#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 -2.73 -3.82 1.61 2.88 -1.26 -4.92 113.62 105.38 1x4m n SER 2 Ca 0.00 -1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 56.42 1x4m n SER 2 Cb 0.00 -2.72 -0.06 0.00 -0.75 0.00 0.00 64.21 60.68 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 -3.47 -0.07 0.00 -3.46 1.04 -1.26 -5.14 113.70 101.35 1x4m s SER 3 Ca 0.62 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1x4m s SER 3 Cb -0.34 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1x4m s SER 3 CO 0.93 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1x4m n GLY 4 N -0.21 2.91 3.04 7.32 0.00 -1.26 -5.04 105.19 111.95 1x4m n GLY 4 Ca -0.12 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 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 5.39 -0.06 1.61 0.01 -1.26 -5.07 113.70 114.32 1x4m s SER 5 Ca 0.00 -3.50 -0.30 0.00 1.31 0.00 0.00 55.95 53.47 1x4m s SER 5 Cb 0.00 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1x4m s SER 5 CO 0.00 -0.21 1.21 -0.55 0.41 0.00 0.00 173.24 174.10 1x4m s SER 6 N -0.29 7.04 0.00 2.44 0.15 -1.26 -5.02 113.70 116.76 1x4m s SER 6 Ca 0.23 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1x4m s SER 6 Cb -0.11 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1x4m s SER 6 CO -0.10 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1x4m n GLY 7 N 3.39 -1.24 3.11 9.45 0.00 -1.26 -5.04 105.19 113.60 1x4m n GLY 7 Ca 0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1x4m n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4m s HIS 8 N 0.00 1.09 0.00 1.61 0.00 -1.26 -5.09 115.29 111.64 1x4m s HIS 8 Ca 0.00 -0.32 0.00 0.00 -3.00 0.00 0.00 55.06 51.74 1x4m s HIS 8 Cb 0.00 -0.66 0.00 0.00 -4.00 0.00 0.00 32.58 27.92 1x4m s HIS 8 CO 0.00 0.01 0.00 0.41 -1.00 0.00 0.00 174.74 174.16 1x4m n GLY 9 N 2.08 -0.15 3.11 -1.38 0.00 -1.26 -5.11 105.19 102.47 1x4m n GLY 9 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1x4m n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x4m s ASP 10 N -3.04 0.01 0.00 1.61 2.15 -1.26 -5.10 116.67 111.04 1x4m s ASP 10 Ca 0.00 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1x4m s ASP 10 Cb 0.00 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1x4m s ASP 10 CO 0.00 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1x4m n GLY 11 N 1.51 -0.54 3.67 2.66 0.00 -1.26 -5.12 105.19 106.11 1x4m n GLY 11 Ca -0.22 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1x4m n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 12 N -1.09 4.22 0.00 1.61 0.04 -1.26 -4.57 135.00 133.95 1x4m s PRO 12 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x4m s PRO 12 Cb 0.00 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1x4m s PRO 12 CO 0.00 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1x4m n GLY 13 N 3.89 0.93 3.82 0.56 0.00 -1.26 -5.14 105.19 107.99 1x4m n GLY 13 Ca 0.15 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 5.95 0.21 1.61 -0.87 -1.26 -4.92 114.94 115.65 1x4m s ASN 14 Ca 