#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 4.71 -0.34 1.61 0.15 -1.26 -5.10 113.70 113.47 1x4m s SER 2 Ca 0.00 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.16 1x4m s SER 2 Cb 0.00 -1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 63.29 1x4m s SER 2 CO 0.00 0.14 0.34 -0.55 1.20 0.00 0.00 173.24 174.36 1x4m s SER 3 N -2.57 6.16 -0.56 5.45 0.15 -1.26 -5.03 113.70 116.05 1x4m s SER 3 Ca 0.25 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.68 1x4m s SER 3 Cb -0.10 -2.19 0.14 0.00 -1.71 0.00 0.00 66.02 62.16 1x4m s SER 3 CO 0.17 -0.31 0.32 -0.83 1.20 0.00 0.00 173.24 173.80 1x4m s GLY 4 N 1.73 2.46 -0.11 9.45 0.00 -1.26 -5.08 107.32 114.51 1x4m s GLY 4 Ca 0.11 -3.26 -0.16 0.00 0.00 0.00 0.00 44.72 41.42 1x4m s GLY 4 CO 0.11 1.04 0.39 -1.35 0.00 0.00 0.00 173.10 173.30 1x4m s SER 5 N 0.11 6.61 -0.11 1.64 1.04 -1.26 -5.06 113.70 116.67 1x4m s SER 5 Ca 0.17 0.72 -0.30 0.00 0.48 0.00 0.00 55.95 57.02 1x4m s SER 5 Cb -0.24 -2.24 0.10 0.00 0.10 0.00 0.00 66.02 63.75 1x4m s SER 5 CO -0.02 0.11 0.87 -0.94 0.98 0.00 0.00 173.24 174.25 1x4m s SER 6 N 0.20 -0.48 -0.40 7.02 1.04 -1.26 -5.13 113.70 114.69 1x4m s SER 6 Ca 0.22 0.49 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1x4m s SER 6 Cb -0.15 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.56 1x4m s SER 6 CO 0.08 -0.46 0.81 -0.83 0.98 0.00 0.00 173.24 173.82 1x4m s GLY 7 N -1.22 -1.41 0.33 7.32 0.00 -1.26 -5.16 107.32 105.92 1x4m s GLY 7 Ca -0.05 0.42 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 1x4m s GLY 7 CO 0.04 3.90 0.54 -2.38 0.00 0.00 0.00 173.10 175.20 1x4m s HIS 8 N 1.61 3.50 -0.43 1.90 0.00 -1.26 -5.07 115.29 115.54 1x4m s HIS 8 Ca 0.19 0.40 -0.15 0.00 -3.00 0.00 0.00 55.06 52.50 1x4m s HIS 8 Cb 0.00 -1.93 0.04 0.00 -4.00 0.00 0.00 32.58 26.70 1x4m s HIS 8 CO -0.09 0.14 0.33 0.20 -1.00 0.00 0.00 174.74 174.32 1x4m s GLY 9 N -3.85 2.02 0.13 -1.38 0.00 -1.26 -5.05 107.32 97.94 1x4m s GLY 9 Ca 0.41 -1.88 -0.31 0.00 0.00 0.00 0.00 44.72 42.94 1x4m s GLY 9 CO 0.35 0.96 1.70 0.99 0.00 0.00 0.00 173.10 177.10 1x4m s ASP 10 N 2.02 6.51 -0.19 1.64 1.01 -1.26 -4.02 116.67 122.37 1x4m s ASP 10 Ca 0.04 2.67 -0.05 0.00 0.71 0.00 0.00 52.55 55.92 1x4m s ASP 10 Cb -0.21 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.15 1x4m s ASP 10 CO 0.08 -0.92 0.19 0.61 0.21 0.00 0.00 175.17 175.34 1x4m n GLY 11 N 4.01 -1.96 3.73 0.21 0.00 -1.26 -5.02 105.19 104.90 1x4m n GLY 11 Ca 0.16 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 1x4m n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 12 N -1.43 1.49 0.00 1.61 0.04 -1.26 -4.94 135.00 130.51 1x4m s PRO 12 Ca 0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1x4m s PRO 12 Cb -0.02 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1x4m s PRO 12 CO 0.38 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1x4m n GLY 13 N -1.15 0.71 3.45 0.56 0.00 -1.26 -5.04 105.19 102.47 1x4m n GLY 13 Ca 0.07 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1x4m n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4m