#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 -0.68 -0.67 1.61 0.15 -1.26 -5.05 113.70 107.80 1x4m s SER 2 Ca 0.00 1.16 -0.02 0.00 0.70 0.00 0.00 55.95 57.79 1x4m s SER 2 Cb 0.00 1.13 0.37 0.00 -1.71 0.00 0.00 66.02 65.81 1x4m s SER 2 CO 0.00 -0.35 2.08 -1.20 1.20 0.00 0.00 173.24 174.97 1x4m n SER 3 N 2.17 7.46 -0.65 5.45 7.64 -1.26 -4.99 113.62 129.44 1x4m n SER 3 Ca -0.16 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1x4m n SER 3 Cb 0.56 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1x4m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4m n GLY 4 N -0.57 -3.60 3.39 0.23 0.00 -1.26 -4.96 105.19 98.43 1x4m n GLY 4 Ca 0.56 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1x4m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4m s SER 5 N -2.85 4.47 0.28 1.61 0.15 -1.26 -5.10 113.70 111.00 1x4m s SER 5 Ca 0.00 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.15 1x4m s SER 5 Cb 0.00 -1.74 -0.09 0.00 -1.71 0.00 0.00 66.02 62.48 1x4m s SER 5 CO 0.00 0.08 0.82 -0.44 1.20 0.00 0.00 173.24 174.90 1x4m s SER 6 N 0.91 7.14 0.00 5.45 0.01 -1.26 -4.92 113.70 121.03 1x4m s SER 6 Ca -0.01 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1x4m s SER 6 Cb -0.15 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1x4m s SER 6 CO 0.01 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1x4m n GLY 7 N 0.52 1.38 3.39 3.44 0.00 -1.26 -5.18 105.19 107.48 1x4m n GLY 7 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1x4m n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4m s HIS 8 N 0.00 1.78 0.00 1.61 0.00 -1.26 -5.10 115.29 112.33 1x4m s HIS 8 Ca 0.00 -1.06 0.00 0.00 -3.00 0.00 0.00 55.06 51.00 1x4m s HIS 8 Cb 0.00 -1.12 0.00 0.00 -4.00 0.00 0.00 32.58 27.46 1x4m s HIS 8 CO 0.00 -0.14 0.00 0.41 -1.00 0.00 0.00 174.74 174.01 1x4m n GLY 9 N -0.59 -2.68 0.02 -1.38 0.00 -1.26 -5.04 105.19 94.27 1x4m n GLY 9 Ca -0.01 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.68 0.50 0.00 1.61 9.92 -1.26 -5.13 116.55 121.52 1x4m n ASP 10 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1x4m n ASP 10 Cb 0.00 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 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 1.52 3.01 0.26 0.44 0.00 -1.26 -4.85 105.19 104.30 1x4m n GLY 11 Ca -0.03 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.71 1x4m n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m h PRO 12 N 0.00 0.00 -4.92 1.61 0.13 -2.05 -3.46 132.00 123.31 1x4m h PRO 12 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1x4m h PRO 12 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1x4m h PRO 12 CO 0.00 0.09 -0.48 0.20 -0.23 0.00 0.00 178.00 177.58 1x4m s GLY 13 N -4.22 2.40 0.30 1.56 0.00 -1.26 -5.15 107.32 100.95 1x4m s GLY 13 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 44.72 42.34 1x4m s GLY 13 CO 0.58 -1.47 0.97 -1.31 0.00 0.00 0.00 173.10 171.86 1x4m s ASN 14 N -3.39 7.38 0.28 1.64 0.01 -1.26 -4.89 114.94 114.71 1x4m s ASN 14 Ca 0.41 1.95 -0.12 0.00 -0.71 0.00 0.00 52.86 54.39 1x4m s ASN 14 Cb 0.02 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 1x4m s ASN 14 CO 0.29 -0.04 0.64 0.00 -1.51 0.00 0.00 177.10 176.48 1x4m s ALA 15 N -1.42 3.45 -0.06 0.60 0.00 -0.68 -4.86 121.76 118.78 1x4m s ALA 15 Ca 0.47 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 1x4m s ALA 15 Cb -0.23 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.33 1x4m s ALA 15 CO 0.29 0.41 0.15 0.54 0.00 0.00 0.00 175.76 177.15 1x4m s VAL 16 N -1.91 -0.03 -0.07 0.00 0.11 -1.26 -0.45 120.40 116.78 1x4m s VAL 16 Ca 0.51 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 1x4m s VAL 16 Cb -0.11 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1x4m s VAL 16 CO 0.20 0.05 -0.08 -1.10 -3.33 0.00 0.00 175.10 170.84 1x4m s GLN 17 N 0.83 1.29 -0.12 1.54 -1.52 -0.13 -4.96 119.66 116.59 1x4m s GLN 17 Ca -0.06 -0.24 -0.07 0.00 -1.95 0.00 0.00 55.36 53.05 1x4m s GLN 17 Cb -0.08 -1.23 -0.04 0.00 -0.22 0.00 0.00 33.01 31.44 1x4m s GLN 17 CO -0.04 -0.10 0.12 -1.21 -0.25 0.00 0.00 175.29 173.81 1x4m s GLU 18 N 1.09 3.45 -0.02 2.91 2.02 -1.26 -1.15 118.70 125.75 1x4m s GLU 18 Ca -0.07 -0.17 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1x4m s GLU 18 Cb -0.14 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.93 1x4m s GLU 18 CO -0.01 0.73 0.04 0.96 0.02 0.00 0.00 175.26 177.00 1x4m s ILE 19 N -0.89 -0.02 -0.05 -1.63 -0.00 -0.29 -4.94 121.20 113.38 1x4m s ILE 19 Ca 0.14 0.06 -0.30 0.00 -0.00 0.00 0.00 60.65 60.55 1x4m s ILE 19 Cb -0.12 -0.07 -0.03 0.00 -0.00 0.00 0.00 42.46 42.24 1x4m s ILE 19 CO 0.03 0.02 1.15 -0.04 -0.00 0.00 0.00 174.94 176.11 1x4m s MET 20 N 0.31 4.38 -0.07 0.37 -1.94 -1.26 -0.21 119.30 120.89 1x4m s MET 20 Ca -0.02 1.62 0.05 0.00 -1.71 0.00 0.00 55.69 55.62 1x4m s MET 20 Cb -0.04 -3.53 -0.01 0.00 2.01 0.00 0.00 34.83 33.26 1x4m s MET 20 CO -0.01 -0.38 -0.22 0.42 -0.01 0.00 0.00 175.02 174.82 1x4m s ILE 21 N 1.99 2.37 -0.08 2.53 -1.09 -0.15 -4.91 121.20 121.87 1x4m s ILE 21 Ca 0.55 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 1x4m s ILE 21 Cb -0.24 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 1x4m s ILE 21 CO 0.22 0.57 1.51 -2.16 -1.23 0.00 0.00 174.94 173.85 1x4m s PRO 22 N -0.20 4.21 0.64 2.79 0.04 -1.26 0.15 135.00 141.37 1x4m s PRO 22 Ca -0.02 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.23 1x4m s PRO 22 Cb -0.13 -3.87 0.95 0.00 0.04 0.00 0.00 34.50 31.48 1x4m s PRO 22 CO 0.03 -0.77 1.51 0.00 0.04 0.00 0.00 177.00 177.81 1x4m h ALA 23 N 8.92 1.99 -0.04 8.56 0.00 -1.89 0.41 119.26 137.21 1x4m h ALA 23 Ca -0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1x4m h ALA 23 Cb 1.16 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x4m h ALA 23 CO 0.95 -0.87 -0.06 0.77 0.00 0.00 0.00 179.25 180.04 1x4m h SER 24 N 0.00 0.13 0.20 0.00 0.02 -1.89 -3.20 113.55 108.81 1x4m h SER 24 Ca 0.12 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1x4m h SER 24 Cb 1.