#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m n SER 2 N 0.00 3.15 -4.40 1.61 2.88 -1.26 -4.95 113.62 110.64 1x4m n SER 2 Ca 0.00 0.64 -0.21 0.00 -1.33 0.00 0.00 58.87 57.97 1x4m n SER 2 Cb 0.00 -1.40 -0.10 0.00 -0.75 0.00 0.00 64.21 61.95 1x4m n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4m s SER 3 N 5.97 2.81 -0.08 -3.46 1.04 -1.26 -5.15 113.70 113.57 1x4m s SER 3 Ca 0.99 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1x4m s SER 3 Cb -0.62 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1x4m s SER 3 CO 0.46 -0.22 -0.10 -0.83 0.98 0.00 0.00 173.24 173.53 1x4m s GLY 4 N -3.40 0.80 -0.05 7.32 0.00 -1.26 -5.03 107.32 105.69 1x4m s GLY 4 Ca 0.27 -0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.30 1x4m s GLY 4 CO 0.10 0.38 1.02 0.23 0.00 0.00 0.00 173.10 174.83 1x4m h SER 5 N 7.42 0.25 -6.24 1.64 0.87 -2.03 -3.48 113.55 111.99 1x4m h SER 5 Ca -0.31 -0.79 -0.46 0.00 -1.23 0.00 0.00 61.79 59.00 1x4m h SER 5 Cb 1.17 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1x4m h SER 5 CO 0.45 1.02 -0.79 -1.20 -0.53 0.00 0.00 176.83 175.78 1x4m n SER 6 N -4.46 -3.30 0.00 6.23 7.64 -1.26 -4.79 113.62 113.68 1x4m n SER 6 Ca -0.10 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1x4m n SER 6 Cb 0.53 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 1x4m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4m n GLY 7 N -1.67 1.70 3.23 0.23 0.00 -1.26 -5.12 105.19 102.29 1x4m n GLY 7 Ca -0.10 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1x4m n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x4m n HIS 8 N 0.00 -3.10 -1.06 1.61 -0.00 -1.26 -4.50 115.22 106.91 1x4m n HIS 8 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1x4m n HIS 8 Cb 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1x4m n HIS 8 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x4m n GLY 9 N 2.60 -0.25 3.40 -1.41 0.00 -1.26 -4.96 105.19 103.31 1x4m n GLY 9 Ca 0.06 -0.28 -0.53 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.38 -0.58 -0.23 1.61 9.92 -1.26 -4.52 116.55 121.11 1x4m n ASP 10 Ca 0.00 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 1x4m n ASP 10 Cb 0.03 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 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 1.70 -0.62 0.11 0.44 0.00 -1.26 -4.23 105.19 101.33 1x4m n GLY 11 Ca 0.19 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 0.25 -3.80 1.61 0.13 -1.99 -3.50 132.00 124.70 1x4m h PRO 12 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1x4m h PRO 12 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4m h PRO 12 CO 0.00 0.66 -0.84 0.41 -0.23 0.00 0.00 178.00 178.00 1x4m n GLY 13 N 0.20 -5.05 3.36 1.56 0.00 -1.26 -4.94 105.19 99.07 1x4m n GLY 13 Ca -0.07 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1x4m n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4m s ASN 14 N -1.04 5.33 0.04 1.61 4.22 -1.26 -4.84 114.94 119.00 1x4m s ASN 14 Ca 0.00 -0.75 -0.18 0.00 -2.14 0.00 0.00 52.86 