#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 4.39 -0.07 1.61 0.01 -1.26 -5.08 113.70 113.29 1x4m s SER 2 Ca 0.00 -1.86 -0.03 0.00 1.31 0.00 0.00 55.95 55.37 1x4m s SER 2 Cb 0.00 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.00 1x4m s SER 2 CO 0.00 -0.38 0.14 -0.55 0.41 0.00 0.00 173.24 172.86 1x4m s SER 3 N 1.24 0.30 -0.50 2.44 0.15 -1.26 -5.09 113.70 110.99 1x4m s SER 3 Ca 0.09 0.29 0.07 0.00 0.70 0.00 0.00 55.95 57.09 1x4m s SER 3 Cb -0.18 0.19 0.20 0.00 -1.71 0.00 0.00 66.02 64.52 1x4m s SER 3 CO -0.15 -0.19 0.71 0.61 1.20 0.00 0.00 173.24 175.42 1x4m n GLY 4 N 4.71 -0.16 3.55 9.45 0.00 -1.26 -5.13 105.19 116.34 1x4m n GLY 4 Ca -0.17 0.21 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 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 2.70 0.87 -4.19 1.61 7.64 -1.26 -4.97 113.62 116.02 1x4m n SER 5 Ca 0.18 1.14 -0.25 0.00 1.01 0.00 0.00 58.87 60.95 1x4m n SER 5 Cb 0.56 -1.12 -0.15 0.00 -1.01 0.00 0.00 64.21 62.49 1x4m n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4m s SER 6 N -0.01 2.15 0.00 6.43 1.04 -1.26 -5.05 113.70 117.00 1x4m s SER 6 Ca 0.78 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1x4m s SER 6 Cb -0.96 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 64.93 1x4m s SER 6 CO 0.53 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.56 1x4m n GLY 7 N 2.46 0.73 2.98 7.32 0.00 -1.26 -4.98 105.19 112.45 1x4m n GLY 7 Ca -0.15 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -0.16 0.32 1.61 5.65 -1.26 -5.09 115.29 116.36 1x4m s HIS 8 Ca 0.00 0.42 0.00 0.00 0.25 0.00 0.00 55.06 55.73 1x4m s HIS 8 Cb 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 32.58 31.40 1x4m s HIS 8 CO 0.00 -0.11 0.00 0.41 -0.65 0.00 0.00 174.74 174.39 1x4m n GLY 9 N 3.46 -4.75 3.32 1.59 0.00 -1.26 -4.88 105.19 102.67 1x4m n GLY 9 Ca -0.18 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1x4m n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 10 N -1.87 6.03 0.00 1.61 1.11 -1.26 -4.59 116.67 117.70 1x4m s ASP 10 Ca 0.00 -1.62 0.00 0.00 0.18 0.00 0.00 52.55 51.11 1x4m s ASP 10 Cb 0.00 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.85 1x4m s ASP 10 CO 0.00 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.24 1x4m n GLY 11 N 5.14 0.50 3.73 0.21 0.00 -1.26 -5.05 105.19 108.46 1x4m n GLY 11 Ca -0.12 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.40 4.37 0.00 1.61 0.04 -1.26 -4.92 135.00 132.45 1x4m s PRO 12 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x4m s PRO 12 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1x4m s PRO 12 CO 0.00 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1x4m n GLY 13 N 2.74 -0.89 3.19 0.56 0.00 -1.26 -5.12 105.19 104.42 1x4m n GLY 13 Ca 0.08 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1x4m n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x4m s ASN 14 N -4.00 2.98 0.08 1.61 2.47 -1.26 -4.99 114.94 111.83 1x4m s ASN 14 Ca 0.00 -0.54 -0.23 0.00 0.42 0.00 0.00 52.86 