s ASN 14 N -4.00 5.08 0.26 1.61 0.01 -1.26 -4.88 114.94 111.75 1x4m s ASN 14 Ca 0.00 -0.19 -0.18 0.00 -0.71 0.00 0.00 52.86 51.77 1x4m s ASN 14 Cb 0.00 -1.90 -0.09 0.00 0.41 0.00 0.00 41.25 39.67 1x4m s ASN 14 CO 0.00 -0.00 0.73 0.00 -1.51 0.00 0.00 177.10 176.32 1x4m s ALA 15 N 1.42 3.38 -0.02 0.60 0.00 -0.76 -4.84 121.76 121.53 1x4m s ALA 15 Ca 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1x4m s ALA 15 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1x4m s ALA 15 CO 0.03 0.32 0.07 0.54 0.00 0.00 0.00 175.76 176.72 1x4m s VAL 16 N -1.68 0.01 -0.02 0.00 0.11 -1.26 0.06 120.40 117.63 1x4m s VAL 16 Ca 0.47 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1x4m s VAL 16 Cb -0.15 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1x4m s VAL 16 CO 0.20 -0.05 -0.00 -1.10 -3.33 0.00 0.00 175.10 170.81 1x4m s GLN 17 N -0.14 0.18 -0.13 1.54 -1.52 -0.08 -4.96 119.66 114.56 1x4m s GLN 17 Ca -0.02 0.03 -0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1x4m s GLN 17 Cb -0.02 -0.30 -0.03 0.00 -0.22 0.00 0.00 33.01 32.45 1x4m s GLN 17 CO 0.00 -0.06 -0.02 -1.21 -0.25 0.00 0.00 175.29 173.75 1x4m s GLU 18 N 0.57 3.44 -0.00 2.91 2.02 -1.26 -0.21 118.70 126.17 1x4m s GLU 18 Ca -0.05 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1x4m s GLU 18 Cb -0.08 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 1x4m s GLU 18 CO -0.01 0.41 -0.03 0.96 0.02 0.00 0.00 175.26 176.61 1x4m s ILE 19 N -0.08 0.20 0.06 -1.63 -0.00 -0.32 -4.94 121.20 114.49 1x4m s ILE 19 Ca 0.03 -0.14 -0.30 0.00 -0.00 0.00 0.00 60.65 60.23 1x4m s ILE 19 Cb -0.13 -0.18 -0.05 0.00 -0.00 0.00 0.00 42.46 42.10 1x4m s ILE 19 CO 0.02 0.04 1.10 0.00 -0.00 0.00 0.00 174.94 176.10 1x4m s MET 20 N -0.12 4.51 -0.09 0.37 0.23 -1.26 -0.24 119.30 122.70 1x4m s MET 20 Ca 0.00 1.63 0.03 0.00 -1.03 0.00 0.00 55.69 56.32 1x4m s MET 20 Cb -0.01 -3.38 0.01 0.00 -1.53 0.00 0.00 34.83 29.92 1x4m s MET 20 CO -0.00 -0.12 -0.17 0.42 -2.03 0.00 0.00 175.02 173.12 1x4m s ILE 21 N 0.82 1.51 -0.23 3.16 -1.09 -0.02 -4.90 121.20 120.44 1x4m s ILE 21 Ca 0.55 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 1x4m s ILE 21 Cb -0.26 -1.35 -0.03 0.00 -1.58 0.00 0.00 42.46 39.24 1x4m s ILE 21 CO 0.30 0.44 1.62 -2.16 -1.23 0.00 0.00 174.94 173.90 1x4m s PRO 22 N 0.65 3.78 0.40 2.79 0.04 -1.26 -0.26 135.00 141.14 1x4m s PRO 22 Ca -0.14 1.64 0.29 0.00 0.04 0.00 0.00 61.00 62.84 1x4m s PRO 22 Cb -0.16 -4.04 1.36 0.00 0.04 0.00 0.00 34.50 31.70 1x4m s PRO 22 CO 0.04 -1.32 1.44 0.00 0.04 0.00 0.00 177.00 177.20 1x4m n ALA 23 N 8.51 1.24 -0.02 8.56 0.00 -1.26 0.99 120.51 138.52 1x4m n ALA 23 Ca 0.19 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.34 1x4m n ALA 23 Cb 0.45 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1x4m n ALA 23 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4m h SER 24 N 0.00 -0.19 0.58 0.00 0.02 -1.93 -1.98 113.55 110.05 1x4m h SER 24 Ca 0.81 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.81 1x4m h SER 24 Cb 2.58 0.11 0.00 0.00 0.14 0.00 0.00 