#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 1.12 0.18 1.61 1.04 -1.26 -5.19 113.70 111.21 1x4m s SER 2 Ca 0.00 -1.56 -0.15 0.00 0.48 0.00 0.00 55.95 54.72 1x4m s SER 2 Cb 0.00 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1x4m s SER 2 CO 0.00 -1.27 0.44 -0.94 0.98 0.00 0.00 173.24 172.45 1x4m s SER 3 N -3.27 -0.15 0.00 7.02 1.04 -1.26 -5.17 113.70 111.91 1x4m s SER 3 Ca 0.33 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x4m s SER 3 Cb -0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1x4m s SER 3 CO 0.22 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1x4m n GLY 4 N -0.30 4.97 3.66 7.32 0.00 -1.26 -5.19 105.19 114.39 1x4m n GLY 4 Ca -0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1x4m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m s SER 5 N 0.00 -0.33 -0.03 1.61 0.01 -1.26 -5.19 113.70 108.52 1x4m s SER 5 Ca 0.00 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 1x4m s SER 5 Cb 0.00 0.57 0.09 0.00 0.21 0.00 0.00 66.02 66.89 1x4m s SER 5 CO 0.00 -1.00 0.79 -0.44 0.41 0.00 0.00 173.24 173.00 1x4m s SER 6 N -2.80 -0.51 0.31 2.44 0.01 -1.26 -5.19 113.70 106.70 1x4m s SER 6 Ca 0.08 0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.72 1x4m s SER 6 Cb -0.03 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 1x4m s SER 6 CO -0.02 -0.62 0.06 -0.83 0.41 0.00 0.00 173.24 172.24 1x4m s GLY 7 N -1.75 1.98 -0.22 3.44 0.00 -1.26 -5.16 107.32 104.35 1x4m s GLY 7 Ca -0.03 -2.00 -0.28 0.00 0.00 0.00 0.00 44.72 42.40 1x4m s GLY 7 CO -0.01 -1.77 1.10 -2.38 0.00 0.00 0.00 173.10 170.04 1x4m s HIS 8 N -3.37 -0.31 -0.31 1.90 0.00 -1.26 -5.15 115.29 106.79 1x4m s HIS 8 Ca 0.36 0.62 0.04 0.00 -3.00 0.00 0.00 55.06 53.08 1x4m s HIS 8 Cb 0.08 0.44 0.19 0.00 -4.00 0.00 0.00 32.58 29.30 1x4m s HIS 8 CO 0.15 -0.24 0.65 0.20 -1.00 0.00 0.00 174.74 174.50 1x4m s GLY 9 N -0.70 -1.24 -0.21 -1.38 0.00 -1.26 -4.98 107.32 97.55 1x4m s GLY 9 Ca 0.02 1.01 -0.09 0.00 0.00 0.00 0.00 44.72 45.66 1x4m s GLY 9 CO -0.03 3.74 0.46 0.51 0.00 0.00 0.00 173.10 177.79 1x4m s ASP 10 N 2.64 -0.49 -0.00 1.64 -4.77 -1.26 -5.07 116.67 109.35 1x4m s ASP 10 Ca 0.13 1.07 -0.06 0.00 -3.30 0.00 0.00 52.55 50.39 1x4m s ASP 10 Cb -0.08 1.25 -0.00 0.00 -1.09 0.00 0.00 42.92 43.00 1x4m s ASP 10 CO -0.22 -0.22 0.11 -0.83 0.70 0.00 0.00 175.17 174.71 1x4m s GLY 11 N 2.14 0.05 0.00 2.12 0.00 -1.26 -5.07 107.32 105.31 1x4m s GLY 11 Ca -0.06 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.30 1x4m s GLY 11 CO -0.14 -0.23 1.30 -0.56 0.00 0.00 0.00 173.10 173.46 1x4m h PRO 12 N 4.64 0.14 0.00 2.90 0.13 -2.04 -3.47 132.00 134.29 1x4m h PRO 12 Ca -0.30 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1x4m h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4m h PRO 12 CO 0.41 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 1x4m n GLY 13 N 0.22 5.25 3.74 1.56 0.00 -1.26 -5.11 105.19 109.58 1x4m n GLY 13 Ca -0.08 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 1x4m n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4m