52.51 1x4m s ASN 14 Cb 0.00 -1.36 -0.07 0.00 -1.45 0.00 0.00 41.25 38.37 1x4m s ASN 14 CO 0.00 0.13 0.69 0.00 -3.72 0.00 0.00 177.10 174.20 1x4m s ALA 15 N 0.47 3.47 0.02 1.71 0.00 0.54 -4.86 121.76 123.10 1x4m s ALA 15 Ca -0.16 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1x4m s ALA 15 Cb -0.17 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1x4m s ALA 15 CO 0.06 0.23 -0.06 0.54 0.00 0.00 0.00 175.76 176.53 1x4m s VAL 16 N -0.67 0.48 -0.05 0.00 0.11 -1.26 0.08 120.40 119.09 1x4m s VAL 16 Ca 0.34 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1x4m s VAL 16 Cb -0.21 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1x4m s VAL 16 CO 0.22 -0.09 0.10 -1.10 -3.33 0.00 0.00 175.10 170.90 1x4m s GLN 17 N -0.74 0.00 -0.12 1.54 -1.52 -0.02 -4.96 119.66 113.84 1x4m s GLN 17 Ca -0.03 0.38 -0.06 0.00 -1.95 0.00 0.00 55.36 53.71 1x4m s GLN 17 Cb -0.05 -0.31 -0.04 0.00 -0.22 0.00 0.00 33.01 32.39 1x4m s GLN 17 CO 0.00 -0.25 0.10 -1.21 -0.25 0.00 0.00 175.29 173.68 1x4m s GLU 18 N 1.71 3.37 0.13 2.91 2.02 -1.26 -0.73 118.70 126.85 1x4m s GLU 18 Ca -0.02 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1x4m s GLU 18 Cb -0.12 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1x4m s GLU 18 CO -0.04 0.71 0.00 0.96 0.02 0.00 0.00 175.26 176.91 1x4m s ILE 19 N -0.86 0.48 -0.26 -1.63 -0.00 -0.28 -4.94 121.20 113.70 1x4m s ILE 19 Ca 0.14 -1.93 -0.14 0.00 -0.00 0.00 0.00 60.65 58.71 1x4m s ILE 19 Cb -0.12 -1.96 -0.04 0.00 -0.00 0.00 0.00 42.46 40.34 1x4m s ILE 19 CO 0.03 -0.60 0.33 -0.04 -0.00 0.00 0.00 174.94 174.66 1x4m s MET 20 N -3.94 4.03 -0.12 0.37 -1.94 -1.26 0.15 119.30 116.60 1x4m s MET 20 Ca 0.20 -0.02 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 1x4m s MET 20 Cb 0.07 -3.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.27 1x4m s MET 20 CO 0.00 -0.19 -0.18 0.42 -0.01 0.00 0.00 175.02 175.06 1x4m s ILE 21 N 1.81 2.57 -0.27 2.53 -1.09 -0.16 -4.92 121.20 121.67 1x4m s ILE 21 Ca 0.14 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.44 1x4m s ILE 21 Cb -0.15 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1x4m s ILE 21 CO 0.09 0.54 1.65 -2.16 -1.23 0.00 0.00 174.94 173.83 1x4m s PRO 22 N 0.43 3.64 0.27 2.79 0.04 -1.26 0.30 135.00 141.21 1x4m s PRO 22 Ca -0.13 1.52 0.12 0.00 0.04 0.00 0.00 61.00 62.55 1x4m s PRO 22 Cb -0.17 -4.08 0.92 0.00 0.04 0.00 0.00 34.50 31.21 1x4m s PRO 22 CO 0.06 -1.49 1.21 0.00 0.04 0.00 0.00 177.00 176.82 1x4m n ALA 23 N 9.02 0.69 -0.18 8.56 0.00 -1.26 0.16 120.51 137.50 1x4m n ALA 23 Ca 0.20 0.79 -0.01 0.00 0.00 0.00 0.00 53.44 54.43 1x4m n ALA 23 Cb 0.46 -0.74 0.09 0.00 0.00 0.00 0.00 19.45 19.26 1x4m n ALA 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x4m h SER 24 N 0.00 -0.10 0.50 0.00 4.64 -1.92 0.58 113.55 117.25 1x4m h SER 24 Ca 0.60 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1x4m h SER 24 Cb 1.53 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1x4m h SER 24 CO -0.63 -0.03 -0.34 0.29 -0.87 