#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 -0.17 0.05 1.61 1.04 -1.26 -5.10 113.70 109.87 1x4m s SER 2 Ca 0.00 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 1x4m s SER 2 Cb 0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1x4m s SER 2 CO 0.00 -1.06 -0.03 -1.54 0.98 0.00 0.00 173.24 171.59 1x4m n SER 3 N -0.33 0.91 0.00 7.02 3.41 -1.26 -5.17 113.62 118.20 1x4m n SER 3 Ca -0.08 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1x4m n SER 3 Cb 0.62 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1x4m n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4m n GLY 4 N 3.22 1.32 3.08 5.00 0.00 -1.26 -5.11 105.19 111.44 1x4m n GLY 4 Ca -0.02 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1x4m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4m s SER 5 N 0.00 1.07 0.32 1.61 1.04 -1.26 -5.16 113.70 111.32 1x4m s SER 5 Ca 0.00 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1x4m s SER 5 Cb 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1x4m s SER 5 CO 0.00 -0.14 0.53 -0.94 0.98 0.00 0.00 173.24 173.67 1x4m s SER 6 N -1.47 6.33 0.18 7.02 1.04 -1.26 -5.11 113.70 120.44 1x4m s SER 6 Ca -0.07 0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 1x4m s SER 6 Cb -0.09 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1x4m s SER 6 CO 0.01 -0.24 0.31 -0.83 0.98 0.00 0.00 173.24 173.47 1x4m s GLY 7 N -3.78 0.58 -0.01 7.32 0.00 -1.26 -5.18 107.32 104.99 1x4m s GLY 7 Ca 0.40 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1x4m s GLY 7 CO 0.34 -0.84 0.30 -2.38 0.00 0.00 0.00 173.10 170.52 1x4m s HIS 8 N -4.00 -0.15 -0.42 1.90 0.00 -1.26 -5.12 115.29 106.25 1x4m s HIS 8 Ca 0.20 0.19 0.04 0.00 -3.00 0.00 0.00 55.06 52.50 1x4m s HIS 8 Cb 0.03 0.08 0.17 0.00 -4.00 0.00 0.00 32.58 28.86 1x4m s HIS 8 CO 0.03 -0.40 0.41 0.20 -1.00 0.00 0.00 174.74 173.98 1x4m s GLY 9 N -1.43 0.40 -0.08 -1.38 0.00 -1.26 -5.12 107.32 98.45 1x4m s GLY 9 Ca -0.13 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.65 1x4m s GLY 9 CO 0.03 2.56 0.96 0.99 0.00 0.00 0.00 173.10 177.65 1x4m s ASP 10 N 0.65 7.24 -0.17 1.64 1.01 -1.26 -5.04 116.67 120.74 1x4m s ASP 10 Ca 0.27 1.52 -0.06 0.00 0.71 0.00 0.00 52.55 54.99 1x4m s ASP 10 Cb -0.04 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1x4m s ASP 10 CO -0.11 -0.36 0.02 -0.83 0.21 0.00 0.00 175.17 174.10 1x4m s GLY 11 N 1.06 1.82 -1.06 0.21 0.00 -1.26 -5.03 107.32 103.05 1x4m s GLY 11 Ca 0.48 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 1x4m s GLY 11 CO 0.21 0.03 1.94 2.56 0.00 0.00 0.00 173.10 177.83 1x4m s PRO 12 N 0.43 2.52 6.18 2.90 0.04 -1.26 -4.82 135.00 140.99 1x4m s PRO 12 Ca 0.00 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.26 1x4m s PRO 12 Cb -0.13 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1x4m s PRO 12 CO 0.02 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 173.74 1x4m n GLY 13 N 6.27 2.26 3.75 0.56 0.00 -1.26 -4.66 105.19 112.10 1x4m n GLY 13 Ca 0.43 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 