#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 -0.51 0.74 1.61 0.01 -1.26 -5.17 113.70 109.13 1x4m s SER 2 Ca 0.00 0.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.06 1x4m s SER 2 Cb 0.00 0.86 0.04 0.00 0.21 0.00 0.00 66.02 67.13 1x4m s SER 2 CO 0.00 -0.18 1.11 -0.44 0.41 0.00 0.00 173.24 174.15 1x4m s SER 3 N 0.82 5.12 -0.51 2.44 0.01 -1.26 -4.95 113.70 115.37 1x4m s SER 3 Ca -0.05 1.10 -0.27 0.00 1.31 0.00 0.00 55.95 58.04 1x4m s SER 3 Cb -0.06 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 1x4m s SER 3 CO -0.06 -1.55 1.74 -0.83 0.41 0.00 0.00 173.24 172.95 1x4m s GLY 4 N -4.32 0.53 0.44 3.44 0.00 -1.26 -4.98 107.32 101.18 1x4m s GLY 4 Ca 0.59 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 45.02 1x4m s GLY 4 CO 0.52 3.23 0.46 -0.45 0.00 0.00 0.00 173.10 176.86 1x4m s SER 5 N 6.67 5.18 -0.18 1.64 0.15 -1.26 -5.12 113.70 120.78 1x4m s SER 5 Ca 0.68 -0.71 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x4m s SER 5 Cb -0.15 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1x4m s SER 5 CO 0.26 -0.77 -0.06 -0.44 1.20 0.00 0.00 173.24 173.42 1x4m s SER 6 N -4.24 3.04 0.00 5.45 0.01 -1.26 -5.07 113.70 111.63 1x4m s SER 6 Ca 0.50 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1x4m s SER 6 Cb -0.05 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.19 1x4m s SER 6 CO 0.30 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x4m n GLY 7 N 4.82 4.63 3.57 3.44 0.00 -1.26 -5.17 105.19 115.22 1x4m n GLY 7 Ca -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.84 -0.29 1.12 1.61 5.65 -1.26 -5.18 115.29 116.10 1x4m s HIS 8 Ca 0.00 0.56 -0.18 0.00 0.25 0.00 0.00 55.06 55.69 1x4m s HIS 8 Cb 0.00 0.18 0.26 0.00 -1.18 0.00 0.00 32.58 31.83 1x4m s HIS 8 CO 0.00 -0.14 1.18 0.20 -0.65 0.00 0.00 174.74 175.33 1x4m s GLY 9 N 1.40 1.65 -0.21 1.59 0.00 -1.26 -5.09 107.32 105.39 1x4m s GLY 9 Ca -0.07 -1.04 -0.32 0.00 0.00 0.00 0.00 44.72 43.30 1x4m s GLY 9 CO -0.13 -0.19 1.20 0.51 0.00 0.00 0.00 173.10 174.49 1x4m s ASP 10 N -4.23 -0.17 0.00 1.64 1.47 -1.26 -5.09 116.67 109.03 1x4m s ASP 10 Ca 0.72 0.11 0.00 0.00 1.18 0.00 0.00 52.55 54.56 1x4m s ASP 10 Cb -0.08 0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.66 1x4m s ASP 10 CO 0.55 -0.21 0.00 0.61 0.68 0.00 0.00 175.17 176.80 1x4m n GLY 11 N 0.31 0.64 0.21 2.12 0.00 -1.26 -5.00 105.19 102.20 1x4m n GLY 11 Ca -0.03 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 -7.69 1.61 0.13 -2.05 -3.45 132.00 120.55 1x4m h PRO 12 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1x4m h PRO 12 Cb 0.18 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.44 1x4m h PRO 12 CO 0.00 0.31 0.39 0.20 -0.23 0.00 0.00 178.00 178.67 1x4m s GLY 13 N -4.31 1.72 -0.04 1.56 0.00 -1.26 -4.93 107.32 100.07 1x4m s GLY 13 Ca -0.01 -1.07 -0.38 0.00 0.00 0.00 0.00 44.72 43.26 1x4m s GLY 13 CO 0.67 -0.41 1.06 0.70 0.00 0.00 0.00 173.10 175.12 1x4m n ASN 14 N -3.54 0.09 -4.85 1.64 3.02 -1.26 -4.83 115.26 105.54 1x4m n