s ASN 14 N -0.39 7.26 0.16 1.61 -0.87 -1.26 -4.89 114.94 116.57 1x4m s ASN 14 Ca 0.00 2.07 -0.24 0.00 -1.57 0.00 0.00 52.86 53.12 1x4m s ASN 14 Cb 0.00 -2.60 -0.08 0.00 -0.02 0.00 0.00 41.25 38.55 1x4m s ASN 14 CO 0.00 -0.23 0.75 0.00 -2.57 0.00 0.00 177.10 175.05 1x4m s ALA 15 N -0.13 3.46 0.02 0.60 0.00 -0.63 -4.85 121.76 120.23 1x4m s ALA 15 Ca 0.50 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1x4m s ALA 15 Cb -0.29 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1x4m s ALA 15 CO 0.34 0.31 -0.07 0.54 0.00 0.00 0.00 175.76 176.88 1x4m s VAL 16 N -1.19 0.54 -0.04 0.00 0.11 -1.26 -0.30 120.40 118.25 1x4m s VAL 16 Ca 0.36 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1x4m s VAL 16 Cb -0.22 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1x4m s VAL 16 CO 0.25 -0.07 0.08 -1.10 -3.33 0.00 0.00 175.10 170.93 1x4m s GLN 17 N -0.75 0.01 -0.12 1.54 -1.52 0.57 -4.96 119.66 114.42 1x4m s GLN 17 Ca -0.02 0.30 -0.03 0.00 -1.95 0.00 0.00 55.36 53.66 1x4m s GLN 17 Cb -0.06 -0.26 -0.03 0.00 -0.22 0.00 0.00 33.01 32.45 1x4m s GLN 17 CO 0.00 -0.20 -0.01 -1.21 -0.25 0.00 0.00 175.29 173.62 1x4m s GLU 18 N 1.32 3.30 0.21 2.91 2.02 -1.26 -0.04 118.70 127.16 1x4m s GLU 18 Ca -0.07 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1x4m s GLU 18 Cb -0.12 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 1x4m s GLU 18 CO -0.04 0.50 -0.08 0.96 0.02 0.00 0.00 175.26 176.62 1x4m s ILE 19 N -0.32 1.38 -0.36 -1.63 -0.00 -0.20 -4.93 121.20 115.13 1x4m s ILE 19 Ca 0.06 -2.11 -0.17 0.00 -0.00 0.00 0.00 60.65 58.43 1x4m s ILE 19 Cb -0.12 -2.14 -0.00 0.00 -0.00 0.00 0.00 42.46 40.20 1x4m s ILE 19 CO 0.02 -0.52 0.46 -0.04 -0.00 0.00 0.00 174.94 174.87 1x4m s MET 20 N -3.74 3.50 -0.17 0.37 -1.94 -1.26 0.16 119.30 116.21 1x4m s MET 20 Ca 0.24 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.83 1x4m s MET 20 Cb 0.03 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1x4m s MET 20 CO 0.06 -0.66 -0.02 0.42 -0.01 0.00 0.00 175.02 174.81 1x4m s ILE 21 N 2.26 3.91 -0.12 2.53 -1.09 -0.22 -4.93 121.20 123.55 1x4m s ILE 21 Ca 0.16 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 57.94 1x4m s ILE 21 Cb -0.16 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1x4m s ILE 21 CO 0.13 0.47 1.54 -2.16 -1.23 0.00 0.00 174.94 173.69 1x4m s PRO 22 N 0.63 4.11 0.51 2.79 0.04 -1.26 0.83 135.00 142.64 1x4m s PRO 22 Ca -0.02 1.93 0.36 0.00 0.04 0.00 0.00 61.00 63.32 1x4m s PRO 22 Cb -0.14 -3.94 1.25 0.00 0.04 0.00 0.00 34.50 31.71 1x4m s PRO 22 CO 0.02 -0.91 1.28 0.00 0.04 0.00 0.00 177.00 177.44 1x4m n ALA 23 N 7.27 1.37 -0.04 8.56 0.00 -1.26 0.17 120.51 136.58 1x4m n ALA 23 Ca 0.17 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.96 1x4m n ALA 23 Cb 0.44 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 0.23 0.75 0.00 0.02 -1.95 -3.02 113.55 109.58 1x4m h SER 24 Ca 0.68 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1x4m h SER 24 Cb 3.04 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.52 