7.05 0.03 1.61 2.47 -1.26 -4.86 114.94 115.98 1x4m s ASN 14 Ca 0.00 1.25 -0.21 0.00 0.42 0.00 0.00 52.86 54.32 1x4m s ASN 14 Cb 0.00 -2.40 -0.06 0.00 -1.45 0.00 0.00 41.25 37.34 1x4m s ASN 14 CO 0.00 0.03 0.62 0.00 -3.72 0.00 0.00 177.10 174.03 1x4m s ALA 15 N 0.04 3.50 -0.12 1.71 0.00 -1.04 -4.87 121.76 120.98 1x4m s ALA 15 Ca 0.34 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1x4m s ALA 15 Cb -0.19 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.21 1x4m s ALA 15 CO 0.19 0.22 0.02 0.54 0.00 0.00 0.00 175.76 176.73 1x4m s VAL 16 N -0.47 0.38 0.05 0.00 0.11 -1.26 -0.23 120.40 118.98 1x4m s VAL 16 Ca 0.32 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.31 1x4m s VAL 16 Cb -0.19 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1x4m s VAL 16 CO 0.19 0.07 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.39 1x4m s GLN 17 N 1.95 2.43 -0.04 1.54 2.00 -0.35 -4.92 119.66 122.29 1x4m s GLN 17 Ca 0.03 -0.83 0.07 0.00 -2.00 0.00 0.00 55.36 52.62 1x4m s GLN 17 Cb -0.14 -2.45 -0.02 0.00 0.80 0.00 0.00 33.01 31.20 1x4m s GLN 17 CO -0.06 0.56 -0.24 -1.21 -0.50 0.00 0.00 175.29 173.84 1x4m s GLU 18 N -1.85 2.30 0.15 1.67 2.02 -1.26 -0.22 118.70 121.51 1x4m s GLU 18 Ca 0.20 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.31 1x4m s GLU 18 Cb -0.11 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1x4m s GLU 18 CO 0.12 0.51 0.00 0.96 0.02 0.00 0.00 175.26 176.87 1x4m s ILE 19 N -0.49 0.54 -0.28 -1.63 -0.00 -0.27 -4.94 121.20 114.13 1x4m s ILE 19 Ca 0.06 -1.95 -0.12 0.00 -0.00 0.00 0.00 60.65 58.64 1x4m s ILE 19 Cb -0.11 -2.01 -0.05 0.00 -0.00 0.00 0.00 42.46 40.29 1x4m s ILE 19 CO 0.01 -0.56 0.23 0.00 -0.00 0.00 0.00 174.94 174.62 1x4m s MET 20 N -3.93 3.97 -0.13 0.37 0.23 -1.26 0.15 119.30 118.70 1x4m s MET 20 Ca 0.21 -0.24 0.03 0.00 -1.03 0.00 0.00 55.69 54.66 1x4m s MET 20 Cb 0.06 -3.66 0.01 0.00 -1.53 0.00 0.00 34.83 29.72 1x4m s MET 20 CO 0.02 -0.19 -0.21 0.42 -2.03 0.00 0.00 175.02 173.02 1x4m s ILE 21 N 1.80 2.01 -0.11 3.16 -1.09 -0.17 -4.92 121.20 121.88 1x4m s ILE 21 Ca 0.09 -0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 57.26 1x4m s ILE 21 Cb -0.16 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1x4m s ILE 21 CO 0.11 0.54 1.53 -2.16 -1.23 0.00 0.00 174.94 173.73 1x4m s PRO 22 N 0.80 4.15 0.53 2.79 0.04 -1.26 0.19 135.00 142.24 1x4m s PRO 22 Ca -0.08 1.97 0.34 0.00 0.04 0.00 0.00 61.00 63.27 1x4m s PRO 22 Cb -0.16 -3.93 1.16 0.00 0.04 0.00 0.00 34.50 31.61 1x4m s PRO 22 CO -0.01 -0.86 1.27 0.00 0.04 0.00 0.00 177.00 177.44 1x4m n ALA 23 N 7.14 1.27 0.02 8.56 0.00 -1.26 0.13 120.51 136.36 1x4m n ALA 23 Ca 0.16 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 1x4m n ALA 23 Cb 0.44 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 1x4m n ALA 23 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4m h SER 24 N 0.00 -0.03 0.84 0.00 0.02 -1.95 -2.92 113.55 109.51 1x4m h SER 24 Ca 0.63 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1x4m h SER 24 Cb 3.