49.78 1x4m s ASN 14 Cb 0.00 -1.93 -0.06 0.00 1.28 0.00 0.00 41.25 40.54 1x4m s ASN 14 CO 0.00 -0.23 0.53 0.00 -2.04 0.00 0.00 177.10 175.35 1x4m s ALA 15 N 1.52 3.60 -0.01 3.54 0.00 -1.08 -4.92 121.76 124.42 1x4m s ALA 15 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1x4m s ALA 15 Cb -0.18 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1x4m s ALA 15 CO 0.04 0.37 -0.03 0.54 0.00 0.00 0.00 175.76 176.68 1x4m s VAL 16 N -0.90 0.29 -0.05 0.00 0.11 -1.26 -0.82 120.40 117.77 1x4m s VAL 16 Ca 0.28 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1x4m s VAL 16 Cb -0.18 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1x4m s VAL 16 CO 0.17 0.11 -0.09 -1.10 -3.33 0.00 0.00 175.10 170.86 1x4m s GLN 17 N 0.18 1.26 -0.11 1.54 -1.52 -0.25 -4.95 119.66 115.81 1x4m s GLN 17 Ca -0.02 -0.27 -0.04 0.00 -1.95 0.00 0.00 55.36 53.09 1x4m s GLN 17 Cb -0.05 -1.11 -0.03 0.00 -0.22 0.00 0.00 33.01 31.59 1x4m s GLN 17 CO -0.00 -0.01 0.03 -1.21 -0.25 0.00 0.00 175.29 173.84 1x4m s GLU 18 N 0.72 3.26 0.26 2.91 2.02 -1.26 -0.90 118.70 125.72 1x4m s GLU 18 Ca -0.13 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1x4m s GLU 18 Cb -0.15 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 1x4m s GLU 18 CO 0.02 0.61 0.11 0.96 0.02 0.00 0.00 175.26 176.98 1x4m s ILE 19 N -0.60 0.50 -0.24 -1.63 -0.00 -0.24 -4.93 121.20 114.05 1x4m s ILE 19 Ca 0.10 -2.00 -0.10 0.00 -0.00 0.00 0.00 60.65 58.66 1x4m s ILE 19 Cb -0.12 -2.61 -0.05 0.00 -0.00 0.00 0.00 42.46 39.69 1x4m s ILE 19 CO 0.02 0.00 0.13 -0.04 -0.00 0.00 0.00 174.94 175.05 1x4m s MET 20 N -4.00 3.97 -0.13 0.37 -1.94 -1.26 0.01 119.30 116.32 1x4m s MET 20 Ca 0.37 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1x4m s MET 20 Cb 0.07 -3.46 0.02 0.00 2.01 0.00 0.00 34.83 33.47 1x4m s MET 20 CO 0.14 0.03 -0.15 0.42 -0.01 0.00 0.00 175.02 175.45 1x4m s ILE 21 N 1.11 1.60 0.05 2.53 -1.09 -0.02 -4.94 121.20 120.45 1x4m s ILE 21 Ca 0.06 -0.67 -0.31 0.00 -2.23 0.00 0.00 60.65 57.50 1x4m s ILE 21 Cb -0.14 -1.47 -0.07 0.00 -1.58 0.00 0.00 42.46 39.20 1x4m s ILE 21 CO 0.05 0.46 1.41 -2.16 -1.23 0.00 0.00 174.94 173.46 1x4m s PRO 22 N 1.23 4.30 0.62 2.79 0.04 -1.26 0.23 135.00 142.95 1x4m s PRO 22 Ca -0.01 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.31 1x4m s PRO 22 Cb -0.14 -3.43 1.18 0.00 0.04 0.00 0.00 34.50 32.15 1x4m s PRO 22 CO -0.06 -0.52 1.64 0.00 0.04 0.00 0.00 177.00 178.10 1x4m h ALA 23 N 7.41 2.11 -0.19 8.56 0.00 -1.90 0.78 119.26 136.04 1x4m h ALA 23 Ca -0.40 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1x4m h ALA 23 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1x4m h ALA 23 CO 0.88 -0.89 -0.55 0.66 0.00 0.00 0.00 179.25 179.35 1x4m h SER 24 N 0.00 0.63 0.50 0.00 4.64 -1.91 -3.20 113.55 114.20 1x4m h SER 24 Ca 0.19 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1x4m h SER 24 Cb 1.56 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1x4m h SER 24 CO -0.00 1.05 -1.52 0.29 -0.87 0.00 0.00 176.83 175.78 1x4m n