1x4m h SER 24 CO -0.01 0.52 -0.29 0.29 -1.14 0.00 0.00 176.83 176.20 1x4m n LYS 25 N -4.76 0.02 0.33 3.45 4.76 0.45 -3.72 118.16 118.70 1x4m n LYS 25 Ca -0.06 0.01 0.22 0.00 -2.87 0.00 0.00 58.31 55.61 1x4m n LYS 25 Cb 0.23 -1.52 1.18 0.00 -1.84 0.00 0.00 35.03 33.09 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 2.97 1.04 -0.02 7.82 0.00 -0.67 0.38 119.26 130.77 1x4m h ALA 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x4m h ALA 26 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x4m h ALA 26 CO 0.00 0.00 -0.14 0.41 0.00 0.00 0.00 179.25 179.52 1x4m n GLY 27 N -1.05 0.65 0.12 0.00 0.00 -1.24 -3.50 105.19 100.17 1x4m n GLY 27 Ca -0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 0.87 1.98 0.06 0.99 4.32 0.07 -3.40 117.00 121.90 1x4m n LEU 28 Ca 0.13 -0.09 -0.03 0.00 -0.02 0.00 0.00 56.01 56.00 1x4m n LEU 28 Cb 0.55 -0.44 -0.07 0.00 -1.62 0.00 0.00 43.42 41.83 1x4m n LEU 28 CO 0.19 0.79 -0.01 1.62 -1.22 0.00 0.00 177.39 178.77 1x4m h VAL 29 N 0.00 0.98 0.00 4.08 3.04 -1.61 -3.39 116.25 119.35 1x4m h VAL 29 Ca -0.57 -2.55 -0.01 0.00 -1.01 0.00 0.00 66.70 62.56 1x4m h VAL 29 Cb 2.02 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 33.72 1x4m h VAL 29 CO -0.05 0.56 -0.31 0.40 -1.01 0.00 0.00 177.57 177.15 1x4m h ILE 30 N 0.00 0.14 0.00 3.17 2.04 -1.78 -0.55 117.51 120.53 1x4m h ILE 30 Ca -0.10 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1x4m h ILE 30 Cb 1.65 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1x4m h ILE 30 CO 0.08 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1x4m n GLY 31 N 1.67 -1.66 3.29 5.37 0.00 -1.22 -1.98 105.19 110.67 1x4m n GLY 31 Ca -0.06 -1.96 -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 1.17 0.00 0.00 0.00 173.32 174.49 1x4m n LYS 32 N 0.00 2.99 0.00 1.61 4.81 -1.26 -3.96 118.16 122.36 1x4m n LYS 32 Ca 0.00 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 1x4m n LYS 32 Cb 0.00 -3.43 0.00 0.00 0.02 0.00 0.00 35.03 31.62 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4m n GLY 33 N 4.96 2.45 0.00 3.14 0.00 -1.26 -4.54 105.19 109.93 1x4m n GLY 33 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.12 0.63 0.13 -0.02 0.00 -1.22 -5.08 105.19 99.52 1x4m n GLY 34 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.67 0.32 1.61 0.28 -0.84 -3.74 120.64 118.95 1x4m n GLU 35 Ca 0.00 0.31 -0.15 0.00 -0.16 0.00 0.00 57.16 57.16 1x4m n GLU 35 Cb 0.00 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.14 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 -0.32 0.26 -0.81 3.84 2.02 -1.69 -2.94 112.91 113.27 1x4m h THR 36 Ca -0.47 -0.31 0.17 0.00 0.77 0.00 0.00 66.41 66.57 1x4m h THR 36 Cb 1.79 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 1x4m h THR 36 CO -0.08 0.03 0.54 -0.29 0.37 0.00 0.00 175.52 176.10 1x4m h ILE 37 N -1.06 0.76 -0.66 3.11 2.10 -1.10 0.80 117.51 121.47 1x4m h ILE 37 Ca -0.08 -0.15 0.01 0.00 1.08 0.00 0.00 64.86 65.71 1x4m h ILE 37 Cb 0.68 0.29 -0.03 0.00 -1.09 0.00 0.00 36.82 