62.40 65.23 1x4m h SER 24 CO -0.45 -0.07 -0.33 0.29 -1.14 0.00 0.00 176.83 175.12 1x4m n LYS 25 N -5.19 0.13 -0.11 3.45 4.76 0.28 -4.02 118.16 117.46 1x4m n LYS 25 Ca -0.03 -0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.26 1x4m n LYS 25 Cb 0.12 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m h ALA 26 N 3.11 0.44 0.00 7.82 0.00 0.34 -1.33 119.26 129.64 1x4m h ALA 26 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x4m h ALA 26 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x4m h ALA 26 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1x4m n GLY 27 N -1.10 -0.69 0.12 0.00 0.00 -1.18 -1.06 105.19 101.28 1x4m n GLY 27 Ca -0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.24 2.17 0.11 0.99 4.32 -0.54 -3.02 117.00 119.79 1x4m n LEU 28 Ca 0.07 0.13 0.11 0.00 -0.02 0.00 0.00 56.01 56.31 1x4m n LEU 28 Cb 0.10 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 1x4m n LEU 28 CO 0.10 0.76 0.05 1.62 -1.22 0.00 0.00 177.39 178.70 1x4m h VAL 29 N 0.03 0.01 0.15 4.08 3.04 -1.14 -3.36 116.25 119.06 1x4m h VAL 29 Ca -0.45 -1.03 -0.36 0.00 -1.01 0.00 0.00 66.70 63.85 1x4m h VAL 29 Cb 2.02 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.83 1x4m h VAL 29 CO 0.03 0.01 -1.88 0.40 -1.01 0.00 0.00 177.57 175.13 1x4m h ILE 30 N 0.00 0.75 0.00 3.17 2.04 -1.28 1.81 117.51 124.00 1x4m h ILE 30 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1x4m h ILE 30 Cb 1.02 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1x4m h ILE 30 CO 0.00 0.87 0.00 0.61 0.00 0.00 0.00 178.15 179.63 1x4m n GLY 31 N 1.93 -1.74 3.14 5.37 0.00 -1.17 0.10 105.19 112.82 1x4m n GLY 31 Ca -0.29 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1x4m n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4m n LYS 32 N 0.00 2.83 -2.01 1.61 5.02 -1.26 -3.94 118.16 120.40 1x4m n LYS 32 Ca 0.00 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 1x4m n LYS 32 Cb 0.00 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.64 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4m n GLY 33 N 4.74 0.77 1.07 0.72 0.00 -1.26 -4.42 105.19 106.80 1x4m n GLY 33 Ca 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.61 0.52 0.14 -0.02 0.00 -0.68 -5.01 105.19 99.52 1x4m n GLY 34 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1x4m n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4m n GLU 35 N -1.07 0.73 -0.04 1.61 -0.58 0.28 -4.09 120.64 117.48 1x4m n GLU 35 Ca 0.00 0.23 -0.03 0.00 -0.42 0.00 0.00 57.16 56.94 1x4m n GLU 35 Cb 0.50 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 1x4m n GLU 35 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1x4m n THR 36 N -3.40 0.85 -0.33 2.62 -1.04 -0.99 -4.11 114.28 107.88 1x4m n THR 36 Ca -0.36 0.33 0.25 0.00 -2.04 0.00 0.00 64.05 62.24 1x4m n THR 36 Cb 1.03 -2.03 0.49 0.00 -1.82 0.00 0.00 70.33 68.00 1x4m n THR 36 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1x4m h ILE 37 N -0.59 0.12 -0.92 12.58 2.10 0.27 0.96 117.51 132.02 1x4m h ILE 37 Ca 0.00 -0.04 0.10 0.00 1.08 0.00 0.00 64.86 66.00 1x4m