ASN 14 Ca 0.13 1.10 -0.35 0.00 -0.03 0.00 0.00 54.58 55.43 1x4m n ASN 14 Cb 0.60 -0.87 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4m s ALA 15 N 0.25 3.63 -0.04 5.41 0.00 0.05 -4.89 121.76 126.17 1x4m s ALA 15 Ca 0.87 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1x4m s ALA 15 Cb -1.22 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1x4m s ALA 15 CO 0.56 0.49 0.03 0.54 0.00 0.00 0.00 175.76 177.38 1x4m s VAL 16 N -1.45 0.06 -0.19 0.00 0.11 -1.26 -0.29 120.40 117.38 1x4m s VAL 16 Ca 0.36 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1x4m s VAL 16 Cb -0.15 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1x4m s VAL 16 CO 0.19 0.16 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.84 1x4m s GLN 17 N 1.57 2.88 -0.16 1.54 -1.52 0.80 -4.92 119.66 119.86 1x4m s GLN 17 Ca -0.02 -0.91 -0.07 0.00 -1.95 0.00 0.00 55.36 52.41 1x4m s GLN 17 Cb -0.13 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 1x4m s GLN 17 CO -0.03 -0.27 0.10 -1.21 -0.25 0.00 0.00 175.29 173.64 1x4m s GLU 18 N 1.26 3.75 0.20 2.91 2.02 -1.26 -0.88 118.70 126.70 1x4m s GLU 18 Ca 0.03 -0.24 0.02 0.00 0.02 0.00 0.00 54.97 54.80 1x4m s GLU 18 Cb -0.14 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 1x4m s GLU 18 CO -0.12 0.50 0.03 0.96 0.02 0.00 0.00 175.26 176.65 1x4m s ILE 19 N -0.25 0.70 -0.20 -1.63 -0.00 -0.34 -4.94 121.20 114.53 1x4m s ILE 19 Ca 0.10 -1.99 -0.15 0.00 -0.00 0.00 0.00 60.65 58.61 1x4m s ILE 19 Cb -0.12 -2.29 -0.04 0.00 -0.00 0.00 0.00 42.46 40.01 1x4m s ILE 19 CO 0.01 -0.33 0.35 0.00 -0.00 0.00 0.00 174.94 174.97 1x4m s MET 20 N -3.94 4.16 -0.13 0.37 0.23 -1.26 0.29 119.30 119.02 1x4m s MET 20 Ca 0.28 0.11 0.02 0.00 -1.03 0.00 0.00 55.69 55.08 1x4m s MET 20 Cb 0.06 -3.53 0.01 0.00 -1.53 0.00 0.00 34.83 29.85 1x4m s MET 20 CO 0.07 -0.00 -0.19 0.42 -2.03 0.00 0.00 175.02 173.29 1x4m s ILE 21 N 1.20 1.81 -0.15 3.16 -1.09 0.06 -4.92 121.20 121.27 1x4m s ILE 21 Ca 0.17 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.47 1x4m s ILE 21 Cb -0.14 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1x4m s ILE 21 CO 0.07 0.50 1.56 -2.16 -1.23 0.00 0.00 174.94 173.68 1x4m s PRO 22 N 0.93 4.03 0.46 2.79 0.04 -1.26 0.00 135.00 141.99 1x4m s PRO 22 Ca -0.06 1.86 0.39 0.00 0.04 0.00 0.00 61.00 63.24 1x4m s PRO 22 Cb -0.15 -3.96 1.47 0.00 0.04 0.00 0.00 34.50 31.90 1x4m s PRO 22 CO -0.03 -1.00 1.39 0.00 0.04 0.00 0.00 177.00 177.40 1x4m n ALA 23 N 7.57 1.52 0.09 8.56 0.00 -1.26 0.11 120.51 137.11 1x4m n ALA 23 Ca 0.17 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 54.13 1x4m n ALA 23 Cb 0.44 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 1x4m n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4m h SER 24 N 0.00 -0.15 0.36 0.00 0.87 -1.95 -2.59 113.55 110.09 1x4m h SER 24 Ca 0.82 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1x4m h SER 24 Cb 3.07 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 65.07 1x4m h SER 24 CO -0.16 0.01 -0.07 0.29 -0.53 0.00 0.00 176.83 176.37 1x4m n LYS 25 N -5.11 0.69 -0.16 2.24 4.76 0.31 -3.83 118.16 117.05 1x4m n LYS 25 Ca -0.08 -0.18 -0.08 0.00 -2.87 0.00 0.00 58.31 55.09 1x4m n LYS 25 Cb 0.14 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 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 3.63 0.61 0.00 7.82 0.00 -0.43 -1.68 119.26 129.20 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 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x4m h ALA 26 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1x4m n GLY 27 N -0.90 -0.73 0.12 0.00 0.00 -1.24 -2.06 105.19 100.38 1x4m n GLY 27 Ca 0.01 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.93 1.93 0.16 0.99 4.32 -0.67 -2.95 117.00 119.86 1x4m n LEU 28 Ca 0.15 0.37 0.13 0.00 -0.02 0.00 0.00 56.01 56.64 1x4m n LEU 28 Cb 0.07 -0.86 0.38 0.00 -1.62 0.00 0.00 43.42 41.39 1x4m n LEU 28 CO 0.11 0.41 0.87 1.62 -1.22 0.00 0.00 177.39 179.18 1x4m h VAL 29 N -1.00 0.00 0.01 4.08 3.04 -1.48 -3.31 116.25 117.59 1x4m h VAL 29 Ca -0.54 -0.60 -0.36 0.00 -1.01 0.00 0.00 66.70 64.20 1x4m h VAL 29 Cb 1.46 1.56 -0.05 0.00 -2.01 0.00 0.00 31.29 32.24 1x4m h VAL 29 CO -0.33 0.00 -1.97 -0.38 -1.01 0.00 0.00 177.57 173.88 1x4m n ILE 30 N -2.59 1.55 -1.71 3.17 5.41 -0.87 0.15 119.36 124.46 1x4m n ILE 30 Ca 0.04 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1x4m n ILE 30 Cb 0.42 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 1.49 -1.47 3.01 7.39 0.00 -1.15 0.11 105.19 114.57 1x4m n GLY 31 Ca -0.43 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 3.60 -0.65 1.61 5.02 -1.26 -4.30 118.16 122.17 1x4m n LYS 32 Ca 0.00 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.64 1x4m n LYS 32 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 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 3.04 0.49 3.08 0.72 0.00 -1.26 -4.53 105.19 106.72 1x4m n GLY 33 Ca 0.38 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.33 -0.24 0.12 -0.02 0.00 -1.18 -4.95 105.19 98.59 1x4m n GLY 34 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.72 0.71 -0.03 1.61 -0.58 0.12 -3.91 120.64 114.84 1x4m n GLU 35 Ca -0.21 0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.75 1x4m n GLU 35 Cb 0.63 -1.70 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1x4m h THR 36 N 0.04 0.00 -0.72 2.62 2.02 -1.06 -3.37 112.91 112.45 1x4m h THR 36 Ca -0.41 -0.43 0.13 0.00 0.77 0.00 0.00 66.41 66.47 1x4m h THR 36 Cb 2.03 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.30 1x4m h THR 36 CO 0.06 0.00 -0.28 -0.29 0.37 0.00 0.00 175.52 175.39 1x4m h ILE 37 N -0.43 0.18 -0.98 3.11 2.10 0.13 0.35 117.51 121.96 1x4m h ILE 37 Ca 0.00 0.00 0.33 0.00 1.08 0.00 0.00 64.86 66.27 1x4m h ILE 37 Cb 0.21 0.18 -0.16 0.00 -1.09 0.00 0.00 36.82 35.96 1x4m h ILE 37 CO 0.00 0.00 0.48 0.50 -1.08 0.00 0.00 178.15 178.05 1x4m h LYS 38 N -0.07 0.20 -0.08 2.19 3.64 -1.79 0.74 116.57 121.41 1x4m h LYS 38 Ca 0.31 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.46 