36.67 1x4m h ILE 37 CO 0.14 0.08 0.43 0.50 -1.08 0.00 0.00 178.15 178.22 1x4m h LYS 38 N 0.43 0.87 0.00 2.19 3.64 -1.61 -0.95 116.57 121.13 1x4m h LYS 38 Ca 0.41 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1x4m h LYS 38 Cb 0.95 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1x4m h LYS 38 CO -0.14 0.58 -0.15 1.96 -2.27 0.00 0.00 179.45 179.43 1x4m h GLN 39 N 0.89 0.00 0.00 1.90 4.20 -0.67 -2.95 115.11 118.48 1x4m h GLN 39 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1x4m h GLN 39 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1x4m h GLN 39 CO -0.05 0.15 0.00 -0.07 -0.67 0.00 0.00 178.83 178.19 1x4m h LEU 40 N 0.00 0.00 -0.84 1.46 3.38 -0.84 -2.87 115.31 115.59 1x4m h LEU 40 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1x4m h LEU 40 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1x4m h LEU 40 CO 0.02 0.00 -0.57 1.56 0.09 0.00 0.00 178.44 179.54 1x4m h GLN 41 N 0.00 0.02 0.16 1.13 4.20 -1.33 -3.13 115.11 116.16 1x4m h GLN 41 Ca 0.00 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1x4m h GLN 41 Cb 0.71 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.51 1x4m h GLN 41 CO 0.00 0.59 -1.40 0.93 -0.67 0.00 0.00 178.83 178.27 1x4m h GLU 42 N 0.01 0.34 -0.99 1.46 5.08 -1.66 0.97 114.58 119.80 1x4m h GLU 42 Ca -0.01 -0.59 0.21 0.00 -1.00 0.00 0.00 59.36 57.98 1x4m h GLU 42 Cb 1.02 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 1x4m h GLU 42 CO 0.08 1.28 0.58 0.00 -1.00 0.00 0.00 179.01 179.95 1x4m h ARG 43 N -0.14 0.64 0.00 2.33 2.47 -1.53 -2.73 114.38 115.42 1x4m h ARG 43 Ca -0.28 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.26 1x4m h ARG 43 Cb 1.90 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 30.04 1x4m h ARG 43 CO 0.14 0.42 -1.77 0.00 0.56 0.00 0.00 179.97 179.33 1x4m n ALA 44 N -2.34 1.97 -1.38 0.04 0.00 -1.19 -5.04 120.51 112.57 1x4m n ALA 44 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1x4m n ALA 44 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.69 3.09 0.00 0.00 0.29 -4.86 105.19 106.47 1x4m n GLY 45 Ca -0.14 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.41 0.17 -0.32 1.61 -7.23 0.16 -4.69 120.40 107.69 1x4m s VAL 46 Ca 0.00 -1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 1x4m s VAL 46 Cb 0.00 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 1x4m s VAL 46 CO 0.00 -0.78 0.61 -0.75 -0.31 0.00 0.00 175.10 173.88 1x4m s LYS 47 N -3.16 3.84 -0.36 4.82 2.20 0.13 -4.10 119.74 123.10 1x4m s LYS 47 Ca -0.00 0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.68 1x4m s LYS 47 Cb 0.02 -3.75 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1x4m s LYS 47 CO -0.07 -0.60 0.26 -1.64 -0.36 0.00 0.00 175.35 172.94 1x4m s MET 48 N 2.60 3.31 -0.14 4.03 -1.94 -1.26 -0.71 119.30 125.18 1x4m s MET 48 Ca 0.24 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 1x4m s MET 48 Cb -0.15 -3.87 0.01 0.00 2.01 0.00 0.00 34.83 32.84 1x4m s MET 48 CO 0.12 -0.55 -0.20 0.08 -0.01 0.00 0.00 175.02 174.46 1x4m s VAL 49 N 