h ILE 37 Cb 0.34 -0.01 -0.08 0.00 -1.09 0.00 0.00 36.82 35.98 1x4m h ILE 37 CO 0.00 0.02 0.56 0.50 -1.08 0.00 0.00 178.15 178.15 1x4m h LYS 38 N 0.12 0.90 -0.09 2.19 3.64 -1.76 -1.15 116.57 120.41 1x4m h LYS 38 Ca 0.75 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.91 1x4m h LYS 38 Cb 1.84 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1x4m h LYS 38 CO -0.73 0.60 -0.66 1.96 -2.27 0.00 0.00 179.45 178.34 1x4m h GLN 39 N 0.93 0.38 -0.37 1.90 4.20 0.79 -3.04 115.11 119.90 1x4m h GLN 39 Ca 0.45 -0.29 0.11 0.00 0.06 0.00 0.00 58.65 58.97 1x4m h GLN 39 Cb 0.39 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1x4m h GLN 39 CO -0.25 0.91 0.29 -0.07 -0.67 0.00 0.00 178.83 179.04 1x4m h LEU 40 N 0.27 0.00 -2.17 1.46 3.38 -0.35 0.21 115.31 118.12 1x4m h LEU 40 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1x4m h LEU 40 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x4m h LEU 40 CO 0.11 0.00 -0.05 1.56 0.09 0.00 0.00 178.44 180.15 1x4m h GLN 41 N 0.00 0.00 0.00 1.13 4.20 -1.38 -3.03 115.11 116.03 1x4m h GLN 41 Ca 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1x4m h GLN 41 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1x4m h GLN 41 CO -0.00 0.05 -0.02 0.93 -0.67 0.00 0.00 178.83 179.12 1x4m h GLU 42 N 0.00 0.00 -0.92 1.46 5.08 -0.74 0.85 114.58 120.31 1x4m h GLU 42 Ca -0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1x4m h GLU 42 Cb 0.26 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.34 1x4m h GLU 42 CO 0.01 0.21 -0.25 0.00 -1.00 0.00 0.00 179.01 177.98 1x4m h ARG 43 N -1.00 -0.00 0.02 2.33 -0.00 -1.50 -1.00 114.38 113.23 1x4m h ARG 43 Ca -0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 1x4m h ARG 43 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.14 1x4m h ARG 43 CO -0.00 -0.00 -1.85 0.00 0.00 0.00 0.00 179.97 178.12 1x4m n ALA 44 N -3.50 1.39 -0.42 0.04 0.00 -1.15 -4.98 120.51 111.89 1x4m n ALA 44 Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1x4m n ALA 44 Cb 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.67 0.72 3.97 0.00 0.00 0.29 -4.91 105.19 106.93 1x4m n GLY 45 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.84 3.00 -0.18 1.61 -7.23 -0.89 -4.89 120.40 108.98 1x4m s VAL 46 Ca 0.00 -0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 1x4m s VAL 46 Cb 0.00 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1x4m s VAL 46 CO 0.00 -0.07 0.28 -0.75 -0.31 0.00 0.00 175.10 174.25 1x4m s LYS 47 N -4.65 4.23 -0.29 4.82 2.20 0.70 -4.24 119.74 122.50 1x4m s LYS 47 Ca 0.55 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 56.17 1x4m s LYS 47 Cb -0.10 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1x4m s LYS 47 CO 0.37 0.19 0.02 -1.64 -0.36 0.00 0.00 175.35 173.94 1x4m s MET 48 N 0.63 2.72 -0.22 4.03 -1.94 -1.26 -1.06 119.30 122.20 1x4m s MET 48 Ca 0.15 -1.08 -0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1x4m s MET 48 Cb -0.13 -3.23 0.06 0.00 2.01 0.00 0.00 34.83 33.53 1x4m s MET 48 CO 0.04 -0.54 -0.04 0.08 -0.01 0.00 0.00 175.02 174.55 1x4m s VAL 