LYS 25 N -3.96 0.63 -0.21 4.77 4.76 0.24 -4.35 118.16 120.04 1x4m n LYS 25 Ca -0.03 -0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 1x4m n LYS 25 Cb 0.61 -1.68 0.06 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 h ALA 26 N 1.93 0.39 0.00 7.82 0.00 -0.53 0.81 119.26 129.68 1x4m h ALA 26 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x4m h ALA 26 Cb 1.08 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1x4m h ALA 26 CO 0.00 -0.44 0.00 0.78 0.00 0.00 0.00 179.25 179.59 1x4m h GLY 27 N -0.01 0.00 0.68 0.00 0.00 -1.76 0.36 103.07 102.34 1x4m h GLY 27 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.27 1x4m h GLY 27 CO -0.66 0.00 -1.95 1.41 0.00 0.00 0.00 176.54 175.35 1x4m h LEU 28 N 0.00 0.42 0.00 3.11 4.07 0.23 -2.33 115.31 120.81 1x4m h LEU 28 Ca 0.00 -0.91 -0.13 0.00 0.08 0.00 0.00 57.88 56.93 1x4m h LEU 28 Cb 0.24 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1x4m h LEU 28 CO 0.00 1.81 -0.81 1.62 -1.08 0.00 0.00 178.44 179.97 1x4m h VAL 29 N 0.07 0.76 0.00 1.22 3.04 -0.27 -3.38 116.25 117.69 1x4m h VAL 29 Ca -0.40 -2.17 -0.07 0.00 -1.01 0.00 0.00 66.70 63.05 1x4m h VAL 29 Cb 2.04 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 33.61 1x4m h VAL 29 CO 0.10 0.43 -0.80 -0.38 -1.01 0.00 0.00 177.57 175.92 1x4m n ILE 30 N -3.11 1.45 -0.00 3.17 5.41 0.13 -1.40 119.36 125.00 1x4m n ILE 30 Ca -0.02 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1x4m n ILE 30 Cb 0.77 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 1.55 -3.46 3.58 7.39 0.00 -0.88 -1.77 105.19 111.61 1x4m n GLY 31 Ca -0.15 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1x4m n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4m s LYS 32 N -1.00 3.38 -0.73 1.61 1.02 -1.26 -3.30 119.74 119.45 1x4m s LYS 32 Ca 0.00 0.64 -0.04 0.00 0.02 0.00 0.00 55.97 56.59 1x4m s LYS 32 Cb 0.00 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1x4m s LYS 32 CO 0.00 -1.83 0.50 0.41 -0.92 0.00 0.00 175.35 173.51 1x4m n GLY 33 N 5.21 0.15 3.46 -3.33 0.00 -1.26 -3.66 105.19 105.76 1x4m n GLY 33 Ca 0.14 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.22 -0.87 0.12 -0.02 0.00 -1.21 -4.94 105.19 97.05 1x4m n GLY 34 Ca -0.02 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.77 0.72 -0.01 1.61 0.28 -1.03 -3.86 120.64 114.58 1x4m n GLU 35 Ca -0.14 0.27 -0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1x4m n GLU 35 Cb 0.63 -1.74 -0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 -0.99 3.84 2.02 -1.60 -3.35 112.91 112.88 1x4m h THR 36 Ca -0.38 -0.14 0.34 0.00 0.77 0.00 0.00 66.41 67.01 1x4m h THR 36 Cb 2.03 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.27 1x4m h THR 36 CO 0.09 0.00 0.36 -0.29 0.37 0.00 0.00 175.52 176.05 1x4m h ILE 37 N -0.14 0.07 -0.85 3.11 2.10 -1.04 0.86 117.51 121.63 1x4m h ILE 37 Ca 0.00 -0.02 0.15 0.00 1.08 0.00 0.00 64.86 66.07 1x4m h ILE 37 Cb 0.05 0.00 -0.10 0.00 -1.09 0.00 0.00 36.82 35.69 1x4m h ILE 37 CO 0.00 0.01 0.43 0.50 -1.08 0.00 0.00 