1x4m h LYS 38 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1x4m h LYS 38 CO -0.77 0.14 -0.81 1.96 -2.27 0.00 0.00 179.45 177.70 1x4m h GLN 39 N 0.21 0.56 0.00 1.90 4.20 -0.50 -3.01 115.11 118.47 1x4m h GLN 39 Ca 0.73 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1x4m h GLN 39 Cb 1.71 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1x4m h GLN 39 CO -0.67 1.12 0.06 1.28 -0.67 0.00 0.00 178.83 179.94 1x4m n LEU 40 N -3.85 0.52 0.09 1.46 4.77 0.25 -0.84 117.00 119.40 1x4m n LEU 40 Ca -0.06 0.72 -0.05 0.00 -0.03 0.00 0.00 56.01 56.59 1x4m n LEU 40 Cb 0.76 -0.77 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1x4m n LEU 40 CO 0.51 -0.90 0.44 1.56 -1.33 0.00 0.00 177.39 177.66 1x4m h GLN 41 N 0.00 0.20 0.13 3.23 4.20 -1.29 -2.99 115.11 118.58 1x4m h GLN 41 Ca 0.00 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.32 1x4m h GLN 41 Cb 0.12 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1x4m h GLN 41 CO 0.00 0.79 -1.16 0.93 -0.67 0.00 0.00 178.83 178.71 1x4m h GLU 42 N 0.14 0.27 -0.66 1.46 5.08 -1.16 0.54 114.58 120.25 1x4m h GLU 42 Ca -0.01 -0.46 0.16 0.00 -1.00 0.00 0.00 59.36 58.05 1x4m h GLU 42 Cb 1.18 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 1x4m h GLU 42 CO 0.10 1.22 0.46 0.00 -1.00 0.00 0.00 179.01 179.79 1x4m h ARG 43 N -0.34 0.17 0.00 2.33 3.08 -1.57 -2.31 114.38 115.74 1x4m h ARG 43 Ca -0.24 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.64 1x4m h ARG 43 Cb 1.71 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.69 1x4m h ARG 43 CO 0.10 0.11 -1.87 0.00 -1.07 0.00 0.00 179.97 177.24 1x4m n ALA 44 N -2.60 1.97 -1.70 0.04 0.00 -1.13 -5.02 120.51 112.06 1x4m n ALA 44 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1x4m n ALA 44 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.96 0.69 3.37 0.00 0.00 0.16 -4.87 105.19 106.51 1x4m n GLY 45 Ca -0.16 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.10 0.58 -0.25 1.61 -7.23 0.38 -4.66 120.40 108.73 1x4m s VAL 46 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1x4m s VAL 46 Cb 0.00 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1x4m s VAL 46 CO 0.00 0.00 0.13 -0.75 -0.31 0.00 0.00 175.10 174.17 1x4m s LYS 47 N -3.89 3.92 -0.23 4.82 2.20 0.50 -4.34 119.74 122.72 1x4m s LYS 47 Ca 0.35 -0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1x4m s LYS 47 Cb 0.06 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1x4m s LYS 47 CO 0.15 -0.04 0.02 -1.64 -0.36 0.00 0.00 175.35 173.48 1x4m s MET 48 N 1.31 3.57 -0.13 4.03 -1.94 -1.26 -0.94 119.30 123.94 1x4m s MET 48 Ca 0.06 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1x4m s MET 48 Cb -0.15 -3.18 0.04 0.00 2.01 0.00 0.00 34.83 33.56 1x4m s MET 48 CO 0.06 -0.15 0.03 0.08 -0.01 0.00 0.00 175.02 175.03 1x4m s VAL 49 N 1.44 0.35 -0.01 -6.03 1.01 0.17 -4.93 120.40 112.39 1x4m s VAL 49 Ca 0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1x4m s VAL 49 Cb -0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1x4m