49 N 1.36 1.29 0.08 -6.03 1.01 -0.20 -4.92 120.40 112.99 1x4m s VAL 49 Ca -0.01 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1x4m s VAL 49 Cb -0.18 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1x4m s VAL 49 CO -0.00 -0.09 1.18 -0.04 0.00 0.00 0.00 175.10 176.15 1x4m s MET 50 N 1.51 4.46 -0.14 2.72 -1.94 -1.26 -1.15 119.30 123.49 1x4m s MET 50 Ca -0.04 1.77 -0.16 0.00 -1.71 0.00 0.00 55.69 55.54 1x4m s MET 50 Cb -0.18 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1x4m s MET 50 CO -0.07 -0.20 0.40 0.42 -0.01 0.00 0.00 175.02 175.56 1x4m s ILE 51 N 0.82 5.24 -0.06 2.53 -1.09 0.05 -4.89 121.20 123.80 1x4m s ILE 51 Ca 0.57 0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 59.74 1x4m s ILE 51 Cb -0.30 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1x4m s ILE 51 CO 0.30 0.34 -0.03 -0.61 -1.23 0.00 0.00 174.94 173.71 1x4m h GLN 52 N 6.78 0.00 -7.17 2.79 4.15 -1.95 -3.33 115.11 116.38 1x4m h GLN 52 Ca -0.40 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 58.59 1x4m h GLN 52 Cb 1.17 0.00 0.20 0.00 0.21 0.00 0.00 27.48 29.06 1x4m h GLN 52 CO 0.75 0.00 0.02 -0.51 -1.93 0.00 0.00 178.83 177.16 1x4m s ASP 53 N -4.45 0.89 0.00 -0.69 1.01 -1.26 -4.81 116.67 107.36 1x4m s ASP 53 Ca -0.03 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1x4m s ASP 53 Cb 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.88 1x4m s ASP 53 CO 0.04 -4.23 0.00 0.61 0.21 0.00 0.00 175.17 171.80 1x4m n GLY 54 N 0.51 0.18 3.60 0.21 0.00 -1.26 -4.88 105.19 103.55 1x4m n GLY 54 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -1.19 -0.83 1.61 0.04 -1.26 -4.97 135.00 128.40 1x4m s PRO 55 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1x4m s PRO 55 Cb 0.00 -1.60 0.35 0.00 0.04 0.00 0.00 34.50 33.29 1x4m s PRO 55 CO 0.00 -3.69 1.70 0.00 0.04 0.00 0.00 177.00 175.05 1x4m n GLN 56 N -4.75 3.89 -4.15 4.56 10.64 -1.26 -4.86 117.38 121.46 1x4m n GLN 56 Ca 0.13 -4.24 -0.28 0.00 -1.83 0.00 0.00 57.00 50.78 1x4m n GLN 56 Cb 0.59 -2.34 -0.06 0.00 -0.86 0.00 0.00 30.24 27.58 1x4m n GLN 56 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x4m n ASN 57 N -0.32 0.34 -0.01 2.61 3.02 -1.26 -4.84 115.26 114.80 1x4m n ASN 57 Ca 0.47 -1.15 0.10 0.00 -0.03 0.00 0.00 54.58 53.96 1x4m n ASN 57 Cb 0.32 -2.29 -0.16 0.00 -0.61 0.00 0.00 39.78 37.04 1x4m n ASN 57 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1x4m n THR 58 N -4.50 0.12 -4.06 3.41 5.66 -1.26 -5.02 114.28 108.63 1x4m n THR 58 Ca -0.32 -0.53 -0.10 0.00 -3.05 0.00 0.00 64.05 60.06 1x4m n THR 58 Cb 0.69 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 69.35 1x4m n THR 58 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x4m s GLY 59 N -4.57 0.84 -1.06 1.09 0.00 -1.26 -5.10 107.32 97.25 1x4m s GLY 59 Ca -0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1x4m s GLY 59 CO 0.90 -0.90 1.10 0.00 0.00 0.00 0.00 173.10 174.20 1x4m s ALA 60 N -4.06 4.40 -0.06 3.20 0.00 -1.26 -4.96 121.76 119.02 1x4m s ALA 60 Ca 0.28 -3.60 -0.30 0.00 0.00 0.00 0.00 51.96 48.34 1x4m s ALA 60 Cb 0.02 -3.69 0.08 0.00 0.00 0.00 0.00 23.12 19.54 1x4m s ALA 60 CO 0.09 -2.37 0.74 0.16 0.00 0.00 0.00 175.76 174.39 1x4m s ASP 61 N 1.89 -0.59 -0.15 0.00 1.47 -1.26 -4.50 116.67 113.54 1x4m s ASP 61 Ca 0.31 0.60 0.01 0.00 1.18 0.00 0.00 52.55 54.64 1x4m s ASP 61 Cb -0.08 0.49 0.02 0.00 -0.34 0.00 0.00 42.92 43.01 1x4m s ASP 61 CO -0.07 -0.58 -0.15 -0.54 0.68 0.00 0.00 175.17 174.51 1x4m s LYS 62 N -1.37 2.38 -0.31 2.11 -0.14 0.64 -4.89 119.74 118.15 1x4m s LYS 62 Ca -0.08 -0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1x4m s LYS 62 Cb -0.00 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1x4m s LYS 62 CO 0.06 -0.21 1.67 -1.25 -0.76 0.00 0.00 175.35 174.86 1x4m s PRO 63 N 1.41 3.52 -0.21 -1.68 0.04 -1.25 -0.84 135.00 135.99 1x4m s PRO 63 Ca 0.04 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 1x4m s PRO 63 Cb -0.13 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1x4m s PRO 63 CO -0.10 -1.63 0.34 -1.17 0.04 0.00 0.00 177.00 174.48 1x4m s LEU 64 N 6.09 4.15 -0.26 -3.56 2.96 0.67 -0.77 118.68 127.97 1x4m s LEU 64 Ca 0.74 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.96 1x4m s LEU 64 Cb -0.22 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1x4m s LEU 64 CO 0.32 -0.03 0.21 -0.60 -1.32 0.00 0.00 176.35 174.93 1x4m s ARG 65 N 1.18 4.03 -0.36 1.98 3.52 -0.30 -1.18 118.95 127.81 1x4m s ARG 65 Ca 0.16 -0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1x4m s ARG 65 Cb -0.14 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.73 1x4m s ARG 65 CO 0.07 -0.08 0.12 0.42 -0.81 0.00 0.00 175.30 175.02 1x4m s ILE 66 N 1.45 3.11 0.28 4.11 1.01 0.71 -1.03 121.20 130.84 1x4m s ILE 66 Ca 0.09 -1.82 0.03 0.00 0.00 0.00 0.00 60.65 58.95 1x4m s ILE 66 Cb -0.15 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1x4m s ILE 66 CO 0.08 -0.46 0.43 0.42 0.00 0.00 0.00 174.94 175.40 1x4m s THR 67 N 1.17 5.20 0.00 2.92 -4.23 -0.22 -0.90 115.64 119.58 1x4m s THR 67 Ca 0.03 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1x4m s THR 67 Cb -0.21 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1x4m s THR 67 CO -0.03 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1x4m n GLY 68 N -1.54 -0.19 3.31 3.99 0.00 0.11 -0.21 105.19 110.66 1x4m n GLY 68 Ca -0.07 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 2.10 0.39 1.61 1.01 -1.26 -1.83 116.67 114.69 1x4m s ASP 69 Ca 0.00 -1.08 0.18 0.00 0.71 0.00 0.00 52.55 52.36 1x4m s ASP 69 Cb 0.00 -0.05 0.79 0.00 1.01 0.00 0.00 42.92 44.66 1x4m s ASP 69 CO 0.00 -0.33 1.80 1.55 0.21 0.00 0.00 175.17 178.40 1x4m h PRO 70 N 2.60 0.00 0.00 8.23 0.13 -1.90 0.56 132.00 141.62 1x4m h PRO 70 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1x4m h PRO 70 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1x4m h PRO 70 CO 0.64 0.35 -1.42 0.98 -0.23 0.00 0.00 178.00 178.33 1x4m n TYR 71 N -3.72 0.76 -0.10 1.56 9.36 -1.26 -4.01 117.16 119.75 1x4m n TYR 71 Ca -0.01 0.24 -0.15 0.00 3.32 0.00 0.00 57.90 61.30 1x4m n TYR 71 Cb 0.45 -0.94 -0.06 0.00 -0.63 0.00 0.00 39.34 38.15 