#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9c s ILE 2 N 0.00 4.81 0.07 0.52 1.01 -0.67 -0.18 121.20 126.76 1m9c s ILE 2 Ca 0.00 1.50 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 1m9c s ILE 2 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1m9c s ILE 2 CO 0.00 0.37 0.06 0.68 0.00 0.00 0.00 174.94 176.05 1m9c s VAL 3 N -0.03 0.18 -0.25 2.92 -7.23 -0.53 -4.80 120.40 110.66 1m9c s VAL 3 Ca 0.36 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 1m9c s VAL 3 Cb -0.20 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.22 1m9c s VAL 3 CO 0.21 -0.81 1.26 -1.58 -0.31 0.00 0.00 175.10 173.86 1m9c s GLN 4 N -3.91 4.06 0.52 4.82 0.74 -1.26 -1.53 119.66 123.09 1m9c s GLN 4 Ca 0.08 1.39 -0.06 0.00 0.05 0.00 0.00 55.36 56.83 1m9c s GLN 4 Cb 0.07 -3.81 0.11 0.00 1.10 0.00 0.00 33.01 30.48 1m9c s GLN 4 CO -0.09 -0.93 0.71 0.27 -0.55 0.00 0.00 175.29 174.70 1m9c n ASN 5 N 7.13 0.35 -0.03 6.67 0.23 -0.49 -4.97 115.26 124.15 1m9c n ASN 5 Ca 0.14 -1.43 -0.12 0.00 -0.53 0.00 0.00 54.58 52.64 1m9c n ASN 5 Cb 0.46 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.58 1m9c n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1m9c h LEU 6 N 0.00 0.17 0.00 -4.53 -0.00 -1.97 -2.94 115.31 106.05 1m9c h LEU 6 Ca -0.23 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1m9c h LEU 6 Cb 0.70 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1m9c h LEU 6 CO 0.19 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 179.00 1m9c n GLN 7 N -4.86 0.23 0.00 1.13 3.00 -1.26 -4.81 117.38 110.82 1m9c n GLN 7 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1m9c n GLN 7 Cb 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.38 1m9c n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m9c n GLY 8 N -0.28 2.59 3.77 1.08 0.00 -1.11 -5.03 105.19 106.22 1m9c n GLY 8 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1m9c n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m9c s GLN 9 N -0.24 4.62 -0.24 1.61 0.74 -1.26 -4.72 119.66 120.15 1m9c s GLN 9 Ca 0.00 1.39 -0.27 0.00 0.05 0.00 0.00 55.36 56.53 1m9c s GLN 9 Cb 0.00 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.22 1m9c s GLN 9 CO 0.00 0.30 0.93 -1.64 -0.55 0.00 0.00 175.29 174.33 1m9c s MET 10 N -1.89 4.20 0.34 1.67 -1.94 -1.26 -1.40 119.30 119.03 1m9c s MET 10 Ca 0.49 1.11 0.09 0.00 -1.71 0.00 0.00 55.69 55.67 1m9c s MET 10 Cb -0.21 -3.65 -0.06 0.00 2.01 0.00 0.00 34.83 32.92 1m9c s MET 10 CO 0.26 -0.59 -0.06 0.14 -0.01 0.00 0.00 175.02 174.77 1m9c s VAL 11 N 3.03 2.36 0.33 -6.03 -7.23 -0.58 -4.90 120.40 107.38 1m9c s VAL 11 Ca 0.39 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 58.25 1m9c s VAL 11 Cb -0.15 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1m9c s VAL 11 CO 0.07 -0.20 0.80 -2.28 -0.31 0.00 0.00 175.10 173.19 1m9c s HIS 12 N -2.58 3.44 0.00 2.82 5.04 -1.26 -1.45 115.29 121.30 1m9c s HIS 12 Ca 0.33 1.40 -0.01 0.00 -1.54 0.00 0.00 55.06 55.24 1m9c s HIS 12 Cb 0.02 -2.66 -0.01 0.00 0.04 0.00 0.00 32.58 29.97 1m9c s HIS 12 CO 0.17 0.10 0.02 -1.14 -2.34 0.00 0.00 174.74 171.55 1m9c s GLN 13 N -2.75 0.20 0.49 2.88 0.74 0.74 -4.91 119.66 117.04 1m9c s GLN 13 Ca 0.54 -0.27 -0.23 0.00 0.05 0.00 0.00 55.36 55.45 1m9c s GLN 13 Cb -0.12 0.08 -0.06 0.00 1.10 0.00 0.00 33.01 34.00 1m9c s GLN 13 CO 0.18 -0.03 1.29 0.00 -0.55 0.00 0.00 175.29 176.17 1m9c s ALA 14 N -0.73 2.97 0.47 1.58 0.00 -1.26 0.86 121.76 125.65 1m9c s ALA 14 Ca -0.08 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 1m9c s ALA 14 Cb -0.05 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1m9c s ALA 14 CO -0.00 -1.05 1.42 -1.50 0.00 0.00 0.00 175.76 174.63 1m9c s ILE 15 N -1.37 2.03 0.12 0.00 2.07 -1.26 -4.40 121.20 118.40 1m9c s ILE 15 Ca 0.66 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.63 1m9c s ILE 15 Cb -0.37 -3.02 -0.07 0.00 0.13 0.00 0.00 42.46 39.14 1m9c s ILE 15 CO 0.44 0.00 1.15 -0.55 -1.91 0.00 0.00 174.94 174.08 1m9c s SER 16 N -0.57 7.16 0.52 4.50 0.15 -1.26 -4.90 113.70 119.31 1m9c s SER 16 Ca 0.63 2.06 0.30 0.00 0.70 0.00 0.00 55.95 59.64 1m9c s SER 16 Cb -0.44 -2.59 1.33 0.00 -1.71 0.00 0.00 66.02 62.61 1m9c s SER 16 CO 0.55 -0.35 1.99 1.55 1.20 0.00 0.00 173.24 178.18 1m9c h PRO 17 N 5.90 0.00 -0.76 5.44 0.13 -1.99 -2.05 132.00 138.68 1m9c h PRO 17 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1m9c h PRO 17 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1m9c h PRO 17 CO 0.76 0.11 0.29 0.00 -0.23 0.00 0.00 178.00 178.93 1m9c h ARG 18 N 0.00 1.14 -0.11 0.86 3.08 -1.98 0.21 114.38 117.57 1m9c h ARG 18 Ca -0.00 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1m9c h ARG 18 Cb 0.50 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1m9c h ARG 18 CO 0.01 0.93 -0.07 1.15 -1.07 0.00 0.00 179.97 180.92 1m9c h THR 19 N 1.10 1.33 -0.32 2.04 2.02 -1.84 -1.25 112.91 115.98 1m9c h THR 19 Ca 0.25 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.32 1m9c h THR 19 Cb 0.23 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1m9c h THR 19 CO -0.02 0.33 0.09 -0.07 0.37 0.00 0.00 175.52 176.22 1m9c h LEU 20 N -0.12 0.07 -1.78 2.58 3.38 -1.21 0.27 115.31 118.50 1m9c h LEU 20 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1m9c h LEU 20 Cb 0.56 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1m9c h LEU 20 CO 0.02 0.07 0.11 0.78 0.09 0.00 0.00 178.44 179.52 1m9c h ASN 21 N 0.22 0.22 -0.21 -0.43 2.35 -0.60 0.37 115.58 117.51 1m9c h ASN 21 Ca 0.15 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1m9c h ASN 21 Cb 0.14 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1m9c h ASN 21 CO -0.17 0.18 -0.14 0.00 -1.65 0.00 0.00 177.43 175.64 1m9c h ALA 22 N 1.86 0.29 -0.83 -0.83 0.00 0.28 -1.08 119.26 118.96 1m9c h ALA 22 Ca 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1m9c h ALA 22 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1m9c h ALA 22 CO -0.01 0.17 0.54 2.35 0.00 0.00 0.00 179.25 182.30 1m9c h TRP 23 N 0.14 1.02 -0.53 0.00 -0.00 0.23 -2.14 115.95 114.68 1m9c h TRP 23 Ca 0.04 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.99 1m9c h TRP 23 Cb 0.65 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 29.44 1m9c h TRP 23 CO 0.07 0.61 0.31 0.28 -0.00 0.00 0.00 178.44 179.71 1m9c h VAL 24 N 1.07 1.04 -0.86 2.65 2.07 0.03 -2.70 116.25 119.55 1m9c h VAL 24 Ca 0.32 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1m9c h VAL 24 Cb -0.05 0.37 -0.14 0.00 -1.52 0.00 0.00 31.29 29.95 1m9c h VAL 24 CO -0.10 0.11 -0.38 0.11 0.02 0.00 0.00 177.57 177.33 1m9c h LYS 25 N 0.61 -0.06 -0.05 1.57 1.57 -0.82 0.92 116.57 120.32 1m9c h LYS 25 Ca 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1m9c h LYS 25 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1m9c h LYS 25 CO -0.11 -0.04 