0.00 0.26 -0.20 0.00 -1.57 0.00 0.00 52.86 51.36 1x4m s ASN 14 Cb 0.00 -1.79 -0.08 0.00 -0.02 0.00 0.00 41.25 39.36 1x4m s ASN 14 CO 0.00 0.31 0.71 0.00 -2.57 0.00 0.00 177.10 175.55 1x4m s ALA 15 N -1.16 3.43 -0.04 0.60 0.00 -0.59 -4.85 121.76 119.15 1x4m s ALA 15 Ca 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 1x4m s ALA 15 Cb -0.12 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1x4m s ALA 15 CO 0.12 0.34 0.01 0.54 0.00 0.00 0.00 175.76 176.76 1x4m s VAL 16 N -1.48 0.19 -0.12 0.00 0.11 -1.26 -0.45 120.40 117.39 1x4m s VAL 16 Ca 0.42 0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1x4m s VAL 16 Cb -0.17 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1x4m s VAL 16 CO 0.21 0.18 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.88 1x4m s GLN 17 N 1.41 2.56 -0.17 1.54 -1.52 0.72 -4.93 119.66 119.28 1x4m s GLN 17 Ca -0.04 -0.69 -0.06 0.00 -1.95 0.00 0.00 55.36 52.62 1x4m s GLN 17 Cb -0.13 -2.12 -0.04 0.00 -0.22 0.00 0.00 33.01 30.51 1x4m s GLN 17 CO -0.03 -0.04 0.03 -1.21 -0.25 0.00 0.00 175.29 173.79 1x4m s GLU 18 N 0.91 3.80 0.22 2.91 2.02 -1.26 -0.32 118.70 126.98 1x4m s GLU 18 Ca -0.07 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 54.58 1x4m s GLU 18 Cb -0.15 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 1x4m s GLU 18 CO -0.02 0.31 -0.07 0.96 0.02 0.00 0.00 175.26 176.46 1x4m s ILE 19 N 0.23 1.37 -0.23 -1.63 -0.00 -0.39 -4.93 121.20 115.62 1x4m s ILE 19 Ca 0.02 -2.10 -0.14 0.00 -0.00 0.00 0.00 60.65 58.42 1x4m s ILE 19 Cb -0.13 -2.18 -0.04 0.00 -0.00 0.00 0.00 42.46 40.11 1x4m s ILE 19 CO 0.01 -0.49 0.34 -0.04 -0.00 0.00 0.00 174.94 174.77 1x4m s MET 20 N -3.75 4.10 -0.11 0.37 -1.94 -1.26 0.25 119.30 116.95 1x4m s MET 20 Ca 0.24 0.05 0.03 0.00 -1.71 0.00 0.00 55.69 54.30 1x4m s MET 20 Cb 0.03 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.28 1x4m s MET 20 CO 0.07 -0.10 -0.20 0.42 -0.01 0.00 0.00 175.02 175.19 1x4m s ILE 21 N 1.53 2.41 -0.02 2.53 -1.09 -0.07 -4.92 121.20 121.57 1x4m s ILE 21 Ca 0.15 -0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 1x4m s ILE 21 Cb -0.15 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1x4m s ILE 21 CO 0.08 0.55 1.46 -2.16 -1.23 0.00 0.00 174.94 173.64 1x4m s PRO 22 N 0.33 4.25 0.63 2.79 0.04 -1.26 0.66 135.00 142.44 1x4m s PRO 22 Ca -0.16 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.09 1x4m s PRO 22 Cb -0.17 -3.67 0.87 0.00 0.04 0.00 0.00 34.50 31.57 1x4m s PRO 22 CO 0.08 -0.65 1.42 0.00 0.04 0.00 0.00 177.00 177.89 1x4m h ALA 23 N 8.23 2.25 0.13 8.56 0.00 -1.88 0.31 119.26 136.87 1x4m h ALA 23 Ca -0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1x4m h ALA 23 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x4m h ALA 23 CO 0.92 -1.10 -0.06 1.03 0.00 0.00 0.00 179.25 180.05 1x4m h SER 24 N 0.00 -0.14 -0.20 0.00 0.87 -1.96 -3.12 113.55 109.01 1x4m h SER 24 Ca 0.21 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x4m h SER 24 Cb 1.94 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 