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1x4m n LYS 72 N -2.70 0.52 -0.39 2.98 5.02 -1.13 -3.98 118.16 118.47 1x4m n LYS 72 Ca -0.07 0.44 0.31 0.00 -2.02 0.00 0.00 58.31 56.98 1x4m n LYS 72 Cb 0.71 -1.63 0.60 0.00 -0.02 0.00 0.00 35.03 34.69 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 0.28 -0.11 -0.18 2.07 -0.10 1.27 116.25 118.48 1x4m h VAL 73 Ca -0.23 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 1x4m h VAL 73 Cb 1.03 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1x4m h VAL 73 CO -0.14 0.04 -0.43 0.06 0.02 0.00 0.00 177.57 177.12 1x4m h GLN 74 N 0.20 0.26 -0.01 1.57 3.07 -1.73 -1.75 115.11 116.71 1x4m h GLN 74 Ca 0.73 -0.13 -0.26 0.00 0.09 0.00 0.00 58.65 59.08 1x4m h GLN 74 Cb 2.16 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.74 1x4m h GLN 74 CO -0.37 0.65 -1.01 1.96 0.09 0.00 0.00 178.83 180.15 1x4m h GLN 75 N 0.21 0.70 -0.10 0.06 1.08 0.14 -3.24 115.11 113.97 1x4m h GLN 75 Ca 0.02 -0.74 -0.10 0.00 -1.45 0.00 0.00 58.65 56.38 1x4m h GLN 75 Cb 0.85 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 1x4m h GLN 75 CO 0.07 1.32 -0.38 0.00 -0.95 0.00 0.00 178.83 178.89 1x4m h ALA 76 N 0.40 1.18 0.62 3.87 0.00 -1.03 -2.58 119.26 121.73 1x4m h ALA 76 Ca -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1x4m h ALA 76 Cb 1.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1x4m h ALA 76 CO 0.20 0.55 -0.40 -0.22 0.00 0.00 0.00 179.25 179.38 1x4m h LYS 77 N 0.18 -0.93 -0.55 0.00 3.64 -1.34 -0.86 116.57 116.71 1x4m h LYS 77 Ca 0.02 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1x4m h LYS 77 Cb 0.75 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1x4m h LYS 77 CO 0.06 -0.62 0.29 1.05 -2.27 0.00 0.00 179.45 177.95 1x4m h GLU 78 N -0.97 0.75 -0.61 1.90 4.11 -1.58 0.29 114.58 118.48 1x4m h GLU 78 Ca -0.08 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.28 1x4m h GLU 78 Cb 0.79 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1x4m h GLU 78 CO 0.06 0.57 0.40 0.52 0.07 0.00 0.00 179.01 180.63 1x4m h MET 79 N 0.76 0.80 -0.01 1.06 2.86 -1.13 -0.15 114.93 119.12 1x4m h MET 79 Ca 0.19 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.54 1x4m h MET 79 Cb 0.04 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.53 1x4m h MET 79 CO -0.03 0.53 -0.97 0.28 1.06 0.00 0.00 176.91 177.77 1x4m h VAL 80 N 0.82 1.33 -0.76 -2.22 2.07 -0.68 -3.17 116.25 113.65 1x4m h VAL 80 Ca 0.23 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1x4m h VAL 80 Cb -0.09 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1x4m h VAL 80 CO -0.05 0.70 0.44 -0.07 0.02 0.00 0.00 177.57 178.61 1x4m h LEU 81 N 0.33 0.92 -1.20 2.57 3.38 -0.69 -1.11 115.31 119.52 1x4m h LEU 81 Ca -0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x4m h LEU 81 Cb 1.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1x4m h LEU 81 CO 0.18 0.73 0.00 -0.08 0.09 0.00 0.00 178.44 179.36 1x4m h GLU 82 N 1.04 0.00 -0.02 1.13 4.81 -1.07 -0.16 114.58 120.31 1x4m h GLU 82 Ca 0.27 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1x4m h GLU 82 Cb -0.