1.71 1.93 -0.29 -6.03 1.01 0.47 -4.96 120.40 114.24 1x4m s VAL 49 Ca 0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1x4m s VAL 49 Cb -0.18 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1x4m s VAL 49 CO 0.10 0.52 0.79 -0.04 0.00 0.00 0.00 175.10 176.47 1x4m s MET 50 N 0.98 4.01 -0.21 2.72 -1.94 -1.26 0.17 119.30 123.78 1x4m s MET 50 Ca -0.04 0.65 -0.17 0.00 -1.71 0.00 0.00 55.69 54.42 1x4m s MET 50 Cb -0.15 -3.71 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 1x4m s MET 50 CO -0.05 -0.63 0.45 0.42 -0.01 0.00 0.00 175.02 175.20 1x4m s ILE 51 N 2.91 5.15 0.04 2.53 -1.09 0.29 -4.92 121.20 126.10 1x4m s ILE 51 Ca 0.32 0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 59.50 1x4m s ILE 51 Cb -0.14 -3.78 -0.29 0.00 -1.58 0.00 0.00 42.46 36.67 1x4m s ILE 51 CO 0.11 0.21 0.99 -0.61 -1.23 0.00 0.00 174.94 174.41 1x4m h GLN 52 N 7.47 0.30 -3.35 2.79 4.15 -1.96 -3.08 115.11 121.43 1x4m h GLN 52 Ca -0.35 -0.52 -0.50 0.00 0.77 0.00 0.00 58.65 58.06 1x4m h GLN 52 Cb 1.16 0.19 -0.40 0.00 0.21 0.00 0.00 27.48 28.64 1x4m h GLN 52 CO 0.72 1.21 -0.76 0.16 -1.93 0.00 0.00 178.83 178.23 1x4m s ASP 53 N -7.14 2.78 0.00 -0.69 -4.77 -1.26 -4.84 116.67 100.75 1x4m s ASP 53 Ca -0.07 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.38 1x4m s ASP 53 Cb 0.06 -0.47 0.00 0.00 -1.09 0.00 0.00 42.92 41.42 1x4m s ASP 53 CO 0.88 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 177.03 1x4m n GLY 54 N 5.13 0.99 3.77 2.12 0.00 -1.26 -5.10 105.19 110.83 1x4m n GLY 54 Ca -0.08 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 0.49 4.29 0.17 1.61 0.04 -1.26 -4.95 135.00 135.39 1x4m s PRO 55 Ca 0.00 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1x4m s PRO 55 Cb 0.00 -2.94 0.07 0.00 0.04 0.00 0.00 34.50 31.67 1x4m s PRO 55 CO 0.00 -0.16 1.81 1.96 0.04 0.00 0.00 177.00 180.65 1x4m h GLN 56 N 3.18 0.75 -6.00 4.56 4.20 -2.04 -3.37 115.11 116.38 1x4m h GLN 56 Ca -0.48 -0.07 -0.58 0.00 0.06 0.00 0.00 58.65 57.58 1x4m h GLN 56 Cb 1.23 -0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.74 1x4m h GLN 56 CO 0.65 0.54 0.80 1.21 -0.67 0.00 0.00 178.83 181.35 1x4m s ASN 57 N -5.78 6.23 -0.29 1.46 3.84 -1.26 -4.94 114.94 114.20 1x4m s ASN 57 Ca -0.13 -0.54 -0.16 0.00 0.21 0.00 0.00 52.86 52.23 1x4m s ASN 57 Cb 0.12 -2.49 0.15 0.00 -0.55 0.00 0.00 41.25 38.48 1x4m s ASN 57 CO 0.76 -1.56 1.00 0.28 -2.79 0.00 0.00 177.10 174.78 1x4m s THR 58 N 4.79 0.00 0.00 -5.21 -1.32 -1.26 -5.15 115.64 107.50 1x4m s THR 58 Ca 0.31 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1x4m s THR 58 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1x4m s THR 58 CO 0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1x4m n GLY 59 N 3.62 0.43 3.45 6.08 0.00 -1.26 -4.91 105.19 112.59 1x4m n GLY 59 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m n ALA 60 N -3.00 3.91 -3.57 4.61 0.00 -1.26 -4.85 120.51 116.35 1x4m n ALA 60 Ca 0.00 -4.10 0.01 0.00 0.00 0.00 0.00 53.44 49.35 1x4m n ALA 60 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.14 