1x4m h SER 24 CO -0.00 0.35 0.00 0.29 -0.53 0.00 0.00 176.83 176.93 1x4m n LYS 25 N -4.94 1.49 0.00 2.24 4.76 0.96 -3.71 118.16 118.96 1x4m n LYS 25 Ca -0.08 -0.75 0.12 0.00 -2.87 0.00 0.00 58.31 54.72 1x4m n LYS 25 Cb 0.26 -1.19 0.53 0.00 -1.84 0.00 0.00 35.03 32.80 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m n ALA 26 N 0.09 2.13 0.38 7.82 0.00 -0.34 -2.82 120.51 127.78 1x4m n ALA 26 Ca 0.08 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1x4m n ALA 26 Cb 0.19 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.35 1x4m n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 27 N 0.99 0.94 0.10 0.00 0.00 -1.24 -3.78 105.19 102.19 1x4m n GLY 27 Ca 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.92 2.04 0.04 0.99 4.32 -1.13 -3.44 117.00 120.73 1x4m n LEU 28 Ca 0.12 -0.08 -0.01 0.00 -0.02 0.00 0.00 56.01 56.01 1x4m n LEU 28 Cb 0.43 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.75 1x4m n LEU 28 CO 0.10 0.74 -0.22 1.62 -1.22 0.00 0.00 177.39 178.41 1x4m h VAL 29 N 0.00 0.61 0.00 4.08 3.04 -1.78 -3.39 116.25 118.82 1x4m h VAL 29 Ca -0.50 -2.14 -0.20 0.00 -1.01 0.00 0.00 66.70 62.86 1x4m h VAL 29 Cb 1.88 2.14 -0.03 0.00 -2.01 0.00 0.00 31.29 33.27 1x4m h VAL 29 CO -0.05 0.35 -1.12 0.40 -1.01 0.00 0.00 177.57 176.14 1x4m h ILE 30 N 0.00 0.84 0.00 3.17 2.04 -1.80 0.38 117.51 122.14 1x4m h ILE 30 Ca -0.15 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1x4m h ILE 30 Cb 1.62 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1x4m h ILE 30 CO 0.05 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.10 1x4m n GLY 31 N 1.46 -1.35 3.55 5.37 0.00 -1.22 -0.89 105.19 112.11 1x4m n GLY 31 Ca -0.28 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1x4m n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4m s LYS 32 N -1.60 2.16 -0.04 1.61 2.36 -1.26 -2.32 119.74 120.65 1x4m s LYS 32 Ca 0.00 0.64 -0.00 0.00 -2.55 0.00 0.00 55.97 54.05 1x4m s LYS 32 Cb 0.00 -4.70 0.00 0.00 -1.05 0.00 0.00 37.83 32.08 1x4m s LYS 32 CO 0.00 -3.52 0.03 0.41 1.55 0.00 0.00 175.35 173.82 1x4m n GLY 33 N 6.34 0.79 3.73 5.54 0.00 -1.26 -4.07 105.19 116.27 1x4m n GLY 33 Ca 0.37 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.66 -0.56 0.10 -0.02 0.00 -0.98 -4.91 105.19 98.16 1x4m n GLY 34 Ca -0.00 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1x4m n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4m n GLU 35 N -4.21 0.68 -0.07 1.61 2.13 -0.07 -3.84 120.64 116.86 1x4m n GLU 35 Ca -0.22 0.25 -0.08 0.00 0.66 0.00 0.00 57.16 57.76 1x4m n GLU 35 Cb 0.65 -1.72 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1x4m h THR 36 N 0.02 0.54 -1.04 6.31 2.02 -1.52 -3.36 112.91 115.87 1x4m h THR 36 Ca -0.37 -1.50 0.28 0.00 0.77 0.00 0.00 66.41 65.59 1x4m h THR 36 Cb 2.04 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 1x4m h THR 36 CO 0.07 0.18 0.71 -0.29 0.37 0.00 0.00 175.52 176.56 1x4m h ILE 37 N -1.00 0.51 -0.38 3.11 2.10 -0.15 0.48 117.51 122.17 1x4m h ILE 37 Ca -0.07 -0.08 0.05 