0.02 0.28 -0.57 0.00 0.00 179.45 179.03 1m9c h VAL 26 N -0.06 1.17 -0.54 0.50 2.07 -1.08 -1.57 116.25 116.74 1m9c h VAL 26 Ca 0.30 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1m9c h VAL 26 Cb 0.58 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1m9c h VAL 26 CO -0.89 0.14 0.25 0.58 0.02 0.00 0.00 177.57 177.67 1m9c h VAL 27 N -0.11 1.18 0.00 2.57 2.07 -1.31 -0.25 116.25 120.40 1m9c h VAL 27 Ca 0.02 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1m9c h VAL 27 Cb 0.21 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1m9c h VAL 27 CO -0.00 0.22 -0.25 -0.33 0.02 0.00 0.00 177.57 177.22 1m9c h GLU 28 N 0.75 0.00 0.00 1.57 5.08 0.04 -0.93 114.58 121.09 1m9c h GLU 28 Ca 0.19 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.16 1m9c h GLU 28 Cb 0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1m9c h GLU 28 CO -0.02 0.25 -2.30 0.39 -1.00 0.00 0.00 179.01 176.33 1m9c n GLU 29 N -3.42 0.49 0.00 2.33 1.02 -0.67 -4.56 120.64 115.82 1m9c n GLU 29 Ca 0.00 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1m9c n GLU 29 Cb 0.44 -1.33 0.24 0.00 -0.02 0.00 0.00 31.44 30.77 1m9c n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m9c n LYS 30 N -4.02 0.49 0.00 3.49 4.76 -0.13 -5.00 118.16 117.76 1m9c n LYS 30 Ca -0.46 -0.32 0.00 0.00 -2.87 0.00 0.00 58.31 54.66 1m9c n LYS 30 Cb 0.83 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1m9c n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m9c n ALA 31 N -0.97 0.00 -3.36 7.82 0.00 -0.35 -2.22 120.51 121.43 1m9c n ALA 31 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 1m9c n ALA 31 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1m9c n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9c n PHE 32 N 13.97 3.02 -3.24 0.00 3.72 -1.26 -4.30 117.46 129.37 1m9c n PHE 32 Ca 0.00 -4.05 -0.26 0.00 -0.05 0.00 0.00 57.45 53.08 1m9c n PHE 32 Cb 0.00 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.00 1m9c n PHE 32 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1m9c s SER 33 N -2.33 6.34 0.49 4.37 0.01 -0.94 -4.39 113.70 117.25 1m9c s SER 33 Ca 0.40 0.62 0.38 0.00 1.31 0.00 0.00 55.95 58.66 1m9c s SER 33 Cb 0.16 -2.11 1.56 0.00 0.21 0.00 0.00 66.02 65.84 1m9c s SER 33 CO -0.03 -0.30 1.62 -0.65 0.41 0.00 0.00 173.24 174.28 1m9c h PRO 34 N 1.01 0.04 0.00 12.44 0.11 -1.89 0.34 132.00 144.05 1m9c h PRO 34 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1m9c h PRO 34 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1m9c h PRO 34 CO 0.63 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1m9c n GLU 35 N -4.39 0.13 0.22 1.05 1.02 -1.26 -2.77 120.64 114.65 1m9c n GLU 35 Ca 0.39 0.32 0.08 0.00 -0.02 0.00 0.00 57.16 57.94 1m9c n GLU 35 Cb 1.64 -1.73 0.51 0.00 -0.02 0.00 0.00 31.44 31.84 1m9c n GLU 35 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1m9c h VAL 36 N 0.00 0.79 0.46 2.62 3.04 -0.64 -3.16 116.25 119.36 1m9c h VAL 36 Ca 0.00 -1.03 -0.02 0.00 -1.01 0.00 0.00 66.70 64.64 1m9c h VAL 36 Cb 0.38 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1m9c h VAL 36 CO 0.00 0.25 -0.22 0.40 -1.01 0.00 0.00 177.57 176.99 1m9c h ILE 37 N 0.00 0.43 0.00 3.17 2.04 -1.69 -1.38 117.51 120.08 1m9c h ILE 37 Ca -0.00 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 1m9c h ILE 37 Cb 0.61 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1m9c h ILE 37 CO 0.03 