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1x4m h GLU 82 CO -0.05 0.00 -0.42 1.25 -0.73 0.00 0.00 179.01 179.06 1x4m h LEU 83 N 0.00 0.40 0.06 1.64 7.12 -1.17 -3.32 115.31 120.04 1x4m h LEU 83 Ca 0.00 -0.74 -0.25 0.00 0.13 0.00 0.00 57.88 57.01 1x4m h LEU 83 Cb 0.34 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1x4m h LEU 83 CO 0.00 1.09 -1.24 0.16 -0.13 0.00 0.00 178.44 178.32 1x4m h ILE 84 N -0.25 1.46 -2.35 4.05 -0.00 -1.33 -3.47 117.51 115.62 1x4m h ILE 84 Ca -0.05 -3.13 -0.52 0.00 -0.00 0.00 0.00 64.86 61.15 1x4m h ILE 84 Cb 1.14 2.82 0.23 0.00 -0.00 0.00 0.00 36.82 41.01 1x4m h ILE 84 CO 0.08 0.87 -1.48 0.54 -0.00 0.00 0.00 178.15 178.16 1x4m n ARG 85 N -3.39 -0.28 -0.78 0.16 1.74 -0.09 -4.90 116.66 109.12 1x4m n ARG 85 Ca -0.07 -0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 1x4m n ARG 85 Cb 0.99 -1.36 0.17 0.00 -1.02 0.00 0.00 32.46 31.25 1x4m n ARG 85 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1x4m s ASP 86 N -1.43 2.72 -0.20 0.55 2.15 -1.26 -5.00 116.67 114.21 1x4m s ASP 86 Ca 0.47 1.94 -0.27 0.00 0.43 0.00 0.00 52.55 55.11 1x4m s ASP 86 Cb -0.14 -2.47 0.08 0.00 -0.30 0.00 0.00 42.92 40.08 1x4m s ASP 86 CO 0.74 -3.18 0.74 -1.58 -0.17 0.00 0.00 175.17 171.71 1x4m s GLN 87 N -4.66 0.88 -0.01 4.34 0.74 -1.26 -5.05 119.66 114.63 1x4m s GLN 87 Ca 0.66 0.70 0.03 0.00 0.05 0.00 0.00 55.36 56.80 1x4m s GLN 87 Cb -0.22 0.42 -0.00 0.00 1.10 0.00 0.00 33.01 34.31 1x4m s GLN 87 CO 0.59 -0.17 -0.09 0.20 -0.55 0.00 0.00 175.29 175.27 1x4m s GLY 88 N -0.19 0.47 -0.11 2.59 0.00 -1.26 -5.05 107.32 103.77 1x4m s GLY 88 Ca -0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 44.72 44.22 1x4m s GLY 88 CO 0.03 -0.23 -0.22 1.44 0.00 0.00 0.00 173.10 174.13 1x4m n SER 89 N 3.03 1.48 -3.89 1.64 7.64 -1.26 -4.89 113.62 117.38 1x4m n SER 89 Ca -0.15 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.68 1x4m n SER 89 Cb 0.56 -0.56 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1x4m n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4m s GLY 90 N -4.83 2.70 0.46 0.23 0.00 -1.26 -4.91 107.32 99.71 1x4m s GLY 90 Ca -0.20 -3.59 0.25 0.00 0.00 0.00 0.00 44.72 41.17 1x4m s GLY 90 CO 0.28 1.12 1.89 -0.56 0.00 0.00 0.00 173.10 175.83 1x4m h PRO 91 N 5.74 0.00 -4.84 2.90 0.13 -2.02 -3.43 132.00 130.49 1x4m h PRO 91 Ca 0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.78 1x4m h PRO 91 Cb 0.80 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.63 1x4m h PRO 91 CO 0.69 0.20 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.75 1x4m s SER 92 N -6.18 1.32 -0.27 1.44 0.01 -1.26 -5.05 113.70 103.71 1x4m s SER 92 Ca -0.00 -0.20 -0.15 0.00 1.31 0.00 0.00 55.95 56.91 1x4m s SER 92 Cb 0.11 -0.24 -0.13 0.00 0.21 0.00 0.00 66.02 65.97 1x4m s SER 92 CO 0.62 0.11 -0.31 -1.20 0.41 0.00 0.00 173.24 172.87 1x4m n SER 93 N 3.02 1.95 0.00 2.44 7.64 -1.26 -5.20 113.62 122.21 1x4m n SER 93 Ca -0.16 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1x4m n SER 93 Cb 0.55 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64