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 65.54 1x4m h SER 24 CO -0.01 0.30 -0.01 0.29 -1.14 0.00 0.00 176.83 176.26 1x4m n LYS 25 N -4.95 0.15 0.28 3.45 4.76 0.34 -3.41 118.16 118.77 1x4m n LYS 25 Ca -0.08 -0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1x4m n LYS 25 Cb 0.19 -1.50 0.79 0.00 -1.84 0.00 0.00 35.03 32.67 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 3.14 1.38 -0.07 7.82 0.00 -0.93 -0.87 119.26 129.73 1x4m h ALA 26 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x4m h ALA 26 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x4m h ALA 26 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1x4m n GLY 27 N -0.93 0.18 0.14 0.00 0.00 -1.22 -2.74 105.19 100.62 1x4m n GLY 27 Ca -0.02 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 0.32 2.76 0.03 0.99 4.32 -0.36 -3.69 117.00 121.37 1x4m n LEU 28 Ca 0.18 -0.05 -0.07 0.00 -0.02 0.00 0.00 56.01 56.05 1x4m n LEU 28 Cb 0.37 -0.80 -0.13 0.00 -1.62 0.00 0.00 43.42 41.25 1x4m n LEU 28 CO 0.15 0.82 -0.11 1.62 -1.22 0.00 0.00 177.39 178.66 1x4m h VAL 29 N -0.16 1.36 0.00 4.08 3.04 -1.62 -3.39 116.25 119.56 1x4m h VAL 29 Ca -0.54 -3.12 -0.00 0.00 -1.01 0.00 0.00 66.70 62.03 1x4m h VAL 29 Cb 1.76 2.67 -0.00 0.00 -2.01 0.00 0.00 31.29 33.71 1x4m h VAL 29 CO -0.13 0.77 -0.05 0.40 -1.01 0.00 0.00 177.57 177.55 1x4m h ILE 30 N 0.00 0.02 0.00 3.17 2.04 -1.76 0.76 117.51 121.74 1x4m h ILE 30 Ca -0.12 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1x4m h ILE 30 Cb 1.86 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1x4m h ILE 30 CO 0.11 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1x4m n GLY 31 N 1.76 -0.16 3.53 5.37 0.00 -1.24 -1.18 105.19 113.28 1x4m n GLY 31 Ca -0.01 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.28 0.33 0.00 1.61 4.76 -1.26 -2.15 118.16 121.16 1x4m n LYS 32 Ca 0.00 -0.99 0.00 0.00 -2.87 0.00 0.00 58.31 54.45 1x4m n LYS 32 Cb 0.00 -3.38 0.00 0.00 -1.84 0.00 0.00 35.03 29.81 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4m n GLY 33 N 6.36 2.88 0.00 0.72 0.00 -1.26 -4.36 105.19 109.53 1x4m n GLY 33 Ca 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.51 0.11 -0.02 0.00 -0.92 -5.08 105.19 99.80 1x4m n GLY 34 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1x4m n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x4m h GLU 35 N 0.00 0.09 0.72 1.61 4.39 -1.34 -3.28 114.58 116.77 1x4m h GLU 35 Ca 0.00 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1x4m h GLU 35 Cb 0.00 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1x4m h GLU 35 CO 0.00 1.08 -0.36 1.15 -1.16 0.00 0.00 179.01 179.72 1x4m h THR 36 N -0.71 0.00 -0.97 1.13 2.02 -1.55 -2.49 112.91 110.33 1x4m h THR 36 Ca -0.29 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.17 1x4m h THR 36 Cb 1.46 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1x4m h THR 36 CO -0.08 0.00 0.74 -0.29 0.37 0.00 0.00 175.52 176.26 1x4m h ILE 37 N -0.98 0.44 -0.25 3.11 2.10 0.60 0.57 117.51 123.09 1x4m h ILE 37 Ca -0.10 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.78 