1x4m n ALA 60 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x4m s ASP 61 N 3.20 -0.22 -0.25 0.00 1.47 -1.26 -4.53 116.67 115.07 1x4m s ASP 61 Ca 0.47 0.35 -0.19 0.00 1.18 0.00 0.00 52.55 54.35 1x4m s ASP 61 Cb 0.01 1.13 -0.02 0.00 -0.34 0.00 0.00 42.92 43.69 1x4m s ASP 61 CO 0.03 -0.05 0.57 -0.54 0.68 0.00 0.00 175.17 175.85 1x4m s LYS 62 N 1.35 4.10 -0.21 2.11 -0.14 0.24 -4.78 119.74 122.41 1x4m s LYS 62 Ca -0.07 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.69 1x4m s LYS 62 Cb -0.03 -3.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1x4m s LYS 62 CO -0.12 -0.37 1.61 -1.25 -0.76 0.00 0.00 175.35 174.46 1x4m s PRO 63 N 2.36 3.82 -0.34 -1.68 0.04 -1.17 -1.05 135.00 136.99 1x4m s PRO 63 Ca 0.24 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1x4m s PRO 63 Cb -0.16 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.35 1x4m s PRO 63 CO 0.09 -1.26 0.42 -1.17 0.04 0.00 0.00 177.00 175.12 1x4m s LEU 64 N 5.11 4.36 -0.19 -3.56 2.96 0.12 -0.55 118.68 126.93 1x4m s LEU 64 Ca 0.71 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 54.35 1x4m s LEU 64 Cb -0.25 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1x4m s LEU 64 CO 0.29 -0.37 0.47 -0.60 -1.32 0.00 0.00 176.35 174.81 1x4m s ARG 65 N 2.16 4.19 -0.27 1.98 3.52 0.13 -1.03 118.95 129.63 1x4m s ARG 65 Ca 0.15 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 56.07 1x4m s ARG 65 Cb -0.16 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1x4m s ARG 65 CO 0.12 -0.08 -0.04 0.42 -0.81 0.00 0.00 175.30 174.90 1x4m s ILE 66 N 1.43 2.81 0.12 4.11 1.01 0.95 -0.39 121.20 131.24 1x4m s ILE 66 Ca 0.22 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1x4m s ILE 66 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1x4m s ILE 66 CO 0.09 0.04 0.13 0.42 0.00 0.00 0.00 174.94 175.62 1x4m s THR 67 N 1.26 4.64 0.00 2.92 -4.23 0.11 -0.32 115.64 120.03 1x4m s THR 67 Ca -0.03 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1x4m s THR 67 Cb -0.18 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1x4m s THR 67 CO -0.03 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1x4m n GLY 68 N 0.05 -0.66 3.54 3.99 0.00 0.59 0.17 105.19 112.87 1x4m n GLY 68 Ca -0.08 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 3.89 0.37 1.61 1.11 -1.26 -1.60 116.67 116.80 1x4m s ASP 69 Ca 0.00 -0.98 0.16 0.00 0.18 0.00 0.00 52.55 51.91 1x4m s ASP 69 Cb 0.00 -0.45 0.74 0.00 1.07 0.00 0.00 42.92 44.28 1x4m s ASP 69 CO 0.00 -0.06 1.79 1.55 1.18 0.00 0.00 175.17 179.63 1x4m h PRO 70 N 2.07 0.00 0.00 8.23 0.13 -1.90 0.44 132.00 140.98 1x4m h PRO 70 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1x4m h PRO 70 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1x4m h PRO 70 CO 0.63 0.38 -1.30 0.98 -0.23 0.00 0.00 178.00 178.47 1x4m n TYR 71 N -3.77 0.90 -0.07 1.56 9.36 -1.26 -4.01 117.16 119.86 1x4m n TYR 71 Ca -0.01 0.28 -0.06 0.00 3.32 0.00 0.00 57.90 61.43 1x4m n TYR 71 Cb 0.46 -1.