0.00 0.00 176.83 175.26 1x4m n LYS 25 N -5.18 0.25 0.00 4.77 4.76 0.43 -3.78 118.16 119.42 1x4m n LYS 25 Ca 0.07 -0.13 0.04 0.00 -2.87 0.00 0.00 58.31 55.43 1x4m n LYS 25 Cb 0.30 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.26 1.43 0.58 7.82 0.00 0.27 -1.35 120.51 128.00 1x4m n ALA 26 Ca 0.08 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.58 1x4m n ALA 26 Cb 0.33 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.61 0.76 0.10 0.00 0.00 -1.22 -3.71 105.19 100.50 1x4m n GLY 27 Ca 0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 1.04 1.40 0.07 0.99 4.32 -0.46 -3.49 117.00 120.88 1x4m n LEU 28 Ca 0.12 -0.06 0.11 0.00 -0.02 0.00 0.00 56.01 56.17 1x4m n LEU 28 Cb 0.47 -0.14 0.01 0.00 -1.62 0.00 0.00 43.42 42.14 1x4m n LEU 28 CO 0.12 0.64 -0.01 0.55 -1.22 0.00 0.00 177.39 177.47 1x4m n VAL 29 N -2.89 0.45 -0.05 4.08 3.14 -1.17 -4.26 118.33 117.63 1x4m n VAL 29 Ca -0.34 -0.45 -0.21 0.00 -2.96 0.00 0.00 64.34 60.38 1x4m n VAL 29 Cb 1.00 -0.19 -0.13 0.00 -1.06 0.00 0.00 33.84 33.47 1x4m n VAL 29 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1x4m n ILE 30 N -2.44 1.66 0.00 1.55 5.41 -1.24 0.46 119.36 124.75 1x4m n ILE 30 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.20 1x4m n ILE 30 Cb 0.52 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 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 1.97 1.02 0.84 7.39 0.00 -1.23 -1.22 105.19 113.96 1x4m n GLY 31 Ca -0.38 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.58 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 2.62 1.17 0.00 1.61 4.01 -1.26 -4.79 118.16 121.52 1x4m n LYS 32 Ca 0.00 -2.96 0.00 0.00 -0.51 0.00 0.00 58.31 54.84 1x4m n LYS 32 Cb 0.00 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4m n GLY 33 N -0.69 0.00 1.08 0.72 0.00 -1.26 -4.92 105.19 100.12 1x4m n GLY 33 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.67 0.13 -0.02 0.00 -0.98 -5.01 105.19 99.98 1x4m n GLY 34 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.70 0.69 -0.07 1.61 4.71 -0.36 -3.87 120.64 122.65 1x4m n GLU 35 Ca 0.00 0.30 -0.05 0.00 -0.01 0.00 0.00 57.16 57.41 1x4m n GLU 35 Cb 0.45 -1.67 -0.02 0.00 -1.01 0.00 0.00 31.44 29.19 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1x4m h THR 36 N -0.24 0.18 -0.79 2.62 2.02 -1.72 -3.35 112.91 111.63 1x4m h THR 36 Ca -0.46 -1.17 0.18 0.00 0.77 0.00 0.00 66.41 65.73 1x4m h THR 36 Cb 1.83 0.37 -0.12 0.00 -1.74 0.00 0.00 68.15 68.50 1x4m h THR 36 CO -0.04 0.06 0.25 -0.29 0.37 0.00 0.00 175.52 175.86 1x4m h ILE 37 N -1.00 0.49 -0.99 3.11 2.10 -0.13 0.25 117.51 121.34 1x4m h ILE 37 Ca -0.03 -0.11 0.21 0.00 1.08 0.00 0.00 64.86 66.02 1x4m h ILE 37 Cb 0.41 0.16 -0.09 0.00 -1.09 0.00 0.00 36.82 36.20 1x4m h ILE 37 CO -0.02 0.06 0.62 0.50 -1.08 0.00 0.00 178.15 178.23 1x4m h LYS 38 N 0.31 0.57 0.01 2.19 3.64 -1.74 0.12 116.57 121.67 1x4m h LYS 38 Ca 0.46 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.59 1x4m h LYS 38 Cb 0.82 