178.15 178.01 1x4m h LYS 38 N 0.07 0.59 0.00 2.19 3.64 -1.75 0.13 116.57 121.42 1x4m h LYS 38 Ca 0.73 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.95 1x4m h LYS 38 Cb 1.76 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1x4m h LYS 38 CO -0.78 0.39 -0.60 1.96 -2.27 0.00 0.00 179.45 178.14 1x4m h GLN 39 N 0.60 0.00 0.00 1.90 1.08 0.59 -2.86 115.11 116.41 1x4m h GLN 39 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1x4m h GLN 39 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1x4m h GLN 39 CO -0.38 0.60 0.00 -0.07 -0.95 0.00 0.00 178.83 178.04 1x4m h LEU 40 N 0.00 0.00 -0.33 1.46 3.38 -0.10 -1.45 115.31 118.28 1x4m h LEU 40 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1x4m h LEU 40 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1x4m h LEU 40 CO 0.08 0.00 -0.41 1.56 0.09 0.00 0.00 178.44 179.76 1x4m h GLN 41 N 0.00 0.00 0.11 1.13 4.20 -1.24 -3.17 115.11 116.14 1x4m h GLN 41 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1x4m h GLN 41 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1x4m h GLN 41 CO 0.00 0.41 -1.72 0.93 -0.67 0.00 0.00 178.83 177.78 1x4m h GLU 42 N 0.00 0.23 -0.33 1.46 4.39 -1.42 0.32 114.58 119.23 1x4m h GLU 42 Ca -0.00 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1x4m h GLU 42 Cb 1.19 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1x4m h GLU 42 CO 0.05 1.06 0.18 0.00 -1.16 0.00 0.00 179.01 179.15 1x4m h ARG 43 N 0.06 0.44 0.00 2.33 3.08 -1.57 -2.99 114.38 115.74 1x4m h ARG 43 Ca -0.31 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1x4m h ARG 43 Cb 2.03 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 1x4m h ARG 43 CO 0.13 0.33 -1.59 0.00 -1.07 0.00 0.00 179.97 177.77 1x4m n ALA 44 N -2.49 2.41 -1.26 0.04 0.00 -1.20 -5.01 120.51 113.01 1x4m n ALA 44 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1x4m n ALA 44 Cb 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.83 0.40 3.38 0.00 0.00 0.97 -4.83 105.19 106.93 1x4m n GLY 45 Ca -0.03 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 1.79 -0.12 1.61 -7.23 -0.19 -4.77 120.40 109.49 1x4m s VAL 46 Ca 0.00 -2.21 -0.20 0.00 -1.81 0.00 0.00 61.98 57.76 1x4m s VAL 46 Cb 0.00 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1x4m s VAL 46 CO 0.00 -0.50 0.55 -0.75 -0.31 0.00 0.00 175.10 174.09 1x4m s LYS 47 N -3.65 4.34 -0.21 4.82 2.20 0.14 -4.17 119.74 123.21 1x4m s LYS 47 Ca 0.25 0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1x4m s LYS 47 Cb -0.00 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1x4m s LYS 47 CO 0.09 0.07 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.46 1x4m s MET 48 N 0.87 3.40 -0.07 4.03 -1.94 -1.26 -1.25 119.30 123.08 1x4m s MET 48 Ca 0.29 -0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 53.63 1x4m s MET 48 Cb -0.16 -2.97 0.03 0.00 2.01 0.00 0.00 34.83 33.75 1x4m s MET 48 CO 0.12 -0.12 0.04 0.08 -0.01 0.00 0.00 175.02 175.13 1x4m s VAL 49 N 1.29 0.09 0.10 -6.03 1.01 -0.49 -4.94 120.40 111.44 1x4m s VAL 