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.15 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1x4m n LYS 72 N -2.75 0.46 -0.33 2.98 5.02 -1.13 -3.91 118.16 118.50 1x4m n LYS 72 Ca -0.06 0.40 0.23 0.00 -2.02 0.00 0.00 58.31 56.86 1x4m n LYS 72 Cb 0.70 -1.56 0.44 0.00 -0.02 0.00 0.00 35.03 34.59 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 -4.47 -0.41 -0.16 -0.18 0.31 0.15 0.21 118.33 113.78 1x4m n VAL 73 Ca -0.09 2.07 -0.05 0.00 -0.01 0.00 0.00 64.34 66.26 1x4m n VAL 73 Cb 0.34 -3.19 0.14 0.00 -0.91 0.00 0.00 33.84 30.23 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 0.91 0.41 5.55 1.08 -1.72 -1.82 115.11 119.52 1x4m h GLN 74 Ca 0.72 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.68 1x4m h GLN 74 Cb 1.72 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1x4m h GLN 74 CO -0.84 0.84 -0.20 1.96 -0.95 0.00 0.00 178.83 179.64 1x4m h GLN 75 N 0.86 -0.54 -0.06 1.46 1.08 0.23 -3.29 115.11 114.84 1x4m h GLN 75 Ca 0.18 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.45 1x4m h GLN 75 Cb 0.37 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.86 1x4m h GLN 75 CO 0.01 -0.23 -0.40 0.00 -0.95 0.00 0.00 178.83 177.26 1x4m h ALA 76 N -0.66 -0.59 -0.98 3.87 0.00 -1.09 -0.82 119.26 119.00 1x4m h ALA 76 Ca -0.06 -0.02 0.35 0.00 0.00 0.00 0.00 54.91 55.18 1x4m h ALA 76 Cb 0.55 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1x4m h ALA 76 CO 0.09 -0.92 0.61 1.17 0.00 0.00 0.00 179.25 180.21 1x4m n LYS 77 N -5.44 -0.03 -0.04 0.00 4.81 -0.69 0.18 118.16 116.95 1x4m n LYS 77 Ca -0.05 0.96 -0.14 0.00 -0.87 0.00 0.00 58.31 58.21 1x4m n LYS 77 Cb 0.36 -1.85 -0.12 0.00 0.02 0.00 0.00 35.03 33.45 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 0.07 -0.81 1.64 5.08 -1.22 -1.90 114.58 117.43 1x4m h GLU 78 Ca 0.65 -0.07 0.18 0.00 -1.00 0.00 0.00 59.36 59.13 1x4m h GLU 78 Cb 2.04 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1x4m h GLU 78 CO -0.39 0.83 0.54 0.52 -1.00 0.00 0.00 179.01 179.51 1x4m h MET 79 N -0.67 0.33 0.09 2.33 2.86 0.21 -0.84 114.93 119.23 1x4m h MET 79 Ca -0.01 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1x4m h MET 79 Cb 0.86 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.46 1x4m h MET 79 CO 0.02 0.22 -0.54 0.28 1.06 0.00 0.00 176.91 177.95 1x4m h VAL 80 N 0.34 1.59 -0.73 -2.22 2.07 -1.18 -3.20 116.25 112.93 1x4m h VAL 80 Ca 0.41 -2.43 0.11 0.00 0.82 0.00 0.00 66.70 65.61 1x4m h VAL 80 Cb 1.07 3.21 -0.08 0.00 -1.52 0.00 0.00 31.29 33.97 1x4m h VAL 80 CO -0.12 0.67 0.33 -0.07 0.02 0.00 0.00 177.57 178.40 1x4m h LEU 81 N -0.55 0.38 -1.82 2.57 3.38 -0.47 0.16 115.31 118.97 1x4m h LEU 81 Ca -0.09 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1x4m h LEU 81 Cb 1.40 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1x4m h LEU 81 CO 0.10 0.20 -0.15 -0.08 0.09 0.00 0.00 178.44 178.60 1x4m h GLU 82 N 0.53 0.00 -0.48 1.13 4.81 -1.30 -1.09 114.58 118.18 1x4m h GLU 82 Ca 0.38 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1x4m h GLU 82 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1x4m