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1x4m h LYS 38 CO -0.52 0.38 -0.94 1.96 -2.27 0.00 0.00 179.45 178.05 1x4m h GLN 39 N 0.59 0.35 0.00 1.90 1.08 -0.67 -3.11 115.11 115.25 1x4m h GLN 39 Ca 0.56 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1x4m h GLN 39 Cb 1.11 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1x4m h GLN 39 CO -0.31 1.07 0.11 -0.07 -0.95 0.00 0.00 178.83 178.68 1x4m h LEU 40 N 0.19 0.00 -0.91 1.46 3.38 0.08 0.13 115.31 119.64 1x4m h LEU 40 Ca -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1x4m h LEU 40 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1x4m h LEU 40 CO 0.16 0.00 -0.39 1.56 0.09 0.00 0.00 178.44 179.86 1x4m h GLN 41 N 0.00 0.00 0.16 1.13 4.20 -1.43 -3.10 115.11 116.07 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 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1x4m h GLN 41 CO 0.00 0.39 -1.85 0.93 -0.67 0.00 0.00 178.83 177.63 1x4m h GLU 42 N 0.00 0.34 -0.81 1.46 4.39 -0.93 0.54 114.58 119.57 1x4m h GLU 42 Ca -0.00 -0.57 0.13 0.00 0.34 0.00 0.00 59.36 59.26 1x4m h GLU 42 Cb 0.92 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1x4m h GLU 42 CO 0.05 1.26 0.53 0.00 -1.16 0.00 0.00 179.01 179.70 1x4m h ARG 43 N 0.09 0.57 0.00 2.33 2.47 -1.52 -2.92 114.38 115.40 1x4m h ARG 43 Ca -0.37 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.20 1x4m h ARG 43 Cb 2.07 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 30.24 1x4m h ARG 43 CO 0.14 0.38 -1.63 0.00 0.56 0.00 0.00 179.97 179.42 1x4m n ALA 44 N -2.47 2.01 -1.66 0.04 0.00 -1.17 -5.04 120.51 112.21 1x4m n ALA 44 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1x4m n ALA 44 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 2.17 0.68 3.17 0.00 0.00 0.15 -4.87 105.19 106.50 1x4m n GLY 45 Ca -0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.60 0.16 -0.20 1.61 -7.23 0.88 -4.58 120.40 108.44 1x4m s VAL 46 Ca 0.00 -1.29 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 1x4m s VAL 46 Cb 0.00 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1x4m s VAL 46 CO 0.00 -0.71 0.60 -0.75 -0.31 0.00 0.00 175.10 173.93 1x4m s LYS 47 N -3.64 4.21 -0.32 4.82 2.20 0.13 -4.16 119.74 122.99 1x4m s LYS 47 Ca 0.04 0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 56.13 1x4m s LYS 47 Cb 0.04 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1x4m s LYS 47 CO -0.10 -0.22 0.12 -1.64 -0.36 0.00 0.00 175.35 173.15 1x4m s MET 48 N 1.86 3.03 -0.24 4.03 -1.94 -1.26 -0.59 119.30 124.19 1x4m s MET 48 Ca 0.28 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1x4m s MET 48 Cb -0.16 -3.48 0.06 0.00 2.01 0.00 0.00 34.83 33.26 1x4m s MET 48 CO 0.10 -0.51 -0.07 0.08 -0.01 0.00 0.00 175.02 174.61 1x4m s VAL 49 N 1.52 1.68 -0.11 -6.03 1.01 0.57 -4.93 120.40 114.10 1x4m s VAL 49 Ca 0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1x4m s VAL 49 Cb -0.18 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1x4m s VAL 49 CO 0.04 -0.06 1.29 -0.04 0.00 0.00 0.00 175.10 