49 Ca 0.03 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1x4m s VAL 49 Cb -0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1x4m s VAL 49 CO -0.02 0.14 1.14 -0.04 0.00 0.00 0.00 175.10 176.32 1x4m s MET 50 N 2.08 4.50 0.04 2.72 -1.94 -1.26 -1.49 119.30 123.95 1x4m s MET 50 Ca 0.04 1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 55.71 1x4m s MET 50 Cb -0.13 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1x4m s MET 50 CO -0.05 -0.11 0.24 0.42 -0.01 0.00 0.00 175.02 175.52 1x4m s ILE 51 N 0.54 5.35 -0.48 2.53 -1.09 -0.12 -4.91 121.20 123.02 1x4m s ILE 51 Ca 0.54 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1x4m s ILE 51 Cb -0.29 -3.58 0.14 0.00 -1.58 0.00 0.00 42.46 37.15 1x4m s ILE 51 CO 0.31 0.25 0.28 -1.58 -1.23 0.00 0.00 174.94 172.97 1x4m s GLN 52 N -2.14 1.51 1.27 2.79 0.74 -1.26 -3.93 119.66 118.64 1x4m s GLN 52 Ca 0.31 -2.27 -0.16 0.00 0.05 0.00 0.00 55.36 53.28 1x4m s GLN 52 Cb -0.13 -2.56 0.31 0.00 1.10 0.00 0.00 33.01 31.74 1x4m s GLN 52 CO 0.21 -1.18 0.89 -3.47 -0.55 0.00 0.00 175.29 171.19 1x4m n ASP 53 N 3.23 -2.57 0.19 6.67 2.03 -1.26 -4.97 116.55 119.86 1x4m n ASP 53 Ca 0.11 -0.39 -0.08 0.00 0.52 0.00 0.00 54.79 54.95 1x4m n ASP 53 Cb 0.35 -1.15 -0.04 0.00 -0.72 0.00 0.00 41.12 39.56 1x4m n ASP 53 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1x4m h GLY 54 N -2.96 -0.52 -7.46 0.27 0.00 -2.04 -3.37 103.07 86.98 1x4m h GLY 54 Ca -0.56 0.19 -0.33 0.00 0.00 0.00 0.00 47.33 46.63 1x4m h GLY 54 CO 0.42 -0.19 1.08 2.56 0.00 0.00 0.00 176.54 180.41 1x4m s PRO 55 N -3.51 2.50 -0.09 4.80 0.04 -1.26 -4.66 135.00 132.81 1x4m s PRO 55 Ca -0.07 -1.17 -0.16 0.00 0.04 0.00 0.00 61.00 59.64 1x4m s PRO 55 Cb 0.01 -5.25 -0.28 0.00 0.04 0.00 0.00 34.50 29.02 1x4m s PRO 55 CO 0.22 -3.98 0.60 1.96 0.04 0.00 0.00 177.00 175.83 1x4m h GLN 56 N 9.71 0.27 -0.52 4.56 1.08 -1.96 -3.38 115.11 124.87 1x4m h GLN 56 Ca 0.22 -0.45 0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1x4m h GLN 56 Cb 0.94 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 1x4m h GLN 56 CO 1.23 1.22 -0.31 -1.71 -0.95 0.00 0.00 178.83 178.30 1x4m n ASN 57 N -3.90 -0.55 -4.01 1.46 2.85 -1.26 -4.40 115.26 105.44 1x4m n ASN 57 Ca -0.24 1.16 -0.57 0.00 -0.11 0.00 0.00 54.58 54.82 1x4m n ASN 57 Cb 0.91 -0.24 -0.09 0.00 1.24 0.00 0.00 39.78 41.61 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 -4.27 0.00 -2.46 -0.44 5.66 -1.26 -4.50 114.28 107.01 1x4m n THR 58 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1x4m n THR 58 Cb 0.14 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 4.13 -0.20 2.68 1.09 0.00 -1.26 -4.64 105.19 106.99 1x4m n GLY 59 Ca 0.31 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.49 1.62 -0.12 4.61 0.00 -1.26 -5.02 121.76 120.10 1x4m s ALA 60 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 51.96 49.67 1x4m s ALA 60 Cb 0.00 -1.70 0.11 0.00 0.00 0.00 0.00 23.12 21.53 1x4m s ALA 60 CO 0.00 -1.87 0.93 0.16 0.00 0.00 0.00 175.76 174.98 1x4m s ASP 61 