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1x4m h SER 24 CO -0.00 0.62 -0.26 0.29 -1.14 0.00 0.00 176.83 176.34 1x4m n LYS 25 N -4.74 0.91 -0.12 3.45 4.76 0.10 -4.14 118.16 118.39 1x4m n LYS 25 Ca -0.08 -0.56 -0.09 0.00 -2.87 0.00 0.00 58.31 54.71 1x4m n LYS 25 Cb 0.31 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 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 3.73 0.47 0.00 7.82 0.00 -0.39 -1.81 119.26 129.08 1x4m h ALA 26 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x4m h ALA 26 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1x4m h ALA 26 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1x4m n GLY 27 N -0.81 -0.63 0.13 0.00 0.00 -1.25 -1.80 105.19 100.83 1x4m n GLY 27 Ca -0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.23 2.46 0.22 0.99 4.32 -0.71 -2.37 117.00 120.67 1x4m n LEU 28 Ca 0.06 0.18 0.12 0.00 -0.02 0.00 0.00 56.01 56.35 1x4m n LEU 28 Cb 0.09 -0.98 0.31 0.00 -1.62 0.00 0.00 43.42 41.22 1x4m n LEU 28 CO 0.09 0.71 0.81 1.62 -1.22 0.00 0.00 177.39 179.41 1x4m h VAL 29 N -0.36 0.17 0.00 4.08 3.04 -1.23 -3.35 116.25 118.60 1x4m h VAL 29 Ca -0.51 -1.04 -0.20 0.00 -1.01 0.00 0.00 66.70 63.94 1x4m h VAL 29 Cb 1.78 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 32.93 1x4m h VAL 29 CO -0.12 0.08 -1.52 -0.38 -1.01 0.00 0.00 177.57 174.63 1x4m n ILE 30 N -3.14 1.50 -2.14 3.17 5.41 -0.75 -0.26 119.36 123.15 1x4m n ILE 30 Ca 0.02 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1x4m n ILE 30 Cb 0.49 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 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 1.41 -1.09 3.37 7.39 0.00 -1.00 -2.03 105.19 113.23 1x4m n GLY 31 Ca -0.30 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 3.26 0.00 1.61 2.20 -1.26 -4.27 119.74 121.28 1x4m s LYS 32 Ca 0.00 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 53.88 1x4m s LYS 32 Cb 0.00 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 1x4m s LYS 32 CO 0.00 -1.49 0.00 0.41 -0.36 0.00 0.00 175.35 173.91 1x4m n GLY 33 N 4.99 0.90 3.59 5.54 0.00 -1.26 -4.17 105.19 114.77 1x4m n GLY 33 Ca 0.01 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.53 -0.78 0.13 -0.02 0.00 -1.24 -4.93 105.19 97.82 1x4m n GLY 34 Ca 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 1x4m n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x4m n GLU 35 N -3.99 0.72 -0.02 1.61 0.28 -0.86 -4.05 120.64 114.33 1x4m n GLU 35 Ca -0.16 0.23 -0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1x4m n GLU 35 Cb 0.63 -1.65 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1x4m h THR 36 N 0.05 0.00 -1.23 3.84 2.02 -1.67 -3.34 112.91 112.57 1x4m h THR 36 Ca -0.47 -0.41 0.46 0.00 0.77 0.00 0.00 66.41 66.76 1x4m h THR 36 Cb 2.00 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 68.25 1x4m h THR 36 CO 0.04 0.00 0.75 -0.29 0.37 0.00 0.00 175.52 176.39 1x4m h ILE 37 N -0.41 0.00 -0.72 3.11 2.10 -0.65 1.00 117.51 121.94 1x4m h ILE 37 Ca 0.00 -0.00 0.10 0.00 1.08 0.00 0.00 64.86 66.04 1x4m h ILE 37 Cb 0.03 0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 35.69 1x4m h ILE 37 CO 0.00 0.00 0.36 0.50 -1.08 0.00 0.00 178.15 177.93 1x4m h LYS 38 N 0.00 0.58 -0.14 2.19 3.64 -1.70 -0.56 116.57 120.58 1x4m h LYS 38 Ca 0.87 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 60.12 1x4m h LYS 38 Cb 2.