176.32 1x4m s MET 50 N 1.33 4.27 -0.02 2.72 -1.94 -1.26 -0.59 119.30 123.81 1x4m s MET 50 Ca -0.06 1.73 -0.20 0.00 -1.71 0.00 0.00 55.69 55.46 1x4m s MET 50 Cb -0.19 -3.70 -0.05 0.00 2.01 0.00 0.00 34.83 32.90 1x4m s MET 50 CO -0.06 -0.63 0.56 0.42 -0.01 0.00 0.00 175.02 175.31 1x4m s ILE 51 N 3.05 4.95 0.03 2.53 -1.09 0.11 -4.91 121.20 125.86 1x4m s ILE 51 Ca 0.57 1.17 -0.14 0.00 -2.23 0.00 0.00 60.65 60.03 1x4m s ILE 51 Cb -0.24 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.67 1x4m s ILE 51 CO 0.19 0.42 1.21 -0.61 -1.23 0.00 0.00 174.94 174.93 1x4m h GLN 52 N 5.66 -0.44 -5.20 2.79 4.15 -1.95 -3.31 115.11 116.81 1x4m h GLN 52 Ca -0.45 0.03 -0.39 0.00 0.77 0.00 0.00 58.65 58.61 1x4m h GLN 52 Cb 1.20 0.10 -0.22 0.00 0.21 0.00 0.00 27.48 28.78 1x4m h GLN 52 CO 0.69 -0.29 -0.77 0.34 -1.93 0.00 0.00 178.83 176.87 1x4m s ASP 53 N -2.87 1.52 0.00 -0.69 2.15 -1.26 -4.62 116.67 110.89 1x4m s ASP 53 Ca -0.07 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.31 1x4m s ASP 53 Cb 0.01 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 1x4m s ASP 53 CO 0.23 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.74 1x4m n GLY 54 N 1.34 0.84 3.63 2.66 0.00 -1.26 -4.99 105.19 107.41 1x4m n GLY 54 Ca -0.21 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 0.29 -0.48 0.82 1.61 0.04 -1.26 -4.97 135.00 131.05 1x4m s PRO 55 Ca 0.00 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.09 1x4m s PRO 55 Cb 0.00 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 1x4m s PRO 55 CO 0.00 -3.27 0.34 1.04 0.04 0.00 0.00 177.00 175.15 1x4m n GLN 56 N -4.50 0.06 -1.57 4.56 1.13 -1.26 -4.75 117.38 111.05 1x4m n GLN 56 Ca 0.09 0.06 -0.47 0.00 -1.94 0.00 0.00 57.00 54.74 1x4m n GLN 56 Cb 0.58 -1.73 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 1x4m n GLN 56 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x4m n ASN 57 N -0.19 3.01 -3.64 1.08 4.13 -1.26 -4.94 115.26 113.45 1x4m n ASN 57 Ca 0.08 0.47 -0.19 0.00 1.68 0.00 0.00 54.58 56.62 1x4m n ASN 57 Cb 0.52 -1.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.17 1x4m n ASN 57 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1x4m s THR 58 N 6.88 -0.23 0.00 3.41 -1.32 -1.26 -5.11 115.64 118.02 1x4m s THR 58 Ca 1.01 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.74 1x4m s THR 58 Cb -0.58 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1x4m s THR 58 CO 0.43 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 1x4m n GLY 59 N 5.32 1.68 2.77 6.08 0.00 -1.26 -4.35 105.19 115.42 1x4m n GLY 59 Ca -0.05 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.23 1.26 0.25 4.61 0.00 -1.26 -5.12 121.76 120.29 1x4m s ALA 60 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 1x4m s ALA 60 Cb 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1x4m s ALA 60 CO 0.00 -1.27 0.68 0.34 0.00 0.00 0.00 175.76 175.51 1x4m s ASP 61 N 1.74 -0.31 -0.12 0.00 2.15 -1.26 -4.41 116.67 114.46 1x4m s ASP 61 Ca 0.00 