s VAL 49 CO 0.01 0.01 1.31 -0.04 0.00 0.00 0.00 175.10 176.39 1x4m s MET 50 N 1.96 4.32 -0.25 2.72 -1.94 -1.26 -0.75 119.30 124.10 1x4m s MET 50 Ca 0.02 1.84 -0.18 0.00 -1.71 0.00 0.00 55.69 55.67 1x4m s MET 50 Cb -0.14 -3.53 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 1x4m s MET 50 CO -0.07 -0.49 0.49 0.42 -0.01 0.00 0.00 175.02 175.37 1x4m s ILE 51 N 2.15 5.09 -0.07 2.53 -1.09 0.14 -4.89 121.20 125.06 1x4m s ILE 51 Ca 0.60 0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 59.76 1x4m s ILE 51 Cb -0.29 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.70 1x4m s ILE 51 CO 0.25 0.12 0.44 -0.61 -1.23 0.00 0.00 174.94 173.91 1x4m h GLN 52 N 7.89 -0.21 -5.90 2.79 5.75 -1.95 -3.28 115.11 120.20 1x4m h GLN 52 Ca -0.30 0.01 -0.67 0.00 -0.15 0.00 0.00 58.65 57.54 1x4m h GLN 52 Cb 1.15 0.05 -0.15 0.00 1.07 0.00 0.00 27.48 29.59 1x4m h GLN 52 CO 0.71 0.02 -0.62 -0.51 -2.65 0.00 0.00 178.83 175.78 1x4m s ASP 53 N -5.39 5.21 0.00 -0.69 1.01 -1.26 -4.85 116.67 110.70 1x4m s ASP 53 Ca -0.07 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1x4m s ASP 53 Cb 0.00 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.42 1x4m s ASP 53 CO 0.23 0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.58 1x4m n GLY 54 N 2.29 -2.21 3.61 0.21 0.00 -1.26 -5.09 105.19 102.74 1x4m n GLY 54 Ca -0.18 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.17 -0.98 -1.40 1.61 0.04 -1.26 -4.90 135.00 127.94 1x4m s PRO 55 Ca 0.00 0.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.96 1x4m s PRO 55 Cb 0.00 -1.62 0.08 0.00 0.04 0.00 0.00 34.50 33.00 1x4m s PRO 55 CO 0.00 -3.57 2.23 0.00 0.04 0.00 0.00 177.00 175.71 1x4m n GLN 56 N -4.67 3.50 -4.40 4.56 10.64 -1.26 -4.63 117.38 121.12 1x4m n GLN 56 Ca 0.12 -3.00 -0.35 0.00 -1.83 0.00 0.00 57.00 51.94 1x4m n GLN 56 Cb 0.59 -2.99 -0.09 0.00 -0.86 0.00 0.00 30.24 26.89 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 4.29 -0.13 -4.59 2.61 3.02 -1.26 -4.81 115.26 114.38 1x4m n ASN 57 Ca 0.53 -1.26 -0.43 0.00 -0.03 0.00 0.00 54.58 53.39 1x4m n ASN 57 Cb 0.34 -1.62 -0.02 0.00 -0.61 0.00 0.00 39.78 37.86 1x4m n ASN 57 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x4m s THR 58 N -3.95 4.02 0.23 3.41 -4.23 -1.26 -4.87 115.64 108.99 1x4m s THR 58 Ca 0.32 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 1x4m s THR 58 Cb -0.19 -4.45 0.00 0.00 1.34 0.00 0.00 72.50 69.20 1x4m s THR 58 CO 1.01 -0.98 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1x4m n GLY 59 N 5.01 -1.27 3.38 3.99 0.00 -1.26 -4.41 105.19 110.63 1x4m n GLY 59 Ca 0.13 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.95 3.54 0.27 4.61 0.00 -1.26 -4.98 121.76 122.00 1x4m s ALA 60 Ca 0.00 -2.59 -0.21 0.00 0.00 0.00 0.00 51.96 49.17 1x4m s ALA 60 Cb 0.00 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1x4m s ALA 60 CO 0.00 -2.49 0.81 0.16 0.00 0.00 0.00 175.76 174.25 1x4m s ASP 61 N 3.32 -0.16 -0.15 0.00 1.47 -1.26 -4.64 116.67 115.25 1x4m s