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 34.29 1x4m h LYS 38 CO -0.59 0.38 -0.34 -0.56 -2.27 0.00 0.00 179.45 176.08 1x4m h GLN 39 N 0.60 0.29 0.00 1.90 3.07 0.92 -2.48 115.11 119.40 1x4m h GLN 39 Ca 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 58.98 1x4m h GLN 39 Cb 0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.94 1x4m h GLN 39 CO -0.28 0.60 -0.02 -0.07 0.09 0.00 0.00 178.83 179.14 1x4m h LEU 40 N 0.25 0.00 -1.10 0.06 3.38 -0.83 -1.25 115.31 115.83 1x4m h LEU 40 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1x4m h LEU 40 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1x4m h LEU 40 CO 0.05 0.02 -0.43 1.56 0.09 0.00 0.00 178.44 179.74 1x4m h GLN 41 N 0.00 0.00 0.12 1.13 4.20 -1.13 -2.72 115.11 116.71 1x4m h GLN 41 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 1x4m h GLN 41 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1x4m h GLN 41 CO 0.00 0.43 -1.37 0.93 -0.67 0.00 0.00 178.83 178.15 1x4m h GLU 42 N 0.00 0.25 -0.58 1.46 4.39 -1.36 0.34 114.58 119.08 1x4m h GLU 42 Ca -0.00 -0.43 0.10 0.00 0.34 0.00 0.00 59.36 59.37 1x4m h GLU 42 Cb 0.81 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 1x4m h GLU 42 CO 0.06 1.21 0.39 0.00 -1.16 0.00 0.00 179.01 179.50 1x4m h ARG 43 N -0.30 0.35 0.00 2.33 3.08 -1.46 -2.18 114.38 116.20 1x4m h ARG 43 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1x4m h ARG 43 Cb 1.76 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1x4m h ARG 43 CO 0.07 0.23 -1.34 0.00 -1.07 0.00 0.00 179.97 177.86 1x4m n ALA 44 N -2.53 2.98 -2.01 0.04 0.00 -1.03 -5.00 120.51 112.96 1x4m n ALA 44 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1x4m n ALA 44 Cb 0.39 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 1.56 0.19 3.34 0.00 0.00 0.95 -4.80 105.19 106.42 1x4m n GLY 45 Ca -0.01 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.39 0.98 -0.16 1.61 -7.23 0.27 -4.81 120.40 108.66 1x4m s VAL 46 Ca 0.00 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 1x4m s VAL 46 Cb 0.00 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1x4m s VAL 46 CO 0.00 -0.26 0.41 -0.75 -0.31 0.00 0.00 175.10 174.19 1x4m s LYS 47 N -3.89 4.25 -0.27 4.82 2.20 0.13 -4.18 119.74 122.81 1x4m s LYS 47 Ca 0.30 0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1x4m s LYS 47 Cb 0.06 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1x4m s LYS 47 CO 0.10 0.09 0.01 -1.64 -0.36 0.00 0.00 175.35 173.54 1x4m s MET 48 N 0.90 3.02 -0.12 4.03 -1.94 -1.26 -0.95 119.30 122.98 1x4m s MET 48 Ca 0.21 -0.88 -0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1x4m s MET 48 Cb -0.14 -3.17 0.03 0.00 2.01 0.00 0.00 34.83 33.55 1x4m s MET 48 CO 0.08 -0.40 -0.08 0.08 -0.01 0.00 0.00 175.02 174.70 1x4m s VAL 49 N 1.43 1.06 -0.10 -6.03 1.01 -0.20 -4.95 120.40 112.60 1x4m s VAL 49 Ca 0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1x4m s VAL 49 Cb -0.17 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1x4m s VAL 49 CO -0.01 0.35 0.96 -0.04 0.00 0.00 0.00 175.10 176.36 1x4m s MET 50 N 1.69 4.42 -0.19 2.72 -1.94 -1.26 -0.05 119.30 124.69 1x4m s MET 50 Ca 0.05 1.31 -0.16 0.00 -1.71 0.00 0.00 55.69 55.18 1x4m s MET 50 Cb -0.13 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.14 1x4m s MET 50 CO -0.08 -0.27 0.38 0.42 -0.01 0.00 0.00 175.02 175.46 1x4m s ILE 51 N 1.86 5.22 -0.17 2.53 -1.09 0.17 -4.90 121.20 124.81 1x4m s ILE 51 Ca 0.46 0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.29 1x4m s ILE 51 Cb -0.18 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1x4m s ILE 51 CO 0.18 0.28 1.08 -1.58 -1.23 0.00 0.00 174.94 173.67 1x4m s GLN 52 N 1.09 4.31 0.02 2.79 -0.44 -1.26 -3.57 119.66 122.61 1x4m s GLN 52 Ca 0.19 1.44 0.00 0.00 -2.50 0.00 0.00 55.36 54.49 1x4m s GLN 52 Cb -0.14 -3.62 0.00 0.00 -1.64 0.00 0.00 33.01 27.61 1x4m s GLN 52 CO 0.07 -0.53 0.00 -3.47 0.50 0.00 0.00 175.29 171.86 1x4m n ASP 53 N 5.87 0.05 -1.64 6.67 -0.08 -1.26 -5.02 116.55 121.13 1x4m n ASP 53 Ca 0.11 0.03 -0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1x4m n ASP 53 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4m n GLY 54 N 2.52 -0.45 3.67 0.27 0.00 -1.26 -4.98 105.19 104.96 1x4m n GLY 54 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 4.23 0.01 1.61 0.04 -1.26 -4.92 135.00 132.05 1x4m s PRO 55 Ca 0.00 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1x4m s PRO 55 Cb -0.00 -3.77 -0.29 0.00 0.04 0.00 0.00 34.50 30.49 1x4m s PRO 55 CO 0.07 -0.71 1.04 0.37 0.04 0.00 0.00 177.00 177.81 1x4m h GLN 56 N 8.57 0.48 0.01 4.56 5.75 -1.94 -3.38 115.11 129.17 1x4m h GLN 56 Ca -0.36 -0.65 -0.00 0.00 -0.15 0.00 0.00 58.65 57.48 1x4m h GLN 56 Cb 1.16 0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.93 1x4m h GLN 56 CO 0.94 1.28 -0.00 -0.91 -2.65 0.00 0.00 178.83 177.48 1x4m h ASN 57 N 0.00 -0.01 -4.21 -0.69 4.21 -2.05 -3.43 115.58 109.40 1x4m h ASN 57 Ca -0.15 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.85 1x4m h ASN 57 Cb 1.70 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 39.02 1x4m h ASN 57 CO 0.19 -0.01 0.37 0.42 -1.29 0.00 0.00 177.43 177.11 1x4m s THR 58 N -3.03 3.00 0.00 2.81 -4.23 -1.26 -4.97 115.64 107.97 1x4m s THR 58 Ca -0.00 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1x4m s THR 58 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1x4m s THR 58 CO 0.01 -0.30 0.25 0.61 -0.54 0.00 0.00 174.62 174.64 1x4m n GLY 59 N -0.35 -1.84 3.62 3.99 0.00 -1.26 -4.81 105.19 104.53 1x4m n GLY 59 Ca 0.11 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.50 -2.29 0.21 4.61 0.00 -1.26 -4.87 121.76 115.66 1x4m s ALA 60 Ca 0.00 2.