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.45 1x4m s ASP 61 Cb -0.17 0.69 0.04 0.00 -0.30 0.00 0.00 42.92 43.18 1x4m s ASP 61 CO -0.11 -1.26 0.00 -0.54 -0.17 0.00 0.00 175.17 173.09 1x4m s LYS 62 N -3.89 0.74 -0.23 4.34 -0.14 0.15 -4.84 119.74 115.86 1x4m s LYS 62 Ca 0.10 -0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.30 1x4m s LYS 62 Cb -0.05 -1.43 -0.02 0.00 -1.68 0.00 0.00 37.83 34.65 1x4m s LYS 62 CO 0.03 -0.41 1.62 -1.25 -0.76 0.00 0.00 175.35 174.58 1x4m s PRO 63 N 1.90 3.76 -0.19 -1.68 0.04 -1.25 -0.99 135.00 136.60 1x4m s PRO 63 Ca 0.03 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.55 1x4m s PRO 63 Cb -0.14 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 1x4m s PRO 63 CO -0.06 -1.34 0.33 -1.17 0.04 0.00 0.00 177.00 174.80 1x4m s LEU 64 N 5.31 4.19 -0.27 -3.56 2.96 0.12 -0.71 118.68 126.72 1x4m s LEU 64 Ca 0.72 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.98 1x4m s LEU 64 Cb -0.24 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1x4m s LEU 64 CO 0.30 0.01 0.21 -0.60 -1.32 0.00 0.00 176.35 174.94 1x4m s ARG 65 N 0.95 3.99 -0.38 1.98 3.52 0.24 -1.12 118.95 128.12 1x4m s ARG 65 Ca 0.17 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.48 1x4m s ARG 65 Cb -0.14 -3.63 0.09 0.00 -1.56 0.00 0.00 34.95 29.72 1x4m s ARG 65 CO 0.06 -0.13 0.16 0.42 -0.81 0.00 0.00 175.30 175.00 1x4m s ILE 66 N 1.62 3.27 0.23 4.11 1.01 0.09 -0.32 121.20 131.20 1x4m s ILE 66 Ca 0.08 -1.87 0.03 0.00 0.00 0.00 0.00 60.65 58.89 1x4m s ILE 66 Cb -0.15 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1x4m s ILE 66 CO 0.09 -0.55 0.37 0.42 0.00 0.00 0.00 174.94 175.27 1x4m s THR 67 N 1.18 5.25 0.00 2.92 -4.23 0.25 -0.84 115.64 120.16 1x4m s THR 67 Ca 0.05 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1x4m s THR 67 Cb -0.22 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1x4m s THR 67 CO -0.03 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1x4m n GLY 68 N -1.13 0.16 3.92 3.99 0.00 0.11 0.23 105.19 112.46 1x4m n GLY 68 Ca -0.07 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 6.39 0.30 1.61 1.11 -1.26 -0.34 116.67 120.47 1x4m s ASP 69 Ca 0.00 0.62 0.08 0.00 0.18 0.00 0.00 52.55 53.43 1x4m s ASP 69 Cb 0.00 -2.10 0.46 0.00 1.07 0.00 0.00 42.92 42.34 1x4m s ASP 69 CO 0.00 -0.23 1.69 1.55 1.18 0.00 0.00 175.17 179.36 1x4m h PRO 70 N 1.39 0.15 0.00 8.23 0.13 -1.94 0.52 132.00 140.48 1x4m h PRO 70 Ca -0.48 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.44 1x4m h PRO 70 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x4m h PRO 70 CO 0.65 0.59 -1.07 -0.92 -0.23 0.00 0.00 178.00 177.02 1x4m h TYR 71 N 0.12 0.00 0.00 1.56 5.03 -1.99 -3.35 116.97 118.35 1x4m h TYR 71 Ca 0.01 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1x4m h TYR 71 Cb 0.88 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 1x4m h TYR 71 CO 0.01 0.47 -0.83 1.63 -1.32 0.00 0.00 178.16 178.13 1x4m n LYS 72 N -2.96 0.49 -0.53 1.82 5.02 -1.15 -3.72 118.16 117.12 1x4m n LYS 