ASP 61 Ca 0.18 -0.71 -0.01 0.00 1.18 0.00 0.00 52.55 53.20 1x4m s ASP 61 Cb -0.17 0.69 0.04 0.00 -0.34 0.00 0.00 42.92 43.14 1x4m s ASP 61 CO -0.01 -1.31 -0.04 -0.54 0.68 0.00 0.00 175.17 173.95 1x4m s LYS 62 N -3.25 1.28 -0.32 2.11 -0.14 0.10 -4.90 119.74 114.62 1x4m s LYS 62 Ca 0.13 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.06 1x4m s LYS 62 Cb -0.05 -1.84 -0.01 0.00 -1.68 0.00 0.00 37.83 34.25 1x4m s LYS 62 CO 0.07 -0.41 1.68 -1.25 -0.76 0.00 0.00 175.35 174.68 1x4m s PRO 63 N 1.70 3.49 -0.22 -1.68 0.04 -1.24 -0.76 135.00 136.34 1x4m s PRO 63 Ca 0.02 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 1x4m s PRO 63 Cb -0.15 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1x4m s PRO 63 CO -0.08 -1.67 0.55 -1.17 0.04 0.00 0.00 177.00 174.67 1x4m s LEU 64 N 6.22 4.12 -0.20 -3.56 2.96 0.14 -0.69 118.68 127.68 1x4m s LEU 64 Ca 0.74 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 55.19 1x4m s LEU 64 Cb -0.21 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1x4m s LEU 64 CO 0.33 -0.24 0.33 -0.60 -1.32 0.00 0.00 176.35 174.84 1x4m s ARG 65 N 1.91 4.18 -0.30 1.98 3.52 0.07 -1.20 118.95 129.11 1x4m s ARG 65 Ca 0.25 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1x4m s ARG 65 Cb -0.16 -3.50 0.08 0.00 -1.56 0.00 0.00 34.95 29.81 1x4m s ARG 65 CO 0.10 0.06 -0.03 0.42 -0.81 0.00 0.00 175.30 175.04 1x4m s ILE 66 N 1.01 2.21 0.21 4.11 1.01 -0.06 -0.66 121.20 129.02 1x4m s ILE 66 Ca 0.16 -1.97 0.03 0.00 0.00 0.00 0.00 60.65 58.87 1x4m s ILE 66 Cb -0.14 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1x4m s ILE 66 CO 0.06 -0.30 0.35 0.42 0.00 0.00 0.00 174.94 175.47 1x4m s THR 67 N 1.01 5.27 -5.00 2.92 -4.23 -0.12 -0.14 115.64 115.35 1x4m s THR 67 Ca 0.01 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1x4m s THR 67 Cb -0.20 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1x4m s THR 67 CO -0.07 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1x4m n GLY 68 N -1.04 0.87 3.61 3.99 0.00 0.60 -0.37 105.19 112.85 1x4m n GLY 68 Ca -0.07 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1x4m n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x4m n ASP 69 N 1.55 1.46 0.21 1.61 2.03 -1.26 -0.77 116.55 121.37 1x4m n ASP 69 Ca 0.00 1.13 0.15 0.00 0.52 0.00 0.00 54.79 56.59 1x4m n ASP 69 Cb 0.00 -1.34 0.61 0.00 -0.72 0.00 0.00 41.12 39.67 1x4m n ASP 69 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x4m h PRO 70 N 1.90 0.00 0.00 -0.67 0.13 -1.88 0.36 132.00 131.84 1x4m h PRO 70 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 1x4m h PRO 70 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1x4m h PRO 70 CO 0.59 0.00 -1.71 0.98 -0.23 0.00 0.00 178.00 177.63 1x4m n TYR 71 N -2.69 0.66 -0.12 1.56 4.19 -1.26 -4.26 117.16 115.24 1x4m n TYR 71 Ca 0.01 0.22 -0.25 0.00 3.31 0.00 0.00 57.90 61.19 1x4m n TYR 71 Cb 0.26 -1.00 -0.11 0.00 0.49 0.00 0.00 39.34 38.98 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 -2.79 0.57 -0.32 2.98 5.02 -1.06 -4.09 118.16 118.47 1x4m n LYS 72 Ca -0.14 0.44 0.29 0.00 -2.02 0.00 0.00 58.31 56.88 1x4m n LYS 72 Cb 0.89 -1.64 0.54 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 -4.36 -0.41 -0.12 -0.18 0.31 0.12 0.20 118.33 113.89 1x4m n VAL 73 Ca -0.41 2.03 -0.08 0.00 -0.01 0.00 0.00 64.34 65.86 1x4m n VAL 73 Cb 0.76 -3.25 0.07 0.00 -0.91 0.00 0.00 33.84 30.51 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 0.87 -0.01 5.55 1.08 -1.76 -2.02 115.11 118.81 1x4m h GLN 74 Ca 0.81 -0.34 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1x4m h GLN 74 Cb 2.08 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 29.47 1x4m h GLN 74 CO -0.78 0.97 -0.01 1.96 -0.95 0.00 0.00 178.83 180.02 1x4m h GLN 75 N 0.76 0.03 -0.13 1.46 1.08 0.22 -3.26 115.11 115.26 1x4m h GLN 75 Ca 0.11 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1x4m h GLN 75 Cb 0.71 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1x4m h GLN 75 CO 0.05 0.43 -0.07 0.00 -0.95 0.00 0.00 178.83 178.29 1x4m h ALA 76 N 0.60 0.05 -1.89 3.87 0.00 -0.97 -1.58 119.26 119.35 1x4m h ALA 76 Ca 0.00 0.05 0.56 0.00 0.00 0.00 0.00 54.91 55.53 1x4m h ALA 76 Cb 0.42 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1x4m h ALA 76 CO 0.00 -0.52 1.34 1.17 0.00 0.00 0.00 179.25 181.25 1x4m n LYS 77 N -5.21 -0.01 -0.01 0.00 4.81 -0.76 0.14 118.16 117.12 1x4m n LYS 77 Ca -0.03 1.11 -0.16 0.00 -0.87 0.00 0.00 58.31 58.35 1x4m n LYS 77 Cb 0.13 -2.50 -0.11 0.00 0.02 0.00 0.00 35.03 32.57 1x4m n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x4m h GLU 78 N 0.00 0.27 -0.74 1.64 5.08 -1.37 -2.18 114.58 117.28 1x4m h GLU 78 Ca 0.93 -0.30 0.14 0.00 -1.00 0.00 0.00 59.36 59.13 1x4m h GLU 78 Cb 3.64 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 32.88 1x4m h GLU 78 CO -0.08 1.02 0.27 0.52 -1.00 0.00 0.00 179.01 179.73 1x4m h MET 79 N -0.35 0.39 0.23 2.33 2.86 0.13 0.18 114.93 120.70 1x4m h MET 79 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1x4m h MET 79 Cb 1.17 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1x4m h MET 79 CO 0.08 0.26 -0.11 0.28 1.06 0.00 0.00 176.91 178.48 1x4m h VAL 80 N 0.40 0.63 -0.97 -2.22 2.07 -1.52 -2.53 116.25 112.12 1x4m h VAL 80 Ca 0.41 -0.94 0.24 0.00 0.82 0.00 0.00 66.70 67.22 1x4m h VAL 80 Cb 0.63 1.04 -0.12 0.00 -1.52 0.00 0.00 31.29 31.32 1x4m h VAL 80 CO -0.42 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 177.79 1x4m h LEU 81 N -0.91 0.57 -0.97 2.57 3.38 -1.05 0.60 115.31 119.48 1x4m h LEU 81 Ca -0.03 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1x4m h LEU 81 Cb 0.50 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1x4m h LEU 81 CO 0.05 0.07 -0.51 -0.08 0.09 0.00 0.00 178.44 178.07 1x4m h GLU 82 N 0.52 0.00 -0.77 1.13 4.81 -0.69 -2.47 114.58 117.10 1x4m h GLU 82 Ca 0.62 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.82 1x4m h GLU 82 Cb 1.