0.00 1.08 0.00 0.00 64.86 65.85 1x4m h ILE 37 Cb 0.60 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 36.58 1x4m h ILE 37 CO -0.04 0.04 0.26 0.50 -1.08 0.00 0.00 178.15 177.83 1x4m h LYS 38 N 0.22 0.30 0.00 2.19 3.64 -1.70 0.40 116.57 121.61 1x4m h LYS 38 Ca 0.55 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 1x4m h LYS 38 Cb 1.72 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1x4m h LYS 38 CO -0.16 0.20 -0.10 1.96 -2.27 0.00 0.00 179.45 179.09 1x4m h GLN 39 N 0.31 0.00 0.00 1.90 4.20 -0.20 -3.15 115.11 118.17 1x4m h GLN 39 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1x4m h GLN 39 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1x4m h GLN 39 CO -0.04 0.04 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.09 1x4m h LEU 40 N 0.00 0.00 -0.84 1.46 3.38 -0.75 -2.97 115.31 115.59 1x4m h LEU 40 Ca -0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1x4m h LEU 40 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1x4m h LEU 40 CO 0.01 0.00 -0.56 1.56 0.09 0.00 0.00 178.44 179.54 1x4m h GLN 41 N 0.00 0.06 0.12 1.13 4.20 -1.42 -2.80 115.11 116.41 1x4m h GLN 41 Ca 0.00 -0.04 -0.36 0.00 0.06 0.00 0.00 58.65 58.31 1x4m h GLN 41 Cb 0.77 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1x4m h GLN 41 CO 0.00 0.61 -1.97 -0.85 -0.67 0.00 0.00 178.83 175.95 1x4m n GLU 42 N -3.88 0.75 -0.30 1.46 0.28 -1.21 -0.28 120.64 117.47 1x4m n GLU 42 Ca -0.02 0.27 0.06 0.00 -0.16 0.00 0.00 57.16 57.31 1x4m n GLU 42 Cb 0.57 -1.72 0.27 0.00 1.43 0.00 0.00 31.44 31.99 1x4m n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4m h ARG 43 N 0.07 0.93 -0.11 3.44 3.08 -1.56 -1.37 114.38 118.86 1x4m h ARG 43 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1x4m h ARG 43 Cb 2.04 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.88 1x4m h ARG 43 CO 0.09 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1x4m n ALA 44 N -2.40 2.45 -3.42 0.04 0.00 -1.06 -4.97 120.51 111.15 1x4m n ALA 44 Ca 0.15 -0.74 -0.25 0.00 0.00 0.00 0.00 53.44 52.60 1x4m n ALA 44 Cb 0.26 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 1.14 -0.51 3.29 0.00 0.00 -0.52 -4.67 105.19 103.92 1x4m n GLY 45 Ca 0.13 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.16 0.01 -0.16 1.61 -7.23 0.62 -4.66 120.40 107.43 1x4m s VAL 46 Ca 0.46 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1x4m s VAL 46 Cb -0.22 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1x4m s VAL 46 CO 0.57 -0.07 0.20 -0.75 -0.31 0.00 0.00 175.10 174.74 1x4m s LYS 47 N -4.11 4.03 -0.23 4.82 2.20 0.56 -4.15 119.74 122.87 1x4m s LYS 47 Ca 0.32 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.83 1x4m s LYS 47 Cb 0.05 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1x4m s LYS 47 CO 0.10 0.41 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.81 1x4m s MET 48 N -0.00 3.23 -0.17 4.03 -1.94 -1.26 -1.50 119.30 121.68 1x4m s MET 48 Ca 0.13 -0.72 -0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1x4m s MET 48 Cb -0.12 -3.00 