1x4m h ILE 37 Cb 0.76 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 1x4m h ILE 37 CO 0.15 0.00 -0.11 0.50 -1.08 0.00 0.00 178.15 177.61 1x4m h LYS 38 N 0.00 0.41 0.00 2.19 3.64 -1.51 -2.28 116.57 119.03 1x4m h LYS 38 Ca 0.46 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 1x4m h LYS 38 Cb 1.93 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.69 1x4m h LYS 38 CO -0.00 0.53 -0.27 1.96 -2.27 0.00 0.00 179.45 179.40 1x4m h GLN 39 N 0.39 0.00 0.00 1.90 4.20 0.35 -3.19 115.11 118.75 1x4m h GLN 39 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1x4m h GLN 39 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1x4m h GLN 39 CO 0.02 0.27 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.07 1x4m h LEU 40 N 0.00 0.00 -1.54 1.46 3.38 -1.02 -2.66 115.31 114.94 1x4m h LEU 40 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1x4m h LEU 40 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1x4m h LEU 40 CO 0.03 0.31 -0.24 1.56 0.09 0.00 0.00 178.44 180.20 1x4m h GLN 41 N 0.00 0.00 0.08 1.13 4.20 -1.51 -2.50 115.11 116.51 1x4m h GLN 41 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1x4m h GLN 41 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1x4m h GLN 41 CO 0.04 0.24 -1.36 0.93 -0.67 0.00 0.00 178.83 178.01 1x4m h GLU 42 N 0.00 0.18 -0.81 1.46 5.08 -1.67 0.55 114.58 119.37 1x4m h GLU 42 Ca -0.00 -0.31 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1x4m h GLU 42 Cb 0.47 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1x4m h GLU 42 CO 0.03 1.15 0.54 0.00 -1.00 0.00 0.00 179.01 179.73 1x4m h ARG 43 N -0.45 0.44 0.00 2.33 3.08 -1.41 -2.69 114.38 115.68 1x4m h ARG 43 Ca -0.31 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.49 1x4m h ARG 43 Cb 1.65 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.56 1x4m h ARG 43 CO 0.00 0.29 -1.93 0.00 -1.07 0.00 0.00 179.97 177.27 1x4m n ALA 44 N -2.51 1.78 -1.58 0.04 0.00 -0.95 -5.03 120.51 112.26 1x4m n ALA 44 Ca 0.16 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x4m n ALA 44 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 2.07 0.47 3.32 0.00 0.00 0.15 -4.85 105.19 106.35 1x4m n GLY 45 Ca -0.20 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.57 0.07 -0.25 1.61 -7.23 0.99 -4.70 120.40 108.32 1x4m s VAL 46 Ca 0.00 -0.54 -0.21 0.00 -1.81 0.00 0.00 61.98 59.43 1x4m s VAL 46 Cb 0.00 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1x4m s VAL 46 CO 0.00 -0.30 0.64 -0.75 -0.31 0.00 0.00 175.10 174.39 1x4m s LYS 47 N -3.54 4.12 -0.30 4.82 2.20 0.98 -4.15 119.74 123.86 1x4m s LYS 47 Ca 0.01 0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 56.09 1x4m s LYS 47 Cb 0.01 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1x4m s LYS 47 CO -0.10 -0.41 0.20 -1.64 -0.36 0.00 0.00 175.35 173.04 1x4m s MET 48 N 2.50 3.76 -0.21 4.03 -1.94 -1.26 -0.93 119.30 125.25 1x4m s MET 48 Ca 0.27 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.79 1x4m s MET 48 Cb -0.15 -3.70 0.05 0.00 2.01 0.00 0.00 