h GLU 82 CO -0.32 0.15 -0.23 1.25 -0.73 0.00 0.00 179.01 179.13 1x4m h LEU 83 N 0.00 1.03 0.00 1.64 7.12 -0.68 -2.95 115.31 121.47 1x4m h LEU 83 Ca -0.00 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1x4m h LEU 83 Cb 0.33 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1x4m h LEU 83 CO 0.02 1.20 -0.30 0.16 -0.13 0.00 0.00 178.44 179.39 1x4m h ILE 84 N 0.86 0.00 -4.34 4.05 3.07 -1.06 -3.47 117.51 116.62 1x4m h ILE 84 Ca 0.11 -0.85 -0.49 0.00 1.55 0.00 0.00 64.86 65.18 1x4m h ILE 84 Cb 0.81 1.69 0.10 0.00 -0.27 0.00 0.00 36.82 39.15 1x4m h ILE 84 CO 0.07 0.00 0.36 -0.13 -1.05 0.00 0.00 178.15 177.39 1x4m s ARG 85 N -3.22 2.20 0.00 0.16 0.52 -0.46 -4.93 118.95 113.22 1x4m s ARG 85 Ca 0.06 0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.84 1x4m s ARG 85 Cb 0.08 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 1x4m s ARG 85 CO 0.69 -1.52 -0.05 -0.51 0.02 0.00 0.00 175.30 173.93 1x4m s ASP 86 N -4.05 0.56 -0.30 0.23 1.01 -1.26 -4.96 116.67 107.90 1x4m s ASP 86 Ca 0.60 -0.14 -0.13 0.00 0.71 0.00 0.00 52.55 53.59 1x4m s ASP 86 Cb -0.13 -0.05 0.17 0.00 1.01 0.00 0.00 42.92 43.92 1x4m s ASP 86 CO 0.53 0.02 0.99 -1.58 0.21 0.00 0.00 175.17 175.34 1x4m s GLN 87 N -0.29 0.27 -0.65 8.23 -0.44 -1.26 -5.11 119.66 120.41 1x4m s GLN 87 Ca 0.00 0.61 -0.04 0.00 -2.50 0.00 0.00 55.36 53.43 1x4m s GLN 87 Cb -0.03 0.36 0.17 0.00 -1.64 0.00 0.00 33.01 31.87 1x4m s GLN 87 CO -0.00 -0.17 0.47 0.20 0.50 0.00 0.00 175.29 176.29 1x4m s GLY 88 N 2.62 2.52 0.28 2.59 0.00 -1.26 -5.07 107.32 109.01 1x4m s GLY 88 Ca -0.00 -3.27 -0.28 0.00 0.00 0.00 0.00 44.72 41.17 1x4m s GLY 88 CO -0.16 1.12 0.98 -0.45 0.00 0.00 0.00 173.10 174.59 1x4m s SER 89 N 0.83 7.42 0.00 1.64 0.15 -1.26 -4.78 113.70 117.70 1x4m s SER 89 Ca 0.17 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1x4m s SER 89 Cb -0.19 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1x4m s SER 89 CO -0.04 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x4m n GLY 90 N 1.07 -1.46 3.58 9.45 0.00 -1.26 -5.01 105.19 111.56 1x4m n GLY 90 Ca -0.00 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 2.50 -1.33 1.61 0.04 -1.26 -4.25 135.00 132.31 1x4m s PRO 91 Ca 0.00 -1.16 -0.02 0.00 0.04 0.00 0.00 61.00 59.86 1x4m s PRO 91 Cb 0.00 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1x4m s PRO 91 CO 0.00 -3.97 0.03 0.43 0.04 0.00 0.00 177.00 173.53 1x4m n SER 92 N 14.36 0.59 -0.02 6.66 7.64 -1.26 -4.82 113.62 136.78 1x4m n SER 92 Ca 0.45 -1.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.10 1x4m n SER 92 Cb 0.47 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.22 1x4m n SER 92 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x4m h SER 93 N -1.44 0.12 0.00 6.43 0.87 -1.87 -3.54 113.55 114.13 1x4m h SER 93 Ca -0.57 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1x4m h SER 93 Cb 1.21 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x4m h SER 93 CO 0.61 0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.88