0.05 0.00 2.01 0.00 0.00 34.83 33.76 1x4m s MET 48 CO 0.02 -0.25 -0.03 0.08 -0.01 0.00 0.00 175.02 174.83 1x4m s VAL 49 N 1.44 0.99 -0.26 -6.03 1.01 -0.34 -5.01 120.40 112.20 1x4m s VAL 49 Ca 0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1x4m s VAL 49 Cb -0.15 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1x4m s VAL 49 CO -0.04 0.03 1.25 -0.04 0.00 0.00 0.00 175.10 176.31 1x4m s MET 50 N 1.67 4.05 -0.15 2.72 -1.94 -1.26 -0.39 119.30 123.99 1x4m s MET 50 Ca -0.00 1.36 -0.24 0.00 -1.71 0.00 0.00 55.69 55.09 1x4m s MET 50 Cb -0.16 -3.82 -0.02 0.00 2.01 0.00 0.00 34.83 32.84 1x4m s MET 50 CO -0.07 -0.95 0.76 0.42 -0.01 0.00 0.00 175.02 175.17 1x4m s ILE 51 N 3.97 4.95 -0.24 2.53 -1.09 0.26 -4.93 121.20 126.66 1x4m s ILE 51 Ca 0.54 1.50 0.04 0.00 -2.23 0.00 0.00 60.65 60.50 1x4m s ILE 51 Cb -0.17 -4.08 -0.17 0.00 -1.58 0.00 0.00 42.46 36.46 1x4m s ILE 51 CO 0.19 0.10 -0.18 1.67 -1.23 0.00 0.00 174.94 175.49 1x4m n GLN 52 N 4.81 0.65 -1.53 2.79 7.27 -1.26 -3.50 117.38 126.61 1x4m n GLN 52 Ca 0.02 0.12 -0.30 0.00 0.07 0.00 0.00 57.00 56.91 1x4m n GLN 52 Cb 0.50 -1.49 0.08 0.00 2.41 0.00 0.00 30.24 31.73 1x4m n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1x4m s ASP 53 N -6.24 4.72 0.00 1.69 2.15 -1.26 -4.88 116.67 112.85 1x4m s ASP 53 Ca -0.30 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1x4m s ASP 53 Cb 0.08 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1x4m s ASP 53 CO 0.60 -1.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 1x4m n GLY 54 N -1.99 0.73 0.00 2.66 0.00 -1.26 -4.98 105.19 100.35 1x4m n GLY 54 Ca 0.07 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 0.49 -1.54 1.61 -0.04 -1.26 -4.54 135.00 129.71 1x4m n PRO 55 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1x4m n PRO 55 Cb 0.00 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.89 0.91 -3.85 0.54 1.13 -1.26 -3.14 117.38 110.82 1x4m n GLN 56 Ca 0.09 0.03 -0.26 0.00 -1.94 0.00 0.00 57.00 54.92 1x4m n GLN 56 Cb 0.04 -3.08 -0.04 0.00 0.11 0.00 0.00 30.24 27.27 1x4m n GLN 56 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1x4m n ASN 57 N 14.65 -0.74 -4.50 1.08 5.15 -1.26 -4.89 115.26 124.74 1x4m n ASN 57 Ca 0.42 -0.90 -0.33 0.00 -0.60 0.00 0.00 54.58 53.16 1x4m n ASN 57 Cb 0.45 -1.10 -0.12 0.00 -0.53 0.00 0.00 39.78 38.47 1x4m n ASN 57 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x4m s THR 58 N -3.97 3.53 0.00 -0.44 -1.32 -1.19 -5.10 115.64 107.15 1x4m s THR 58 Ca 0.14 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1x4m s THR 58 Cb -0.08 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1x4m s THR 58 CO 0.69 0.56 0.00 0.61 -2.21 0.00 0.00 174.62 174.27 1x4m n GLY 59 N 2.82 5.04 3.57 6.08 0.00 -1.26 -4.99 105.19 116.46 1x4m n GLY 59 Ca -0.18 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 1.95 -3.72 4.61 0.00 -1.26 -4.78 120.51 114.31 1x4m n ALA 60 Ca 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 53.44 50.38 1x4m n ALA 60 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 