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1x4m h GLU 82 CO -0.49 0.51 0.38 1.25 -0.73 0.00 0.00 179.01 179.93 1x4m h LEU 83 N 0.00 1.01 -0.20 1.64 7.12 0.65 -2.46 115.31 123.07 1x4m h LEU 83 Ca -0.01 -0.13 -0.10 0.00 0.13 0.00 0.00 57.88 57.77 1x4m h LEU 83 Cb 0.91 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 1x4m h LEU 83 CO 0.07 0.85 -0.49 0.16 -0.13 0.00 0.00 178.44 178.90 1x4m h ILE 84 N 1.09 0.88 -3.19 4.05 3.07 -1.33 -3.45 117.51 118.62 1x4m h ILE 84 Ca 0.27 -2.11 -0.53 0.00 1.55 0.00 0.00 64.86 64.04 1x4m h ILE 84 Cb 0.10 2.34 0.04 0.00 -0.27 0.00 0.00 36.82 39.03 1x4m h ILE 84 CO -0.04 0.48 0.76 -0.13 -1.05 0.00 0.00 178.15 178.17 1x4m s ARG 85 N -3.08 4.29 -0.53 0.16 0.52 -0.93 -4.91 118.95 114.46 1x4m s ARG 85 Ca 0.03 2.23 -0.27 0.00 -0.52 0.00 0.00 55.73 57.20 1x4m s ARG 85 Cb 0.08 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 1x4m s ARG 85 CO 0.73 -0.43 1.79 0.34 0.02 0.00 0.00 175.30 177.75 1x4m s ASP 86 N 0.66 5.53 -1.11 0.23 2.15 -1.26 -3.89 116.67 118.98 1x4m s ASP 86 Ca 0.62 0.57 -0.10 0.00 0.43 0.00 0.00 52.55 54.07 1x4m s ASP 86 Cb -0.40 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.70 1x4m s ASP 86 CO 0.37 -2.13 0.20 0.00 -0.17 0.00 0.00 175.17 173.44 1x4m n GLN 87 N 8.92 -0.74 0.16 4.34 10.64 -1.26 -4.85 117.38 134.59 1x4m n GLN 87 Ca 0.20 0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 55.31 1x4m n GLN 87 Cb 0.50 -2.36 -0.03 0.00 -0.86 0.00 0.00 30.24 27.49 1x4m n GLN 87 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1x4m h GLY 88 N -1.24 -0.49 0.00 2.61 0.00 -1.85 -3.44 103.07 98.65 1x4m h GLY 88 Ca -0.53 0.18 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1x4m h GLY 88 CO 0.50 -0.18 -1.24 -1.26 0.00 0.00 0.00 176.54 174.36 1x4m n SER 89 N -4.39 1.23 0.00 0.19 2.88 -1.26 -5.05 113.62 107.22 1x4m n SER 89 Ca -0.06 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1x4m n SER 89 Cb 0.18 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1x4m n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4m n GLY 90 N 2.26 -1.86 3.15 0.46 0.00 -1.26 -5.18 105.19 102.76 1x4m n GLY 90 Ca -0.19 0.84 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 1x4m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 91 N 0.00 -2.95 -3.84 1.61 -0.04 -1.26 -5.04 135.00 123.49 1x4m n PRO 91 Ca 0.00 -1.57 -0.36 0.00 -0.04 0.00 0.00 63.50 61.53 1x4m n PRO 91 Cb 0.00 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 1x4m n PRO 91 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4m s SER 92 N -4.15 6.27 -0.51 3.54 0.01 -1.26 -5.02 113.70 112.58 1x4m s SER 92 Ca 0.64 0.36 -0.27 0.00 1.31 0.00 0.00 55.95 57.99 1x4m s SER 92 Cb -0.06 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 1x4m s SER 92 CO 0.49 0.31 2.12 -0.44 0.41 0.00 0.00 173.24 176.13 1x4m s SER 93 N -0.44 4.96 0.00 2.44 0.01 -1.26 -5.18 113.70 114.24 1x4m s SER 93 Ca 0.12 0.84 0.10 0.00 1.31 0.00 0.00 55.95 58.31 1x4m s SER 93 Cb -0.12 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.67 1x4m s SER 93 CO 0.01 -2.52 0.80 0.61 0.41 0.00 0.00 173.24 172.56