0.07 -0.35 -0.65 0.00 0.00 0.00 178.15 177.25 1m9c h PRO 38 N -0.93 0.00 0.17 2.37 0.11 -1.76 -2.53 132.00 129.43 1m9c h PRO 38 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1m9c h PRO 38 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1m9c h PRO 38 CO 0.10 0.35 -0.08 1.98 -0.21 0.00 0.00 178.00 180.14 1m9c h MET 39 N 0.00 -0.21 -1.00 1.05 4.05 -1.55 0.46 114.93 117.72 1m9c h MET 39 Ca -0.00 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1m9c h MET 39 Cb 0.67 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.45 1m9c h MET 39 CO 0.05 -0.06 0.64 0.35 0.23 0.00 0.00 176.91 178.11 1m9c h PHE 40 N -0.32 1.15 -0.44 1.39 3.57 -0.85 0.17 116.94 121.61 1m9c h PHE 40 Ca -0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1m9c h PHE 40 Cb 0.25 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1m9c h PHE 40 CO -0.04 0.50 0.02 1.03 -2.23 0.00 0.00 178.31 177.59 1m9c h SER 41 N 1.04 0.76 -0.47 0.41 0.87 -1.38 -2.56 113.55 112.22 1m9c h SER 41 Ca 0.48 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 1m9c h SER 41 Cb 0.39 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1m9c h SER 41 CO -0.23 0.87 -0.18 0.00 -0.53 0.00 0.00 176.83 176.76 1m9c h ALA 42 N 0.91 0.65 0.00 6.23 0.00 -0.15 -2.60 119.26 124.31 1m9c h ALA 42 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1m9c h ALA 42 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1m9c h ALA 42 CO 0.02 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1m9c n LEU 43 N -4.17 0.25 -0.64 0.00 4.77 0.53 -3.67 117.00 114.08 1m9c n LEU 43 Ca -0.00 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 1m9c n LEU 43 Cb 0.43 -0.52 0.20 0.00 -2.33 0.00 0.00 43.42 41.20 1m9c n LEU 43 CO 0.46 -0.35 0.35 -1.54 -1.33 0.00 0.00 177.39 174.98 1m9c n SER 44 N -1.77 1.71 -4.71 -1.43 3.41 -0.97 -5.00 113.62 104.85 1m9c n SER 44 Ca 0.03 -3.85 -0.42 0.00 -0.26 0.00 0.00 58.87 54.37 1m9c n SER 44 Cb 0.20 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1m9c n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9c s GLU 45 N -3.15 4.19 -0.14 4.33 2.02 -1.21 -1.36 118.70 123.39 1m9c s GLU 45 Ca 0.38 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.77 1m9c s GLU 45 Cb 0.37 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1m9c s GLU 45 CO -0.07 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1m9c n GLY 46 N 3.89 0.46 3.77 -1.39 0.00 -1.26 -4.85 105.19 105.81 1m9c n GLY 46 Ca 0.15 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1m9c n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9c s ALA 47 N -1.83 2.87 0.79 4.61 0.00 -0.47 -1.67 121.76 126.06 1m9c s ALA 47 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1m9c s ALA 47 Cb 0.00 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.79 1m9c s ALA 47 CO 0.00 -0.84 1.14 0.95 0.00 0.00 0.00 175.76 177.01 1m9c s THR 48 N -1.54 2.09 0.22 0.00 -4.23 -1.26 -4.38 115.64 106.54 1m9c s THR 48 Ca 0.68 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1m9c s THR 48 Cb -0.30 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.71 1m9c s THR 48 CO 0.36 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.58 1m9c h PRO 49 N -0.96 0.62 -0.50 3.99 0.11 -1.86 0.54 132.00 133.93 1m9c h PRO 49 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1m9c h PRO 49 Cb 1.31 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1m9c h PRO 