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.94 1x4m s ALA 60 Cb 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1x4m s ALA 60 CO 0.00 -0.44 0.78 -0.51 0.00 0.00 0.00 175.76 175.59 1x4m s ASP 61 N 1.54 -0.29 -0.04 0.00 1.11 -1.26 -4.01 116.67 113.71 1x4m s ASP 61 Ca -0.08 -0.42 -0.01 0.00 0.18 0.00 0.00 52.55 52.21 1x4m s ASP 61 Cb -0.04 0.62 0.03 0.00 1.07 0.00 0.00 42.92 44.60 1x4m s ASP 61 CO -0.16 -1.13 0.03 -0.54 1.18 0.00 0.00 175.17 174.56 1x4m s LYS 62 N -3.67 0.15 -0.27 8.23 -0.14 0.12 -4.10 119.74 120.05 1x4m s LYS 62 Ca 0.09 0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 54.67 1x4m s LYS 62 Cb -0.04 -0.60 -0.02 0.00 -1.68 0.00 0.00 37.83 35.50 1x4m s LYS 62 CO 0.02 -0.28 1.65 -1.25 -0.76 0.00 0.00 175.35 174.72 1x4m s PRO 63 N 1.87 3.64 -0.21 -1.68 0.04 -1.23 -0.97 135.00 136.45 1x4m s PRO 63 Ca 0.02 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1x4m s PRO 63 Cb -0.12 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1x4m s PRO 63 CO -0.03 -1.48 0.40 -1.17 0.04 0.00 0.00 177.00 174.75 1x4m s LEU 64 N 5.71 4.14 -0.29 -3.56 2.96 0.70 -0.66 118.68 127.68 1x4m s LEU 64 Ca 0.73 0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 54.99 1x4m s LEU 64 Cb -0.23 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1x4m s LEU 64 CO 0.31 -0.09 0.29 -0.60 -1.32 0.00 0.00 176.35 174.93 1x4m s ARG 65 N 1.43 3.87 -0.37 1.98 3.52 0.93 -1.14 118.95 129.17 1x4m s ARG 65 Ca 0.18 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1x4m s ARG 65 Cb -0.15 -3.70 0.07 0.00 -1.56 0.00 0.00 34.95 29.61 1x4m s ARG 65 CO 0.08 -0.30 0.16 0.42 -0.81 0.00 0.00 175.30 174.86 1x4m s ILE 66 N 1.91 3.71 0.13 4.11 1.01 -0.30 -1.03 121.20 130.73 1x4m s ILE 66 Ca 0.11 -1.45 0.02 0.00 0.00 0.00 0.00 60.65 59.33 1x4m s ILE 66 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1x4m s ILE 66 CO 0.11 -0.38 0.25 0.42 0.00 0.00 0.00 174.94 175.33 1x4m s THR 67 N 1.33 5.25 0.00 2.92 -4.23 -0.12 -0.96 115.64 119.83 1x4m s THR 67 Ca 0.01 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1x4m s THR 67 Cb -0.21 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1x4m s THR 67 CO 0.01 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1x4m n GLY 68 N -0.31 -0.59 3.48 3.99 0.00 0.40 0.22 105.19 112.39 1x4m n GLY 68 Ca -0.07 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 3.58 0.36 1.61 1.11 -1.26 -1.69 116.67 116.38 1x4m s ASP 69 Ca 0.00 -1.08 0.15 0.00 0.18 0.00 0.00 52.55 51.80 1x4m s ASP 69 Cb 0.00 -0.30 0.67 0.00 1.07 0.00 0.00 42.92 44.36 1x4m s ASP 69 CO 0.00 -0.04 1.77 1.55 1.18 0.00 0.00 175.17 179.63 1x4m h PRO 70 N 2.21 0.00 0.00 8.23 0.13 -1.89 0.59 132.00 141.28 1x4m h PRO 70 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1x4m h PRO 70 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1x4m h PRO 70 CO 0.63 0.42 -1.37 0.98 -0.23 0.00 0.00 178.00 178.43 1x4m n TYR 71 N -3.84 0.78 -0.09 1.56 4.19 -1.26 -4.14 117.16 114.37 1x4m n TYR 71 Ca -0.01 0.24 -0.11 0.00 3.31 0.00 0.00 57.90 61.33 1x4m n TYR 71 Cb 0.47 -0.94 -0.04 0.00 0.49 0.00 0.00 39.34 