4m h VAL 73 Ca -0.35 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.89 1x4m h VAL 73 Cb 1.25 0.19 0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1x4m h VAL 73 CO -0.21 0.00 -1.20 1.56 0.02 0.00 0.00 177.57 177.73 1x4m h GLN 74 N 0.00 0.44 0.27 1.57 4.20 -1.75 -2.89 115.11 116.95 1x4m h GLN 74 Ca 0.30 -0.62 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1x4m h GLN 74 Cb 2.20 0.21 0.00 0.00 0.30 0.00 0.00 27.48 30.19 1x4m h GLN 74 CO -0.00 1.27 -0.13 1.96 -0.67 0.00 0.00 178.83 181.25 1x4m h GLN 75 N 0.18 -0.35 -0.91 1.46 1.08 0.18 -2.94 115.11 113.80 1x4m h GLN 75 Ca -0.15 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1x4m h GLN 75 Cb 1.89 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 29.34 1x4m h GLN 75 CO 0.21 -0.06 0.57 0.00 -0.95 0.00 0.00 178.83 178.60 1x4m h ALA 76 N -0.00 1.24 -0.59 3.87 0.00 -1.60 -2.17 119.26 120.01 1x4m h ALA 76 Ca -0.04 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1x4m h ALA 76 Cb 0.45 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1x4m h ALA 76 CO 0.06 0.35 0.13 -0.22 0.00 0.00 0.00 179.25 179.57 1x4m h LYS 77 N 1.05 0.26 -0.60 0.00 3.64 -1.45 -0.63 116.57 118.85 1x4m h LYS 77 Ca 0.39 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1x4m h LYS 77 Cb 0.15 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1x4m h LYS 77 CO -0.17 0.17 0.25 0.93 -2.27 0.00 0.00 179.45 178.36 1x4m h GLU 78 N 0.27 0.88 -0.29 1.90 4.39 -1.22 0.72 114.58 121.22 1x4m h GLU 78 Ca 0.31 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1x4m h GLU 78 Cb 0.44 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1x4m h GLU 78 CO -0.39 0.74 0.11 0.52 -1.16 0.00 0.00 179.01 178.84 1x4m h MET 79 N 0.82 0.23 -0.08 2.33 2.86 -0.85 0.35 114.93 120.60 1x4m h MET 79 Ca 0.20 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1x4m h MET 79 Cb 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1x4m h MET 79 CO -0.02 0.15 -0.03 0.28 1.06 0.00 0.00 176.91 178.35 1x4m h VAL 80 N 0.24 1.32 -0.77 -2.22 2.07 -0.99 -1.43 116.25 114.47 1x4m h VAL 80 Ca 0.13 -1.02 0.11 0.00 0.82 0.00 0.00 66.70 66.74 1x4m h VAL 80 Cb 0.09 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1x4m h VAL 80 CO -0.13 0.28 0.50 -0.07 0.02 0.00 0.00 177.57 178.18 1x4m h LEU 81 N -0.20 0.55 -0.13 2.57 3.38 -0.68 0.61 115.31 121.41 1x4m h LEU 81 Ca 0.02 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1x4m h LEU 81 Cb 0.47 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1x4m h LEU 81 CO 0.01 0.31 -0.55 -0.08 0.09 0.00 0.00 178.44 178.23 1x4m h GLU 82 N 0.61 0.00 -0.27 1.13 4.81 -0.82 -2.86 114.58 117.18 1x4m h GLU 82 Ca 0.36 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1x4m h GLU 82 Cb 0.59 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1x4m h GLU 82 CO -0.14 0.55 -0.11 1.25 -0.73 0.00 0.00 179.01 179.83 1x4m h LEU 83 N 0.00 0.42 0.00 1.64 7.12 0.25 -2.64 115.31 122.10 1x4m h LEU 83 Ca -0.01 -0.10 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 1x4m h LEU 83 Cb 1.37 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1x4m h LEU 83 CO 0.07 0.57 -0.97 0.16 -0.13 0.00 0.00 178.44 178.14 1x4m h ILE 84 N 0.41 0.20 -2.15 4.05 3.07 -1.49 -3.44 117.51 118.16 1x4m h ILE 84 Ca 0.08 -1.37 -0.52 0.00 1.55 0.00 0.00 64.86 64.60 1x4m h ILE 84 Cb 0.44 1.77 -0.07 0.00 -0.27 0.00 0.00 36.82 38.70 1x4m h ILE 84 CO 0.02 0.11 1.17 -0.13 -1.05 0.00 0.00 178.15 178.28 1x4m s ARG 85 N -3.19 3.01 -0.62 0.16 0.52 -1.00 -4.91 118.95 112.91 1x4m s ARG 85 Ca -0.00 0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.26 1x4m s ARG 85 Cb 0.09 -4.31 0.16 0.00 0.52 0.00 0.00 34.95 31.41 1x4m s ARG 85 CO 0.78 -2.37 0.43 0.34 0.02 0.00 0.00 175.30 174.50 1x4m s ASP 86 N 5.31 4.18 -0.14 0.23 2.15 -1.26 -4.93 116.67 122.21 1x4m s ASP 86 Ca 0.47 -3.58 -0.12 0.00 0.43 0.00 0.00 52.55 49.75 1x4m s ASP 86 Cb -0.09 -1.41 0.04 0.00 -0.30 0.00 0.00 42.92 41.16 1x4m s ASP 86 CO 0.16 -0.12 0.37 0.00 -0.17 0.00 0.00 175.17 175.41 1x4m s GLN 87 N -1.00 0.42 0.99 4.34 -2.07 -1.26 -5.13 119.66 115.96 1x4m s GLN 87 Ca 0.25 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.35 1x4m s GLN 87 Cb -0.07 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 1x4m s GLN 87 CO -0.14 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 1x4m n GLY 88 N 3.16 -1.61 2.83 2.60 0.00 -1.26 -4.92 105.19 105.99 1x4m n GLY 88 Ca -0.15 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1x4m n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4m s SER 89 N -4.93 0.08 0.63 1.61 0.15 -1.26 -5.16 113.70 104.81 1x4m s SER 89 Ca 0.00 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 1x4m s SER 89 Cb 0.00 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1x4m s SER 89 CO 0.00 -0.06 0.93 -0.83 1.20 0.00 0.00 173.24 174.48 1x4m s GLY 90 N 0.49 1.65 -0.95 9.45 0.00 -1.26 -4.96 107.32 111.74 1x4m s GLY 90 Ca -0.04 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.59 1x4m s GLY 90 CO -0.01 -0.52 1.94 2.56 0.00 0.00 0.00 173.10 177.07 1x4m s PRO 91 N -5.05 2.55 0.02 2.90 0.04 -1.26 -4.94 135.00 129.25 1x4m s PRO 91 Ca 0.56 -0.45 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1x4m s PRO 91 Cb -0.11 -5.10 -0.06 0.00 0.04 0.00 0.00 34.50 29.28 1x4m s PRO 91 CO 0.44 -3.49 1.40 -1.12 0.04 0.00 0.00 177.00 174.27 1x4m s SER 92 N 7.75 6.85 0.34 6.66 0.01 -1.26 -4.99 113.70 129.05 1x4m s SER 92 Ca 0.70 2.14 -0.27 0.00 1.31 0.00 0.00 55.95 59.83 1x4m s SER 92 Cb -0.06 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 1x4m s SER 92 CO 0.02 -0.70 1.04 -0.94 0.41 0.00 0.00 173.24 173.07 1x4m s SER 93 N 1.77 7.08 0.00 2.44 1.04 -1.26 -5.32 113.70 119.44 1x4m s SER 93 Ca 0.64 2.08 0.00 0.00 0.48 0.00 0.00 55.95 59.15 1x4m s SER 93 Cb -0.32 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.20 1x4m s SER 93 CO 0.27 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.83