34.83 33.05 1x4m s MET 48 CO 0.08 -0.28 -0.04 0.08 -0.01 0.00 0.00 175.02 174.86 1x4m s VAL 49 N 1.74 1.22 -0.10 -6.03 1.01 0.74 -5.01 120.40 113.96 1x4m s VAL 49 Ca 0.07 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1x4m s VAL 49 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1x4m s VAL 49 CO 0.10 -0.06 1.24 -0.04 0.00 0.00 0.00 175.10 176.35 1x4m s MET 50 N 1.55 4.29 -0.23 2.72 -1.94 -1.26 -0.24 119.30 124.18 1x4m s MET 50 Ca -0.03 1.68 -0.11 0.00 -1.71 0.00 0.00 55.69 55.52 1x4m s MET 50 Cb -0.18 -3.66 -0.05 0.00 2.01 0.00 0.00 34.83 32.96 1x4m s MET 50 CO -0.07 -0.58 0.20 0.42 -0.01 0.00 0.00 175.02 174.98 1x4m s ILE 51 N 2.84 5.34 0.00 2.53 -1.09 0.38 -4.90 121.20 126.29 1x4m s ILE 51 Ca 0.56 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1x4m s ILE 51 Cb -0.24 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1x4m s ILE 51 CO 0.19 0.33 0.00 0.00 -1.23 0.00 0.00 174.94 174.23 1x4m n GLN 52 N 4.28 1.78 -1.74 2.79 10.64 -1.26 -2.69 117.38 131.19 1x4m n GLN 52 Ca -0.14 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.61 1x4m n GLN 52 Cb 0.52 -0.93 -0.02 0.00 -0.86 0.00 0.00 30.24 28.95 1x4m n GLN 52 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1x4m n ASP 53 N -2.06 3.90 0.00 2.61 5.68 -1.26 -4.85 116.55 120.57 1x4m n ASP 53 Ca 0.00 1.13 0.00 0.00 -0.50 0.00 0.00 54.79 55.42 1x4m n ASP 53 Cb 0.43 -1.59 0.00 0.00 -1.14 0.00 0.00 41.12 38.82 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x4m n GLY 54 N 2.55 -0.33 1.40 6.12 0.00 -1.26 -5.11 105.19 108.57 1x4m n GLY 54 Ca 0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1x4m n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 55 N 0.00 -1.87 -0.04 1.61 -0.04 -1.26 -5.04 135.00 128.36 1x4m n PRO 55 Ca 0.00 -0.70 -0.06 0.00 -0.04 0.00 0.00 63.50 62.70 1x4m n PRO 55 Cb 0.00 -0.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1x4m n PRO 55 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1x4m n GLN 56 N -2.84 0.21 -0.28 0.54 3.00 -1.26 -4.69 117.38 112.05 1x4m n GLN 56 Ca 0.06 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 1x4m n GLN 56 Cb 0.24 -1.17 0.09 0.00 0.00 0.00 0.00 30.24 29.40 1x4m n GLN 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1x4m n ASN 57 N -2.75 -0.32 -3.86 1.08 3.02 -1.26 -4.51 115.26 106.66 1x4m n ASN 57 Ca -0.15 1.31 -0.45 0.00 -0.03 0.00 0.00 54.58 55.27 1x4m n ASN 57 Cb 0.66 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1x4m n ASN 57 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1x4m n THR 58 N -5.22 1.25 0.00 3.41 5.66 -1.26 -4.91 114.28 113.21 1x4m n THR 58 Ca 0.11 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1x4m n THR 58 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 1.62 -3.44 3.53 1.09 0.00 -1.26 -4.80 105.19 101.92 1x4m n GLY 59 Ca 0.16 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 3.24 0.15 4.61 0.00 -1.26 -4.90 121.76 121.58 1x4m s ALA 60 Ca 0.00 -2.74 -0.25 0.00 0.00 0.00 0.00 51.96 48.97 1x4m s ALA 60 Cb 0.00 -4.41 0.06 0.00 0.00 