39.32 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 -2.69 0.51 -0.30 2.98 5.02 -1.14 -3.98 118.16 118.55 1x4m n LYS 72 Ca -0.06 0.40 0.20 0.00 -2.02 0.00 0.00 58.31 56.83 1x4m n LYS 72 Cb 0.68 -1.59 0.37 0.00 -0.02 0.00 0.00 35.03 34.48 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 -4.50 -0.38 -0.23 -0.18 0.31 0.21 0.19 118.33 113.74 1x4m n VAL 73 Ca -0.17 1.93 -0.08 0.00 -0.01 0.00 0.00 64.34 66.01 1x4m n VAL 73 Cb 0.47 -2.94 0.03 0.00 -0.91 0.00 0.00 33.84 30.48 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 1.00 0.03 5.55 1.08 -1.73 -2.21 115.11 118.82 1x4m h GLN 74 Ca 0.64 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1x4m h GLN 74 Cb 1.49 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1x4m h GLN 74 CO -0.79 0.89 -0.01 1.96 -0.95 0.00 0.00 178.83 179.92 1x4m h GLN 75 N 0.92 -0.04 -0.63 1.46 1.08 0.19 -3.08 115.11 115.03 1x4m h GLN 75 Ca 0.20 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 1x4m h GLN 75 Cb 0.32 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 1x4m h GLN 75 CO -0.00 0.18 0.25 0.00 -0.95 0.00 0.00 178.83 178.31 1x4m h ALA 76 N 0.72 0.82 -1.29 3.87 0.00 -0.97 -0.31 119.26 122.09 1x4m h ALA 76 Ca -0.00 0.08 0.37 0.00 0.00 0.00 0.00 54.91 55.36 1x4m h ALA 76 Cb 0.23 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1x4m h ALA 76 CO 0.01 -0.17 0.90 -0.22 0.00 0.00 0.00 179.25 179.77 1x4m h LYS 77 N 0.44 0.09 -0.02 0.00 3.64 -1.30 0.21 116.57 119.62 1x4m h LYS 77 Ca 0.31 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1x4m h LYS 77 Cb 0.38 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1x4m h LYS 77 CO -0.30 0.06 -0.13 0.93 -2.27 0.00 0.00 179.45 177.74 1x4m h GLU 78 N 0.09 0.12 -0.90 1.90 4.39 -1.09 -0.55 114.58 118.54 1x4m h GLU 78 Ca 0.66 -0.11 0.16 0.00 0.34 0.00 0.00 59.36 60.41 1x4m h GLU 78 Cb 2.38 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.98 1x4m h GLU 78 CO -0.12 0.79 0.58 0.52 -1.16 0.00 0.00 179.01 179.62 1x4m h MET 79 N -0.50 0.62 0.09 2.33 2.86 -0.53 0.17 114.93 119.97 1x4m h MET 79 Ca -0.01 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1x4m h MET 79 Cb 0.82 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.35 1x4m h MET 79 CO 0.03 0.41 -0.52 0.28 1.06 0.00 0.00 176.91 178.16 1x4m h VAL 80 N 0.64 1.61 -0.75 -2.22 2.07 -1.37 -3.02 116.25 113.21 1x4m h VAL 80 Ca 0.46 -2.46 0.07 0.00 0.82 0.00 0.00 66.70 65.59 1x4m h VAL 80 Cb 0.83 3.26 -0.06 0.00 -1.52 0.00 0.00 31.29 33.80 1x4m h VAL 80 CO -0.21 0.67 0.43 -0.07 0.02 0.00 0.00 177.57 178.41 1x4m h LEU 81 N -0.61 0.63 -1.13 2.57 3.38 -0.48 -1.01 115.31 118.65 1x4m h LEU 81 Ca -0.09 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1x4m h LEU 81 Cb 1.