72 Ca -0.05 0.53 0.44 0.00 -2.02 0.00 0.00 58.31 57.20 1x4m n LYS 72 Cb 0.77 -1.70 0.72 0.00 -0.02 0.00 0.00 35.03 34.80 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m n VAL 73 N -4.54 -0.19 0.04 -0.18 0.31 0.18 0.22 118.33 114.17 1x4m n VAL 73 Ca -0.17 1.73 -0.17 0.00 -0.01 0.00 0.00 64.34 65.72 1x4m n VAL 73 Cb 0.43 -2.84 -0.07 0.00 -0.91 0.00 0.00 33.84 30.45 1x4m n VAL 73 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1x4m h GLN 74 N 0.00 0.60 -0.05 5.55 1.08 -1.73 -2.72 115.11 117.84 1x4m h GLN 74 Ca 0.90 -0.60 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 1x4m h GLN 74 Cb 3.08 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 30.67 1x4m h GLN 74 CO -0.35 1.21 -0.06 1.96 -0.95 0.00 0.00 178.83 180.65 1x4m h GLN 75 N 0.36 0.12 -0.43 1.46 1.08 0.26 -3.26 115.11 114.71 1x4m h GLN 75 Ca -0.09 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1x4m h GLN 75 Cb 1.58 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.97 1x4m h GLN 75 CO 0.18 0.59 0.18 0.00 -0.95 0.00 0.00 178.83 178.83 1x4m h ALA 76 N 0.53 0.52 -0.97 3.87 0.00 -0.92 -2.13 119.26 120.17 1x4m h ALA 76 Ca 0.01 0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.27 1x4m h ALA 76 Cb 0.57 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 1x4m h ALA 76 CO 0.01 -0.19 0.35 -0.22 0.00 0.00 0.00 179.25 179.20 1x4m h LYS 77 N 0.37 0.13 -0.50 0.00 3.64 -1.52 0.82 116.57 119.51 1x4m h LYS 77 Ca 0.19 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1x4m h LYS 77 Cb 0.15 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1x4m h LYS 77 CO -0.17 0.08 -0.18 0.93 -2.27 0.00 0.00 179.45 177.84 1x4m h GLU 78 N 0.13 1.01 -0.24 1.90 5.08 -1.45 0.28 114.58 121.28 1x4m h GLU 78 Ca 0.69 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1x4m h GLU 78 Cb 1.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1x4m h GLU 78 CO -0.74 1.09 0.16 0.52 -1.00 0.00 0.00 179.01 179.05 1x4m h MET 79 N 0.87 0.21 0.15 2.33 2.86 0.78 0.15 114.93 122.28 1x4m h MET 79 Ca 0.12 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.41 1x4m h MET 79 Cb 0.76 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1x4m h MET 79 CO 0.06 0.14 -1.74 0.28 1.06 0.00 0.00 176.91 176.71 1x4m h VAL 80 N 0.21 0.87 -0.48 -2.22 2.07 -1.04 -3.21 116.25 112.46 1x4m h VAL 80 Ca 0.10 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.16 1x4m h VAL 80 Cb 0.13 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1x4m h VAL 80 CO -0.02 0.83 0.20 -0.07 0.02 0.00 0.00 177.57 178.53 1x4m h LEU 81 N -0.02 0.65 -1.67 2.57 3.38 -0.58 -2.03 115.31 117.60 1x4m h LEU 81 Ca -0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1x4m h LEU 81 Cb 1.99 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1x4m h LEU 81 CO 0.12 0.62 -0.01 -0.08 0.09 0.00 0.00 178.44 179.18 1x4m h GLU 82 N 0.63 0.00 -0.13 1.13 4.81 -0.89 -0.29 114.58 119.84 1x4m h GLU 82 Ca 0.16 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1x4m h GLU 82 