0.00 0.00 23.12 18.77 1x4m s ALA 60 CO 0.00 -3.26 0.85 0.16 0.00 0.00 0.00 175.76 173.51 1x4m s ASP 61 N 4.14 -0.28 -0.13 0.00 -4.77 -1.26 -4.62 116.67 109.74 1x4m s ASP 61 Ca 0.45 -0.32 -0.01 0.00 -3.30 0.00 0.00 52.55 49.38 1x4m s ASP 61 Cb -0.00 0.53 0.03 0.00 -1.09 0.00 0.00 42.92 42.40 1x4m s ASP 61 CO -0.03 -0.95 -0.06 -0.54 0.70 0.00 0.00 175.17 174.29 1x4m s LYS 62 N -3.45 1.43 -0.31 2.11 -0.14 0.13 -4.88 119.74 114.63 1x4m s LYS 62 Ca 0.09 -0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 54.07 1x4m s LYS 62 Cb -0.02 -1.73 -0.01 0.00 -1.68 0.00 0.00 37.83 34.38 1x4m s LYS 62 CO -0.01 -0.34 1.67 -1.25 -0.76 0.00 0.00 175.35 174.66 1x4m s PRO 63 N 1.69 3.52 -0.15 -1.68 0.04 -1.09 -1.00 135.00 136.33 1x4m s PRO 63 Ca 0.03 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 1x4m s PRO 63 Cb -0.14 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1x4m s PRO 63 CO -0.08 -1.63 0.53 -1.17 0.04 0.00 0.00 177.00 174.69 1x4m s LEU 64 N 6.11 4.22 -0.23 -3.56 2.96 0.12 -0.47 118.68 127.83 1x4m s LEU 64 Ca 0.74 0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 1x4m s LEU 64 Cb -0.21 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1x4m s LEU 64 CO 0.32 -0.11 0.11 -0.60 -1.32 0.00 0.00 176.35 174.75 1x4m s ARG 65 N 1.14 3.90 -0.32 1.98 3.52 0.66 -1.12 118.95 128.72 1x4m s ARG 65 Ca 0.27 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1x4m s ARG 65 Cb -0.16 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1x4m s ARG 65 CO 0.11 0.02 0.02 0.42 -0.81 0.00 0.00 175.30 175.06 1x4m s ILE 66 N 1.10 2.75 0.09 4.11 1.01 0.70 -0.19 121.20 130.77 1x4m s ILE 66 Ca 0.05 -1.71 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 1x4m s ILE 66 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1x4m s ILE 66 CO 0.04 -0.27 0.25 0.42 0.00 0.00 0.00 174.94 175.38 1x4m s THR 67 N 1.14 5.34 0.00 2.92 -4.23 -0.11 -1.21 115.64 119.50 1x4m s THR 67 Ca -0.01 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1x4m s THR 67 Cb -0.20 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1x4m s THR 67 CO -0.04 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1x4m n GLY 68 N 0.15 -1.01 3.25 3.99 0.00 0.68 -0.02 105.19 112.24 1x4m n GLY 68 Ca -0.05 0.37 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 1.89 0.36 1.61 1.01 -1.26 -2.49 116.67 113.80 1x4m s ASP 69 Ca 0.00 -0.93 0.15 0.00 0.71 0.00 0.00 52.55 52.48 1x4m s ASP 69 Cb 0.00 -0.04 0.69 0.00 1.01 0.00 0.00 42.92 44.58 1x4m s ASP 69 CO 0.00 -0.25 1.77 1.55 0.21 0.00 0.00 175.17 178.45 1x4m h PRO 70 N 3.07 0.00 0.00 8.23 0.13 -1.89 0.53 132.00 142.07 1x4m h PRO 70 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1x4m h PRO 70 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x4m h PRO 70 CO 0.58 0.41 -1.24 0.98 -0.23 0.00 0.00 178.00 178.50 1x4m n TYR 71 N -3.82 0.85 -0.09 1.56 4.19 -1.26 -4.02 117.16 114.57 1x4m n TYR 71 Ca -0.01 0.26 -0.12 0.00 3.31 0.00 0.00 57.90 61.33 1x4m n TYR 71 Cb 0.47 -0.94 -0.05 0.00 0.49 0.00 0.00 39.34 39.31 