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1x4m h LEU 81 CO 0.09 0.39 -0.28 -0.08 0.09 0.00 0.00 178.44 178.65 1x4m h GLU 82 N 0.76 0.26 -1.00 1.13 4.81 -0.79 -2.29 114.58 117.46 1x4m h GLU 82 Ca 0.34 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1x4m h GLU 82 Cb 0.24 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 1x4m h GLU 82 CO -0.20 0.52 0.65 1.25 -0.73 0.00 0.00 179.01 180.50 1x4m h LEU 83 N 0.23 1.07 0.00 1.64 7.12 -1.04 -1.48 115.31 122.84 1x4m h LEU 83 Ca 0.03 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1x4m h LEU 83 Cb 0.63 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1x4m h LEU 83 CO 0.05 0.71 -0.38 0.16 -0.13 0.00 0.00 178.44 178.84 1x4m h ILE 84 N 1.23 0.31 -4.14 4.05 3.07 -1.28 -3.46 117.51 117.28 1x4m h ILE 84 Ca 0.41 -1.45 -0.50 0.00 1.55 0.00 0.00 64.86 64.87 1x4m h ILE 84 Cb 0.06 2.07 0.04 0.00 -0.27 0.00 0.00 36.82 38.72 1x4m h ILE 84 CO -0.14 0.17 0.34 -0.13 -1.05 0.00 0.00 178.15 177.34 1x4m s ARG 85 N -3.13 3.69 -0.19 0.16 0.52 -0.56 -4.95 118.95 114.49 1x4m s ARG 85 Ca 0.04 0.69 -0.33 0.00 -0.52 0.00 0.00 55.73 55.62 1x4m s ARG 85 Cb 0.07 -2.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 1x4m s ARG 85 CO 0.72 -0.40 2.06 -3.47 0.02 0.00 0.00 175.30 174.24 1x4m n ASP 86 N -2.26 3.07 -4.65 0.23 -0.08 -1.26 -4.89 116.55 106.70 1x4m n ASP 86 Ca 0.05 0.61 -0.43 0.00 -1.51 0.00 0.00 54.79 53.51 1x4m n ASP 86 Cb 0.54 -1.40 -0.02 0.00 2.34 0.00 0.00 41.12 42.58 1x4m n ASP 86 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1x4m s GLN 87 N 5.30 4.11 0.00 -0.67 -0.21 -1.26 -4.97 119.66 121.96 1x4m s GLN 87 Ca 0.99 1.74 0.00 0.00 0.02 0.00 0.00 55.36 58.12 1x4m s GLN 87 Cb -0.63 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 29.50 1x4m s GLN 87 CO 0.46 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1x4m n GLY 88 N 4.01 3.57 2.83 3.09 0.00 -1.26 -5.10 105.19 112.33 1x4m n GLY 88 Ca 0.16 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 0.58 4.03 -0.28 1.61 0.15 -1.26 -5.07 113.70 113.47 1x4m s SER 89 Ca 0.00 -2.64 -0.27 0.00 0.70 0.00 0.00 55.95 53.75 1x4m s SER 89 Cb 0.00 -1.30 0.18 0.00 -1.71 0.00 0.00 66.02 63.19 1x4m s SER 89 CO 0.00 -0.28 1.33 -0.83 1.20 0.00 0.00 173.24 174.66 1x4m s GLY 90 N 0.28 0.17 -0.84 9.45 0.00 -1.26 -5.09 107.32 110.02 1x4m s GLY 90 Ca 0.16 3.11 -0.25 0.00 0.00 0.00 0.00 44.72 47.74 1x4m s GLY 90 CO -0.03 1.63 1.93 2.56 0.00 0.00 0.00 173.10 179.19 1x4m s PRO 91 N -0.32 2.57 0.23 2.90 0.04 -1.26 -4.85 135.00 134.31 1x4m s PRO 91 Ca 0.06 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.88 1x4m s PRO 91 Cb -0.04 -4.92 0.30 0.00 0.04 0.00 0.00 34.50 29.89 1x4m s PRO 91 CO -0.11 -3.24 1.46 0.45 0.04 0.00 0.00 177.00 175.60 1x4m n SER 92 N 13.72 -0.52 -4.60 6.66 2.88 -1.26 -3.91 113.62 126.59 1x4m n SER 92 Ca 0.36 1.63 -0.38 0.00 -1.33 0.00 0.00 58.87 59.15 1x4m n SER 92 Cb 0.48 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 1x4m n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4m s SER 93 N -5.31 6.13 0.00 -3.46 1.04 -1.26 -5.07 113.70 105.78 1x4m s SER 93 Ca -0.13 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1x4m s SER 93 Cb 0.21 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1x4m s SER 93 CO 0.69 -0.11 0.19 0.61 0.98 0.00 0.00 173.24 175.60