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1x4m h GLU 82 CO -0.02 0.01 -0.26 1.25 -0.73 0.00 0.00 179.01 179.27 1x4m h LEU 83 N 0.00 0.45 0.00 1.64 7.12 -1.38 -3.24 115.31 119.90 1x4m h LEU 83 Ca -0.00 -0.56 -0.07 0.00 0.13 0.00 0.00 57.88 57.38 1x4m h LEU 83 Cb 0.45 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1x4m h LEU 83 CO 0.00 0.92 -0.65 0.16 -0.13 0.00 0.00 178.44 178.74 1x4m h ILE 84 N -0.01 0.42 -1.38 4.05 -0.00 -1.33 -3.43 117.51 115.83 1x4m h ILE 84 Ca 0.00 -1.66 -0.47 0.00 -0.00 0.00 0.00 64.86 62.73 1x4m h ILE 84 Cb 0.85 2.08 -0.07 0.00 -0.00 0.00 0.00 36.82 39.67 1x4m h ILE 84 CO 0.06 0.24 1.15 -0.13 -0.00 0.00 0.00 178.15 179.47 1x4m s ARG 85 N -3.09 3.01 -0.07 0.16 0.52 -0.14 -4.79 118.95 114.56 1x4m s ARG 85 Ca 0.03 -0.37 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 1x4m s ARG 85 Cb 0.07 -4.86 -0.30 0.00 0.52 0.00 0.00 34.95 30.38 1x4m s ARG 85 CO 0.75 -2.66 0.80 0.22 0.02 0.00 0.00 175.30 174.43 1x4m h ASP 86 N 11.27 0.39 0.23 0.23 3.58 -1.83 -3.25 116.42 127.04 1x4m h ASP 86 Ca -0.01 -0.93 -0.01 0.00 0.42 0.00 0.00 57.03 56.50 1x4m h ASP 86 Cb 1.04 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1x4m h ASP 86 CO 1.29 1.40 -0.11 1.56 -2.88 0.00 0.00 179.24 180.50 1x4m h GLN 87 N -0.44 -0.30 0.00 0.28 1.08 -1.97 -3.12 115.11 110.64 1x4m h GLN 87 Ca -0.16 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1x4m h GLN 87 Cb 1.59 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1x4m h GLN 87 CO 0.11 -0.16 0.00 0.41 -0.95 0.00 0.00 178.83 178.24 1x4m n GLY 88 N -1.07 -2.89 2.99 3.46 0.00 -1.26 -4.43 105.19 101.99 1x4m n GLY 88 Ca -0.09 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.51 4.38 0.04 1.61 0.15 -1.23 -5.09 113.70 111.05 1x4m s SER 89 Ca 0.00 -1.63 -0.25 0.00 0.70 0.00 0.00 55.95 54.77 1x4m s SER 89 Cb 0.00 -1.43 0.06 0.00 -1.71 0.00 0.00 66.02 62.94 1x4m s SER 89 CO 0.00 -0.29 0.57 -0.83 1.20 0.00 0.00 173.24 173.89 1x4m s GLY 90 N 1.15 -0.49 0.00 9.45 0.00 -1.18 -4.61 107.32 111.64 1x4m s GLY 90 Ca 0.00 0.77 0.15 0.00 0.00 0.00 0.00 44.72 45.65 1x4m s GLY 90 CO -0.08 0.45 1.37 -1.55 0.00 0.00 0.00 173.10 173.29 1x4m n PRO 91 N 0.45 0.40 -0.98 2.90 -0.04 -1.26 -4.89 135.00 131.58 1x4m n PRO 91 Ca -0.18 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1x4m n PRO 91 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1x4m n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4m n SER 92 N -1.09 -2.41 -4.81 3.54 2.88 -1.26 -4.88 113.62 105.60 1x4m n SER 92 Ca 0.10 0.58 -0.36 0.00 -1.33 0.00 0.00 58.87 57.86 1x4m n SER 92 Cb 0.07 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 62.81 1x4m n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4m s SER 93 N -0.76 7.12 0.00 -3.46 0.01 -1.26 -5.23 113.70 110.12 1x4m s SER 93 Ca 0.45 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1x4m s SER 93 Cb -0.45 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.29 1x4m s SER 93 CO 0.49 -0.08 0.29 0.61 0.41 0.00 0.00 173.24 174.96