49 CO 0.61 0.41 0.28 0.37 -0.21 0.00 0.00 178.00 179.46 1m9c h GLN 50 N 0.63 0.54 -0.90 1.05 4.15 -1.91 -1.16 115.11 117.51 1m9c h GLN 50 Ca 0.33 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.75 1m9c h GLN 50 Cb 0.29 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1m9c h GLN 50 CO -0.23 0.36 0.58 -0.44 -1.93 0.00 0.00 178.83 177.17 1m9c h ASP 51 N 0.56 0.96 -0.71 -0.69 3.32 -1.61 -0.38 116.42 117.86 1m9c h ASP 51 Ca 0.21 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1m9c h ASP 51 Cb 0.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1m9c h ASP 51 CO -0.12 0.65 0.30 -0.07 -1.72 0.00 0.00 179.24 178.29 1m9c h LEU 52 N 1.12 0.97 -0.42 1.55 3.38 -0.59 -2.26 115.31 119.06 1m9c h LEU 52 Ca 0.36 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1m9c h LEU 52 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1m9c h LEU 52 CO -0.13 0.86 0.03 0.78 0.09 0.00 0.00 178.44 180.07 1m9c h ASN 53 N 1.01 0.71 -0.74 -0.43 2.35 -0.83 -1.62 115.58 116.03 1m9c h ASN 53 Ca 0.24 -0.29 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1m9c h ASN 53 Cb 0.18 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1m9c h ASN 53 CO -0.02 0.83 0.49 0.74 -1.65 0.00 0.00 177.43 177.81 1m9c h THR 54 N 0.57 0.96 -0.10 2.81 2.02 -0.85 0.88 112.91 119.20 1m9c h THR 54 Ca 0.12 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1m9c h THR 54 Cb 0.45 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1m9c h THR 54 CO 0.02 0.12 -0.32 0.24 0.37 0.00 0.00 175.52 175.95 1m9c h MET 55 N 0.68 0.39 -0.17 6.66 2.86 -1.02 -3.02 114.93 121.31 1m9c h MET 55 Ca 0.33 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1m9c h MET 55 Cb 0.41 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1m9c h MET 55 CO -0.12 0.91 -0.24 -0.07 1.06 0.00 0.00 176.91 178.45 1m9c h LEU 56 N -0.06 0.30 0.00 1.22 3.38 -0.80 -2.87 115.31 116.48 1m9c h LEU 56 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1m9c h LEU 56 Cb 0.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1m9c h LEU 56 CO 0.07 0.55 0.00 0.59 0.09 0.00 0.00 178.44 179.74 1m9c n ASN 57 N -4.16 0.00 -0.17 -0.43 3.02 0.30 -2.76 115.26 111.07 1m9c n ASN 57 Ca -0.01 0.41 0.13 0.00 -0.03 0.00 0.00 54.58 55.09 1m9c n ASN 57 Cb 0.37 -0.46 0.36 0.00 -0.61 0.00 0.00 39.78 39.43 1m9c n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1m9c n THR 58 N -1.46 0.00 -2.09 3.41 -2.24 -1.08 -4.84 114.28 105.97 1m9c n THR 58 Ca 0.06 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1m9c n THR 58 Cb 0.23 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1m9c n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m9c s VAL 59 N -2.64 3.69 0.30 2.28 1.01 -1.11 -4.95 120.40 118.98 1m9c s VAL 59 Ca 0.21 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 62.97 1m9c s VAL 59 Cb 0.19 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1m9c s VAL 59 CO 0.57 -0.07 0.61 -0.83 0.00 0.00 0.00 175.10 175.38 1m9c s GLY 60 N 3.00 2.06 0.00 4.51 0.00 -1.26 -4.95 107.32 110.67 1m9c s GLY 60 Ca 0.70 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1m9c s GLY 60 CO 0.27 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1m9c n GLY 61 N -0.70 -1.24 4.05 0.20 0.00 -1.26 -4.92 105.19 101.32 1m9c n GLY 61 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1m9c n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9c n HIS 62 N -0.31 -1.53 0.05 1.61 -0.00 -1.26 -4.87 115.22 108.91 1m9c n HIS 62 Ca 0.00 0.61 -0.03 0.00 -0.00 0.00 0.00 57.72 58.30 1m9c n HIS 62 Cb 0.00 -3.35 0.21 0.00 -0.00 0.00 0.00 29.99 26.86 1m9c n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9c h GLN 63 N -1.91 0.39 -0.08 -0.41 7.50 -1.97 -1.37 115.11 117.26 1m9c h GLN 63 Ca -0.65 -0.16 -0.23 0.00 0.50 0.00 0.00 58.65 58.11 1m9c h GLN 63 Cb 1.38 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.91 1m9c h GLN 63 CO 0.62 0.66 -0.86 0.00 -1.50 0.00 0.00 178.83 177.76 1m9c h ALA 64 N 1.34 0.34 -0.20 3.87 0.00 -1.99 -2.27 119.26 120.34 1m9c h ALA 64 Ca 0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1m9c h ALA 64 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1m9c h ALA 64 CO 0.05 0.72 -0.12 0.00 0.00 0.00 0.00 179.25 179.91 1m9c h ALA 65 N 0.63 0.28 -0.75 0.00 0.00 -1.91 -1.32 119.26 116.20 1m9c h ALA 65 Ca -0.07 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1m9c h ALA 65 Cb 1.48 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1m9c h ALA 65 CO 0.16 0.13 0.49 0.52 0.00 0.00 0.00 179.25 180.56 1m9c h MET 66 N 0.11 0.60 -0.11 0.00 2.07 -1.23 -0.25 114.93 116.12 1m9c h MET 66 Ca 0.04 -0.04 -0.20 0.00 -2.07 0.00 0.00 59.70 57.44 1m9c h MET 66 Cb 0.62 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1m9c h MET 66 CO 0.03 0.40 -0.74 0.37 1.07 0.00 0.00 176.91 178.04 1m9c h GLN 67 N 0.62 0.57 -0.43 1.72 5.75 -1.19 0.89 115.11 123.04 1m9c h GLN 67 Ca 0.35 -0.46 -0.09 0.00 -0.15 0.00 0.00 58.65 58.30 1m9c h GLN 67 Cb 0.52 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1m9c h GLN 67 CO -0.12 1.08 -0.09 1.98 -2.65 0.00 0.00 178.83 179.03 1m9c h MET 68 N 0.39 0.76 -0.10 1.69 4.05 -0.62 -1.34 114.93 119.76 1m9c h MET 68 Ca -0.04 -0.24 -0.03 0.00 -0.28 0.00 0.00 59.70 59.12 1m9c h MET 68 Cb 1.33 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1m9c h MET 68 CO 0.14 0.83 -0.03 1.25 0.23 0.00 0.00 176.91 179.32 1m9c h LEU 69 N 0.69 0.21 -0.81 3.39 5.85 -0.84 -2.25 115.31 121.55 1m9c h LEU 69 Ca 0.12 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.57 1m9c h LEU 69 Cb 0.56 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1m9c h LEU 69 CO 0.03 0.55 0.42 0.50 -0.34 0.00 0.00 178.44 179.60 1m9c h LYS 70 N -0.13 0.63 -0.36 1.25 3.64 -0.56 -1.95 116.57 119.09 1m9c h LYS 70 Ca 0.02 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1m9c h LYS 70 Cb 0.46 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1m9c h LYS 70 CO 0.01 0.42 -0.13 1.49 -2.27 0.00 0.00 179.45 178.97 1m9c h GLU 71 N 0.65 0.63 -0.33 1.90 4.57 -1.00 0.12 114.58 121.12 1m9c h GLU 71 Ca 0.42 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1m9c h GLU 71 Cb 0.51 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1m9c h GLU 71 CO -0.31 0.74 -0.08 1.15 -1.18 0.00 0.00 179.01 179.32 1m9c h THR 72 N 0.57 1.28 -0.16 0.32 2.02 -1.15 0.28 112.91 116.07 1m9c h THR 72 Ca 0.10 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.19 1m9c h THR 72 Cb 0.55 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1m9c h THR 72 CO 0.03 0.37 -0.11 0.40 0.37 0.00 0.00 175.52 176.58 1m9c h ILE 73 N 0.42 0.67 -0.03 3.11 2.04 -1.16 0.10 117.51 122.65 1m9c h ILE 73 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1m9c h ILE 73 Cb 0.58 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1m9c h ILE 73 CO 0.03 0.00 -0.21 0.78 0.00 0.00 0.00 178.15 178.75 1m9c h ASN 74 N -0.12 0.05 -0.18 1.72 -0.26 -0.38 0.13 115.58 116.55 1m9c h ASN 74 Ca 0.10 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 1m9c h ASN 74 Cb 0.26 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1m9c h ASN 74 CO -0.24 0.27 -0.35 -0.33 -1.06 0.00 0.00 177.43 175.72 1m9c h GLU 75 N 0.05 0.69 -0.29 0.81 5.08 -0.55 -1.44 114.58 118.94 1m9c h GLU 75 Ca 0.01 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1m9c h GLU 75 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1m9c h GLU 75 CO 0.03 0.94 -0.35 0.93 -1.00 0.00 0.00 179.01 179.56 1m9c h GLU 76 N 0.58 0.64 -0.51 2.33 4.39 0.08 -1.12 114.58 120.97 1m9c h GLU 76 Ca 0.06 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1m9c h GLU 76 Cb 0.87 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1m9c h GLU 76 CO 0.08 0.90 0.26 0.00 -1.16 0.00 0.00 179.01 179.09 1m9c h ALA 77 N 1.07 0.66 -0.31 3.43 0.00 -0.58 -1.04 119.26 122.48 1m9c h ALA 77 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1m9c h ALA 77 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1m9c h ALA 77 CO 0.07 0.20 -0.28 0.00 0.00 0.00 0.00 179.25 179.25 1m9c h ALA 78 N 1.10 0.93 -0.72 0.00 0.00 -1.01 -1.98 119.26 117.57 1m9c h ALA 78 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1m9c h ALA 78 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1m9c h ALA 78 CO -0.02 0.62 0.22 0.93 0.00 0.00 0.00 179.25 180.99 1m9c h GLU 79 N 0.55 1.13 -0.04 0.00 4.39 -1.05 -1.43 114.58 118.13 1m9c h GLU 79 Ca 0.07 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1m9c h GLU 79 Cb 0.76 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1m9c h GLU 79 CO 0.06 0.97 -0.16 2.35 -1.16 0.00 0.00 179.01 181.07 1m9c h TRP 80 N 1.07 -0.42 -1.01 4.33 2.91 -0.92 -0.30 115.95 121.62 1m9c h TRP 80 Ca 0.23 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.37 1m9c h TRP 80 Cb 0.32 0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 29.08 1m9c h TRP 80 CO 0.03 -0.24 0.64 -0.44 -1.03 0.00 0.00 178.44 177.40 1m9c h ASP 81 N -0.25 0.98 -0.20 2.65 5.19 -0.98 -0.33 116.42 123.49 1m9c h ASP 81 Ca 0.07 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1m9c h ASP 81 Cb 0.34 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1m9c h ASP 81 CO -0.19 0.57 0.12 -0.09 -3.12 0.00 0.00 179.24 176.53 1m9c h ARG 82 N 1.08 0.27 -0.00 3.56 2.43 -0.47 -3.11 114.38 118.14 1m9c h ARG 82 Ca 0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1m9c h ARG 82 Cb 0.35 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1m9c h ARG 82 CO -0.22 0.23 -0.02 1.28 -1.51 0.00 0.00 179.97 179.73 1m9c n LEU 83 N -4.91 0.05 -3.77 3.80 4.77 -0.20 -4.45 117.00 112.29 1m9c n LEU 83 Ca -0.04 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 1m9c n LEU 83 Cb 0.06 -0.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.70 1m9c n LEU 83 CO 0.34 0.01 -0.11 -1.00 -1.33 0.00 0.00 177.39 175.30 1m9c s HIS 84 N -2.68 2.93 0.56 -1.77 3.76 -0.17 -5.07 115.29 112.84 1m9c s HIS 84 Ca 0.24 -3.08 -0.21 0.00 -0.15 0.00 0.00 55.06 51.87 1m9c s HIS 84 Cb 0.20 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1m9c s HIS 84 CO 0.49 -0.62 1.34 -1.25 -0.85 0.00 0.00 174.74 173.85 1m9c s PRO 85 N -1.06 3.03 0.26 8.40 0.04 -1.26 -4.81 135.00 139.60 1m9c s PRO 85 Ca 0.27 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 