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 -0.46 2.98 5.02 -1.13 -4.05 118.16 118.35 1x4m n LYS 72 Ca -0.03 0.40 0.42 0.00 -2.02 0.00 0.00 58.31 57.08 1x4m n LYS 72 Cb 0.64 -1.60 0.76 0.00 -0.02 0.00 0.00 35.03 34.81 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m h VAL 73 N -1.00 0.21 -0.11 -0.18 2.07 -0.16 1.29 116.25 118.37 1x4m h VAL 73 Ca -0.16 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 1x4m h VAL 73 Cb 0.94 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1x4m h VAL 73 CO -0.09 0.00 -0.69 1.56 0.02 0.00 0.00 177.57 178.36 1x4m h GLN 74 N 0.00 0.49 0.42 1.57 1.08 -1.73 -2.78 115.11 114.15 1x4m h GLN 74 Ca 0.70 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1x4m h GLN 74 Cb 2.89 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 30.40 1x4m h GLN 74 CO -0.01 1.00 -0.20 1.96 -0.95 0.00 0.00 178.83 180.63 1x4m h GLN 75 N 0.34 -0.54 -0.72 1.46 4.20 0.15 -3.22 115.11 116.79 1x4m h GLN 75 Ca -0.02 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.88 1x4m h GLN 75 Cb 1.26 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 29.04 1x4m h GLN 75 CO 0.12 -0.36 -0.03 0.00 -0.67 0.00 0.00 178.83 177.89 1x4m h ALA 76 N -1.31 0.68 -0.95 3.87 0.00 -1.53 0.19 119.26 120.21 1x4m h ALA 76 Ca -0.06 0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.36 1x4m h ALA 76 Cb 0.43 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 1x4m h ALA 76 CO 0.09 -0.42 0.45 -0.22 0.00 0.00 0.00 179.25 179.16 1x4m h LYS 77 N 0.08 0.34 -0.01 0.00 3.64 -1.57 0.40 116.57 119.44 1x4m h LYS 77 Ca 0.38 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1x4m h LYS 77 Cb 0.64 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1x4m h LYS 77 CO -0.65 0.22 -0.01 0.93 -2.27 0.00 0.00 179.45 177.67 1x4m h GLU 78 N 0.35 0.04 -0.74 1.90 5.08 -0.64 -1.66 114.58 118.91 1x4m h GLU 78 Ca 0.64 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.12 1x4m h GLU 78 Cb 1.34 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 1x4m h GLU 78 CO -0.59 0.50 0.26 0.52 -1.00 0.00 0.00 179.01 178.71 1x4m h MET 79 N -0.43 0.38 -0.02 2.33 2.86 -0.44 -1.60 114.93 118.02 1x4m h MET 79 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1x4m h MET 79 Cb 0.50 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1x4m h MET 79 CO 0.00 0.25 -0.01 0.28 1.06 0.00 0.00 176.91 178.50 1x4m h VAL 80 N 0.39 1.31 -1.06 -2.22 2.07 -1.09 -2.82 116.25 112.84 1x4m h VAL 80 Ca 0.41 -0.94 0.28 0.00 0.82 0.00 0.00 66.70 67.27 1x4m h VAL 80 Cb 0.63 1.92 -0.11 0.00 -1.52 0.00 0.00 31.29 32.22 1x4m h VAL 80 CO -0.42 0.25 0.67 -0.07 0.02 0.00 0.00 177.57 178.01 1x4m h LEU 81 N -0.35 0.48 -0.67 2.57 3.38 -0.54 0.92 115.31 121.10 1x4m h LEU 81 Ca 0.00 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1x4m h LEU 81 Cb 0.41 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1x4m h LEU 81 CO 0.00 0.05 -0.49 -0.08 0.09 0.00 0.00 178.44 178.01 1x4m h GLU 82 N 0.40 0.00 -0.02 1.13 4.57 -1.21 -2.49 114.58 116.96 1x4m h GLU 82 Ca 0.64 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.73 1x4m h GLU 82 Cb 1.