19.45 15.96 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 6.31 -0.05 -0.13 0.00 1.47 -1.26 -4.60 116.67 118.40 1x4m s ASP 61 Ca 0.67 -0.21 -0.04 0.00 1.18 0.00 0.00 52.55 54.15 1x4m s ASP 61 Cb -0.00 0.21 0.05 0.00 -0.34 0.00 0.00 42.92 42.84 1x4m s ASP 61 CO 0.13 -0.41 0.07 -0.54 0.68 0.00 0.00 175.17 175.11 1x4m s LYS 62 N -2.41 0.13 -0.26 2.11 -0.14 0.21 -4.83 119.74 114.55 1x4m s LYS 62 Ca 0.17 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.51 1x4m s LYS 62 Cb 0.03 -1.46 -0.02 0.00 -1.68 0.00 0.00 37.83 34.69 1x4m s LYS 62 CO -0.02 -0.55 1.64 -1.25 -0.76 0.00 0.00 175.35 174.41 1x4m s PRO 63 N 2.10 3.68 -0.21 -1.68 0.04 -1.23 -0.89 135.00 136.82 1x4m s PRO 63 Ca 0.03 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1x4m s PRO 63 Cb -0.15 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 1x4m s PRO 63 CO -0.07 -1.44 0.45 -1.17 0.04 0.00 0.00 177.00 174.82 1x4m s LEU 64 N 5.59 4.14 -0.30 -3.56 2.96 0.14 -0.57 118.68 127.07 1x4m s LEU 64 Ca 0.73 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 1x4m s LEU 64 Cb -0.24 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1x4m s LEU 64 CO 0.30 -0.14 0.37 -0.60 -1.32 0.00 0.00 176.35 174.97 1x4m s ARG 65 N 1.54 3.82 -0.37 1.98 3.52 0.47 -1.26 118.95 128.65 1x4m s ARG 65 Ca 0.21 -0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1x4m s ARG 65 Cb -0.15 -3.72 0.07 0.00 -1.56 0.00 0.00 34.95 29.58 1x4m s ARG 65 CO 0.09 -0.39 0.16 0.42 -0.81 0.00 0.00 175.30 174.77 1x4m s ILE 66 N 2.06 3.77 0.14 4.11 1.01 0.56 -1.20 121.20 131.65 1x4m s ILE 66 Ca 0.14 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.42 1x4m s ILE 66 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1x4m s ILE 66 CO 0.11 -0.37 0.16 0.42 0.00 0.00 0.00 174.94 175.26 1x4m s THR 67 N 1.35 4.73 0.00 2.92 -4.23 -0.56 -0.20 115.64 119.65 1x4m s THR 67 Ca 0.01 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1x4m s THR 67 Cb -0.21 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1x4m s THR 67 CO 0.01 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1x4m n GLY 68 N -0.18 -0.34 3.77 3.99 0.00 0.40 -0.32 105.19 112.51 1x4m n GLY 68 Ca -0.08 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 5.39 0.32 1.61 1.01 -1.26 -1.55 116.67 118.19 1x4m s ASP 69 Ca 0.00 -0.17 0.11 0.00 0.71 0.00 0.00 52.55 53.20 1x4m s ASP 69 Cb 0.00 -1.37 0.52 0.00 1.01 0.00 0.00 42.92 43.08 1x4m s ASP 69 CO 0.00 0.07 1.71 1.55 0.21 0.00 0.00 175.17 178.72 1x4m h PRO 70 N 2.48 0.03 0.00 8.23 0.13 -1.91 0.54 132.00 141.50 1x4m h PRO 70 Ca -0.47 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1x4m h PRO 70 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4m h PRO 70 CO 0.62 0.52 -1.37 0.98 -0.23 0.00 0.00 178.00 178.52 1x4m n TYR 71 N -3.96 0.64 -0.10 1.56 4.19 -1.26 -4.16 117.16 114.07 1x4m n TYR 71 Ca -0.02 0.19 -0.18 0.00 3.31 0.00 0.00 57.90 61.21 1x4m n TYR 71 Cb 0.51 -0.81 -0.08 0.00 0.49 0.00 0.00 39.34 39.45 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 -2.55 0.54 -0.33 2.98 5.02 -1.15 -4.23 118.16 118.45 1x4m n LYS 72 Ca -0.02 0.45 0.26 0.00 -2.02 0.00 0.00 58.31 56.97 1x4m n LYS 72 Cb 0.57 -1.64 0.49 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.12 -0.80 -0.18 2.07 -0.14 1.22 116.25 117.54 1x4m h VAL 73 Ca -0.30 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1x4m h VAL 73 Cb 1.13 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1x4m h VAL 73 CO -0.18 0.02 0.53 0.06 0.02 0.00 0.00 177.57 178.02 1x4m h GLN 74 N 0.12 0.99 0.34 1.57 3.07 -1.75 -1.38 115.11 118.07 1x4m h GLN 74 Ca 0.76 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 59.42 1x4m h GLN 74 Cb 1.84 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 29.18 1x4m h GLN 74 CO -0.73 0.66 -0.16 1.96 0.09 0.00 0.00 178.83 180.64 1x4m h GLN 75 N 1.02 -0.44 -0.32 0.06 1.08 0.13 -3.26 115.11 113.39 1x4m h GLN 75 Ca 0.31 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 1x4m h GLN 75 Cb -0.02 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.44 1x4m h GLN 75 CO -0.08 -0.12 -0.15 0.00 -0.95 0.00 0.00 178.83 177.53 1x4m h ALA 76 N -0.30 0.11 -0.80 3.87 0.00 -1.24 0.74 119.26 121.63 1x4m h ALA 76 Ca -0.05 0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.21 1x4m h ALA 76 Cb 0.52 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1x4m h ALA 76 CO 0.08 -0.53 1.01 -0.22 0.00 0.00 0.00 179.25 179.59 1x4m h LYS 77 N -0.10 0.00 0.17 0.00 3.64 -1.29 1.04 116.57 120.02 1x4m h LYS 77 Ca 0.16 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.21 1x4m h LYS 77 Cb 0.34 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1x4m h LYS 77 CO -0.38 0.00 -1.66 0.93 -2.27 0.00 0.00 179.45 176.07 1x4m h GLU 78 N 0.00 0.36 -0.55 1.90 4.39 -0.91 -2.82 114.58 116.95 1x4m h GLU 78 Ca 0.38 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1x4m h GLU 78 Cb 2.40 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 31.25 1x4m h GLU 78 CO -0.00 1.29 0.30 0.52 -1.16 0.00 0.00 179.01 179.96 1x4m h MET 79 N -0.00 0.76 0.10 2.33 2.86 0.13 -0.07 114.93 121.03 1x4m h MET 79 Ca -0.33 -0.08 -0.22 0.00 -2.06 0.00 0.00 59.70 57.01 1x4m h MET 79 Cb 2.01 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 33.54 1x4m h MET 79 CO 0.15 0.56 -0.92 0.28 1.06 0.00 0.00 176.91 178.04 1x4m h VAL 80 N 0.77 1.40 -0.24 -2.22 2.07 -1.39 -2.85 116.25 113.80 1x4m h VAL 80 Ca 0.20 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.33 1x4m h VAL 80 Cb 0.02 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1x4m h VAL 80 CO -0.03 0.70 0.14 -0.07 0.02 0.00 0.00 177.57 178.33 1x4m h LEU 81 N -0.06 0.28 -1.80 2.57 3.38 -1.24 -1.91 115.31 116.54 1x4m h LEU 81 Ca -0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1x4m h LEU 81 Cb 1.66 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1x4m h LEU 81 CO 0.18 0.26 -0.07 -0.08 0.09 0.00 0.00 178.44 178.81 1x4m h GLU 82 N 0.29 0.00 0.00 1.13 4.81 -1.13 -1.76 114.58 117.92 1x4m h GLU 82 Ca 0.08 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1x4m