N 1.12 -0.42 -0.06 0.00 1.47 -1.26 -4.35 116.67 113.18 1x4m s ASP 61 Ca 0.14 0.40 0.00 0.00 1.18 0.00 0.00 52.55 54.26 1x4m s ASP 61 Cb -0.21 0.35 0.02 0.00 -0.34 0.00 0.00 42.92 42.75 1x4m s ASP 61 CO -0.13 -0.43 -0.03 -0.54 0.68 0.00 0.00 175.17 174.72 1x4m s LYS 62 N -1.41 0.81 -0.11 2.11 -0.14 0.14 -4.88 119.74 116.25 1x4m s LYS 62 Ca -0.02 -0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.25 1x4m s LYS 62 Cb -0.00 -0.96 -0.04 0.00 -1.68 0.00 0.00 37.83 35.15 1x4m s LYS 62 CO 0.01 -0.18 1.54 -1.25 -0.76 0.00 0.00 175.35 174.71 1x4m s PRO 63 N 1.37 4.13 -0.22 -1.68 0.04 -1.25 -0.84 135.00 136.56 1x4m s PRO 63 Ca -0.04 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 1x4m s PRO 63 Cb -0.13 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1x4m s PRO 63 CO -0.03 -0.88 0.28 -1.17 0.04 0.00 0.00 177.00 175.24 1x4m s LEU 64 N 4.07 4.14 -0.21 -3.56 2.96 0.10 -0.94 118.68 125.24 1x4m s LEU 64 Ca 0.68 0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.81 1x4m s LEU 64 Cb -0.29 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 1x4m s LEU 64 CO 0.25 0.00 0.16 -0.60 -1.32 0.00 0.00 176.35 174.85 1x4m s ARG 65 N 1.12 4.17 -0.28 1.98 3.52 -0.56 -1.08 118.95 127.82 1x4m s ARG 65 Ca 0.13 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1x4m s ARG 65 Cb -0.14 -3.45 0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1x4m s ARG 65 CO 0.06 0.22 -0.04 0.42 -0.81 0.00 0.00 175.30 175.15 1x4m s ILE 66 N 0.57 2.00 0.01 4.11 1.01 -0.08 -1.39 121.20 127.44 1x4m s ILE 66 Ca 0.09 -1.75 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 1x4m s ILE 66 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1x4m s ILE 66 CO 0.00 -0.24 0.13 0.42 0.00 0.00 0.00 174.94 175.25 1x4m s THR 67 N 1.13 4.99 0.00 2.92 -4.23 -0.38 -1.09 115.64 118.97 1x4m s THR 67 Ca -0.02 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1x4m s THR 67 Cb -0.19 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1x4m s THR 67 CO -0.07 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1x4m n GLY 68 N 0.89 -0.70 3.66 3.99 0.00 -0.00 0.23 105.19 113.25 1x4m n GLY 68 Ca -0.11 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 4.68 0.38 1.61 1.01 -1.26 -2.62 116.67 116.47 1x4m s ASP 69 Ca 0.00 -0.48 0.17 0.00 0.71 0.00 0.00 52.55 52.95 1x4m s ASP 69 Cb 0.00 -0.95 0.75 0.00 1.01 0.00 0.00 42.92 43.73 1x4m s ASP 69 CO 0.00 0.06 1.79 1.55 0.21 0.00 0.00 175.17 178.78 1x4m h PRO 70 N 2.43 0.00 0.00 8.23 0.13 -1.88 0.63 132.00 141.53 1x4m h PRO 70 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1x4m h PRO 70 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1x4m h PRO 70 CO 0.58 0.37 -1.47 0.98 -0.23 0.00 0.00 178.00 178.23 1x4m n TYR 71 N -3.75 0.66 -0.10 1.56 4.19 -1.26 -4.18 117.16 114.28 1x4m n TYR 71 Ca -0.01 0.20 -0.15 0.00 3.31 0.00 0.00 57.90 61.25 1x4m n TYR 71 Cb 0.46 -0.88 -0.06 0.00 0.49 0.00 0.00 39.34 39.34 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 -2.63 0.53 -0.32 2.98 5.02 -1.14 -4.02 118.16 118.57 1x4m n LYS 72 Ca -0.06 0.41 0.27 0.00 -2.02 0.00 0.00 58.31 56.91 1x4m n LYS 72 Cb 0.68 -1.60 0.50 0.00 -0.02 0.00 0.00 35.03 34.60 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 -4.46 -0.41 -0.11 -0.18 0.31 0.22 0.21 118.33 113.91 1x4m n VAL 73 Ca -0.25 2.04 -0.06 0.00 -0.01 0.00 0.00 64.34 66.07 1x4m n VAL 73 Cb 0.56 -3.22 0.13 0.00 -0.91 0.00 0.00 33.84 30.39 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 0.80 0.53 5.55 1.08 -1.74 -2.57 115.11 118.76 1x4m h GLN 74 Ca 0.77 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.70 1x4m h GLN 74 Cb 1.96 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 29.32 1x4m h GLN 74 CO -0.80 0.86 -0.25 1.96 -0.95 0.00 0.00 178.83 179.64 1x4m h GLN 75 N 0.73 -0.68 -0.89 1.46 1.08 0.24 -3.23 115.11 113.81 1x4m h GLN 75 Ca 0.13 0.05 0.24 0.00 -1.45 0.00 0.00 58.65 57.62 1x4m h GLN 75 Cb 0.55 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 28.00 1x4m h GLN 75 CO 0.03 -0.42 0.31 0.00 -0.95 0.00 0.00 178.83 177.81 1x4m h ALA 76 N -1.06 1.39 -1.01 3.87 0.00 -1.17 0.36 119.26 121.64 1x4m h ALA 76 Ca -0.07 0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.28 1x4m h ALA 76 Cb 0.58 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1x4m h ALA 76 CO 0.12 -0.45 0.61 -0.22 0.00 0.00 0.00 179.25 179.31 1x4m h LYS 77 N 0.27 0.56 -0.56 0.00 3.64 -1.48 0.22 116.57 119.22 1x4m h LYS 77 Ca 0.57 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.82 1x4m h LYS 77 Cb 1.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1x4m h LYS 77 CO -0.61 0.37 -0.04 0.93 -2.27 0.00 0.00 179.45 177.83 1x4m h GLU 78 N 0.57 1.02 -0.65 1.90 5.08 -0.32 -0.09 114.58 122.09 1x4m h GLU 78 Ca 0.63 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1x4m h GLU 78 Cb 1.23 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1x4m h GLU 78 CO -0.44 1.03 0.40 0.52 -1.00 0.00 0.00 179.01 179.52 1x4m h MET 79 N 0.90 0.88 0.20 2.33 2.86 -0.47 -1.15 114.93 120.47 1x4m h MET 79 Ca 0.15 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1x4m h MET 79 Cb 0.59 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1x4m h MET 79 CO 0.04 0.63 -0.09 0.28 1.06 0.00 0.00 176.91 178.82 1x4m h VAL 80 N 0.89 0.80 -1.01 -2.22 2.07 -1.18 -2.50 116.25 113.10 1x4m h VAL 80 Ca 0.23 -1.00 0.24 0.00 0.82 0.00 0.00 66.70 66.99 1x4m h VAL 80 Cb -0.03 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1x4m h VAL 80 CO -0.04 0.19 0.64 -0.07 0.02 0.00 0.00 177.57 178.31 1x4m h LEU 81 N -0.84 0.54 -0.67 2.57 3.38 -0.99 0.66 115.31 119.97 1x4m h LEU 81 Ca -0.03 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1x4m h LEU 81 Cb 0.52 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1x4m h LEU 81 CO 0.04 0.14 -0.42 -0.08 0.09 0.00 0.00 178.44 178.22 1x4m h GLU 82 N 0.50 0.00 -0.21 1.13 4.57 -1.22 -2.66 114.58 116.69 1x4m h GLU 82 Ca 0.58 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.68 1x4m h GLU 82 Cb 1.