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1x4m h GLU 82 CO -0.37 0.49 -0.42 1.25 -1.18 0.00 0.00 179.01 178.79 1x4m h LEU 83 N 0.00 0.04 0.00 1.64 7.12 0.11 -2.87 115.31 121.35 1x4m h LEU 83 Ca -0.00 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.89 1x4m h LEU 83 Cb 1.09 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 1x4m h LEU 83 CO 0.06 0.45 -1.12 0.16 -0.13 0.00 0.00 178.44 177.86 1x4m h ILE 84 N 0.03 0.36 -4.14 4.05 3.07 -1.32 -3.47 117.51 116.10 1x4m h ILE 84 Ca -0.00 -1.66 -0.50 0.00 1.55 0.00 0.00 64.86 64.25 1x4m h ILE 84 Cb 0.76 1.90 0.08 0.00 -0.27 0.00 0.00 36.82 39.29 1x4m h ILE 84 CO 0.06 0.20 0.40 -0.13 -1.05 0.00 0.00 178.15 177.63 1x4m s ARG 85 N -3.08 3.19 0.12 0.16 0.52 -0.95 -4.91 118.95 114.00 1x4m s ARG 85 Ca -0.01 1.48 -0.34 0.00 -0.52 0.00 0.00 55.73 56.33 1x4m s ARG 85 Cb 0.09 -1.99 -0.17 0.00 0.52 0.00 0.00 34.95 33.39 1x4m s ARG 85 CO 0.79 -0.96 1.03 -3.47 0.02 0.00 0.00 175.30 172.71 1x4m n ASP 86 N -1.74 0.47 -4.78 0.23 -0.08 -1.26 -4.89 116.55 104.51 1x4m n ASP 86 Ca 0.11 1.14 -0.35 0.00 -1.51 0.00 0.00 54.79 54.18 1x4m n ASP 86 Cb 0.52 -1.08 -0.00 0.00 2.34 0.00 0.00 41.12 42.90 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 -0.33 3.46 0.00 -0.67 1.11 -1.26 -5.02 119.66 116.95 1x4m s GLN 87 Ca 0.77 1.62 0.00 0.00 0.01 0.00 0.00 55.36 57.76 1x4m s GLN 87 Cb -1.00 -2.07 0.00 0.00 -1.01 0.00 0.00 33.01 28.93 1x4m s GLN 87 CO 0.54 -0.77 0.00 0.41 0.01 0.00 0.00 175.29 175.48 1x4m n GLY 88 N 0.17 1.02 1.43 3.09 0.00 -1.26 -5.08 105.19 104.56 1x4m n GLY 88 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1x4m n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4m n SER 89 N 0.00 0.14 -4.62 1.61 7.64 -1.26 -5.08 113.62 112.05 1x4m n SER 89 Ca 0.00 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 1x4m n SER 89 Cb 0.00 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1x4m n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4m n GLY 90 N 2.44 -0.16 3.56 0.23 0.00 -1.26 -4.83 105.19 105.16 1x4m n GLY 90 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1x4m n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 91 N -2.37 2.57 -0.17 1.61 0.04 -1.26 -4.92 135.00 130.50 1x4m s PRO 91 Ca 0.68 -0.01 -0.38 0.00 0.04 0.00 0.00 61.00 61.33 1x4m s PRO 91 Cb -0.48 -4.86 -0.15 0.00 0.04 0.00 0.00 34.50 29.05 1x4m s PRO 91 CO 0.53 -3.19 1.69 0.43 0.04 0.00 0.00 177.00 176.50 1x4m n SER 92 N 13.63 2.44 -3.57 6.66 7.64 -1.26 -4.94 113.62 134.21 1x4m n SER 92 Ca 0.34 1.07 -0.16 0.00 1.01 0.00 0.00 58.87 61.13 1x4m n SER 92 Cb 0.48 -1.19 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 1x4m n SER 92 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4m s SER 93 N 3.00 -0.68 0.00 6.43 0.15 -1.26 -5.26 113.70 116.08 1x4m s SER 93 Ca 0.95 0.98 0.16 0.00 0.70 0.00 0.00 55.95 58.74 1x4m s SER 93 Cb -0.98 0.90 0.13 0.00 -1.71 0.00 0.00 66.02 64.35 1x4m s SER 93 CO 0.59 -0.46 1.00 0.61 1.20 0.00 0.00 173.24 176.19