h GLU 82 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1x4m h GLU 82 CO -0.02 0.07 -0.41 1.25 -0.73 0.00 0.00 179.01 179.18 1x4m h LEU 83 N 0.00 0.00 0.00 1.64 7.12 -1.10 -3.04 115.31 119.93 1x4m h LEU 83 Ca -0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1x4m h LEU 83 Cb 0.41 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1x4m h LEU 83 CO 0.01 0.41 -1.71 2.30 -0.13 0.00 0.00 178.44 179.31 1x4m n ILE 84 N -3.73 0.49 -2.37 4.05 -5.35 -0.86 -4.85 119.36 106.75 1x4m n ILE 84 Ca -0.01 -0.58 -0.40 0.00 -0.27 0.00 0.00 62.75 61.48 1x4m n ILE 84 Cb 0.49 -0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 38.10 1x4m n ILE 84 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1x4m s ARG 85 N -3.27 4.56 -0.37 6.28 0.52 -0.72 -4.88 118.95 121.07 1x4m s ARG 85 Ca -0.06 1.92 -0.41 0.00 -0.52 0.00 0.00 55.73 56.67 1x4m s ARG 85 Cb 0.11 -3.16 -0.18 0.00 0.52 0.00 0.00 34.95 32.25 1x4m s ARG 85 CO 0.86 0.10 1.35 -3.47 0.02 0.00 0.00 175.30 174.15 1x4m n ASP 86 N 1.09 0.89 -0.14 0.23 2.03 -1.26 -4.82 116.55 114.57 1x4m n ASP 86 Ca -0.01 1.06 -0.08 0.00 0.52 0.00 0.00 54.79 56.28 1x4m n ASP 86 Cb 0.44 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1x4m n ASP 86 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1x4m h GLN 87 N 4.16 0.58 -0.54 -0.67 5.75 -1.89 -3.06 115.11 119.43 1x4m h GLN 87 Ca -0.41 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.13 1x4m h GLN 87 Cb 1.24 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.56 1x4m h GLN 87 CO 0.82 0.43 -0.40 0.78 -2.65 0.00 0.00 178.83 177.81 1x4m h GLY 88 N 0.56 -0.37 -7.08 2.39 0.00 -2.01 -3.38 103.07 93.18 1x4m h GLY 88 Ca 0.15 0.52 -0.62 0.00 0.00 0.00 0.00 47.33 47.38 1x4m h GLY 88 CO -0.03 -0.18 1.51 1.44 0.00 0.00 0.00 176.54 179.28 1x4m n SER 89 N -5.42 1.55 0.00 0.19 7.64 -1.16 -4.89 113.62 111.53 1x4m n SER 89 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1x4m n SER 89 Cb 0.35 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 6.62 5.25 3.65 0.23 0.00 -1.26 -4.97 105.19 114.71 1x4m n GLY 90 Ca 0.48 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 1.94 4.09 -0.37 1.61 0.04 -1.26 -4.92 135.00 136.12 1x4m s PRO 91 Ca 0.00 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 1x4m s PRO 91 Cb 0.00 -3.95 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1x4m s PRO 91 CO 0.00 -0.94 2.19 -1.54 0.04 0.00 0.00 177.00 176.75 1x4m s SER 92 N 3.25 5.13 0.10 6.66 1.04 -1.26 -4.90 113.70 123.72 1x4m s SER 92 Ca 0.68 1.36 -0.21 0.00 0.48 0.00 0.00 55.95 58.26 1x4m s SER 92 Cb -0.28 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.38 1x4m s SER 92 CO 0.26 -2.30 0.53 -0.94 0.98 0.00 0.00 173.24 171.77 1x4m s SER 93 N 9.35 -0.44 0.00 7.02 1.04 -1.26 -5.35 113.70 124.06 1x4m s SER 93 Ca 0.93 0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1x4m s SER 93 Cb -0.24 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1x4m s SER 93 CO 0.30 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.30