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1x4m h GLU 82 CO -0.32 0.42 -0.20 1.25 -1.18 0.00 0.00 179.01 178.97 1x4m h LEU 83 N 0.00 0.37 0.00 1.64 7.12 0.81 -2.64 115.31 122.60 1x4m h LEU 83 Ca -0.00 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1x4m h LEU 83 Cb 1.05 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1x4m h LEU 83 CO 0.05 0.59 -0.80 0.16 -0.13 0.00 0.00 178.44 178.31 1x4m h ILE 84 N 0.34 0.00 -4.32 4.05 3.07 -1.39 -3.47 117.51 115.79 1x4m h ILE 84 Ca 0.06 -0.83 -0.48 0.00 1.55 0.00 0.00 64.86 65.15 1x4m h ILE 84 Cb 0.56 1.39 0.11 0.00 -0.27 0.00 0.00 36.82 38.61 1x4m h ILE 84 CO 0.04 0.00 0.34 -0.13 -1.05 0.00 0.00 178.15 177.35 1x4m s ARG 85 N -3.29 2.01 -0.22 0.16 0.52 -1.00 -4.99 118.95 112.14 1x4m s ARG 85 Ca 0.02 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.73 1x4m s ARG 85 Cb 0.10 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.66 1x4m s ARG 85 CO 0.76 -1.65 -0.06 0.34 0.02 0.00 0.00 175.30 174.71 1x4m s ASP 86 N -4.02 4.18 0.56 0.23 -1.08 -1.26 -4.98 116.67 110.31 1x4m s ASP 86 Ca 0.61 -0.51 -0.20 0.00 -0.52 0.00 0.00 52.55 51.93 1x4m s ASP 86 Cb -0.14 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 1x4m s ASP 86 CO 0.53 -0.04 1.22 -1.58 0.52 0.00 0.00 175.17 175.82 1x4m s GLN 87 N 1.43 3.13 0.36 4.34 0.74 -1.26 -4.81 119.66 123.60 1x4m s GLN 87 Ca 0.05 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.32 1x4m s GLN 87 Cb -0.15 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.92 1x4m s GLN 87 CO -0.05 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 1x4m n GLY 88 N 0.51 -2.09 3.00 2.59 0.00 -1.26 -4.87 105.19 103.07 1x4m n GLY 88 Ca 0.12 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.51 2.73 0.08 1.61 0.15 -1.26 -5.13 113.70 108.36 1x4m s SER 89 Ca 0.00 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.19 1x4m s SER 89 Cb 0.00 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1x4m s SER 89 CO 0.00 -0.08 -0.12 -0.83 1.20 0.00 0.00 173.24 173.41 1x4m s GLY 90 N 1.51 1.73 0.16 9.45 0.00 -1.26 -5.01 107.32 113.91 1x4m s GLY 90 Ca 0.04 -1.21 0.20 0.00 0.00 0.00 0.00 44.72 43.75 1x4m s GLY 90 CO -0.10 -1.15 1.61 -1.55 0.00 0.00 0.00 173.10 171.91 1x4m n PRO 91 N 1.03 0.12 -3.75 2.90 -0.04 -1.26 -4.63 135.00 129.37 1x4m n PRO 91 Ca -0.15 0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 1x4m n PRO 91 Cb 0.52 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1x4m n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4m s SER 92 N -3.78 5.92 -1.14 3.54 0.15 -1.26 -5.03 113.70 112.09 1x4m s SER 92 Ca 0.05 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.59 1x4m s SER 92 Cb 0.09 -2.06 0.09 0.00 -1.71 0.00 0.00 66.02 62.44 1x4m s SER 92 CO 0.34 0.09 1.50 -0.44 1.20 0.00 0.00 173.24 175.93 1x4m s SER 93 N 0.92 6.75 0.00 5.45 0.01 -1.26 -5.18 113.70 120.39 1x4m s SER 93 Ca 0.06 -2.20 0.00 0.00 1.31 0.00 0.00 55.95 55.12 1x4m s SER 93 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1x4m s SER 93 CO 0.03 -1.17 0.29 0.61 0.41 0.00 0.00 173.24 173.41