1m9c s PRO 85 Cb -0.02 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1m9c s PRO 85 CO -0.17 -1.26 1.17 0.08 0.04 0.00 0.00 177.00 176.85 1m9c s VAL 86 N -1.33 3.37 -0.23 -0.36 1.01 -1.26 -5.00 120.40 116.61 1m9c s VAL 86 Ca 0.74 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.96 1m9c s VAL 86 Cb -0.40 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1m9c s VAL 86 CO 0.46 0.28 0.03 -1.00 0.00 0.00 0.00 175.10 174.88 1m9c s HIS 87 N -0.83 3.06 0.90 5.22 3.76 -1.26 -5.12 115.29 121.01 1m9c s HIS 87 Ca 0.48 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 1m9c s HIS 87 Cb -0.34 -2.17 0.13 0.00 1.11 0.00 0.00 32.58 31.32 1m9c s HIS 87 CO 0.42 -0.31 1.17 0.00 -0.85 0.00 0.00 174.74 175.17 1m9c s ALA 88 N 1.33 2.08 0.00 -1.40 0.00 -1.26 -5.00 121.76 117.52 1m9c s ALA 88 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1m9c s ALA 88 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1m9c s ALA 88 CO 0.02 -2.16 0.00 0.41 0.00 0.00 0.00 175.76 174.04 1m9c n GLY 89 N -2.74 2.62 3.78 0.00 0.00 -1.26 -5.08 105.19 102.51 1m9c n GLY 89 Ca 0.08 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1m9c n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m9c s PRO 90 N -2.44 3.45 -0.19 1.61 0.04 -1.26 -5.00 135.00 131.21 1m9c s PRO 90 Ca 0.00 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1m9c s PRO 90 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1m9c s PRO 90 CO 0.00 -0.77 0.41 0.42 0.04 0.00 0.00 177.00 177.10 1m9c s ILE 91 N -1.76 5.20 0.67 0.56 1.01 -1.26 -5.06 121.20 120.55 1m9c s ILE 91 Ca 0.71 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.98 1m9c s ILE 91 Cb -0.24 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1m9c s ILE 91 CO 0.27 0.26 1.05 0.00 0.00 0.00 0.00 174.94 176.53 1m9c s ALA 92 N 1.22 2.80 0.29 9.38 0.00 -1.26 -4.97 121.76 129.22 1m9c s ALA 92 Ca 0.20 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1m9c s ALA 92 Cb -0.15 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1m9c s ALA 92 CO 0.08 -1.04 1.29 -2.14 0.00 0.00 0.00 175.76 173.95 1m9c s PRO 93 N -5.00 4.39 0.00 0.00 0.02 -1.26 -1.51 135.00 131.65 1m9c s PRO 93 Ca 0.58 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1m9c s PRO 93 Cb -0.13 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1m9c s PRO 93 CO 0.53 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.44 1m9c n GLY 94 N 1.28 1.07 3.74 0.52 0.00 -1.26 -5.01 105.19 105.53 1m9c n GLY 94 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1m9c n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9c s GLN 95 N -0.59 2.19 0.05 1.61 -0.21 -0.57 -5.05 119.66 117.09 1m9c s GLN 95 Ca 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 55.36 53.37 1m9c s GLN 95 Cb 0.00 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 1m9c s GLN 95 CO 0.00 -0.19 0.06 -1.64 -2.12 0.00 0.00 175.29 171.41 1m9c s MET 96 N -3.91 0.61 0.45 2.91 -1.94 -1.26 -4.77 119.30 111.39 1m9c s MET 96 Ca 0.36 -0.91 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 1m9c s MET 96 Cb 0.04 0.23 -0.13 0.00 2.01 0.00 0.00 34.83 36.98 1m9c s MET 96 CO 0.20 -0.15 0.31 2.89 -0.01 0.00 0.00 175.02 178.26 1m9c n ARG 97 N 0.52 0.30 -2.49 2.03 1.85 -1.26 -4.90 116.66 112.71 1m9c n ARG 97 Ca -0.17 0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.37 1m9c n ARG 97 Cb 0.59 -1.31 -0.03 0.00 -1.05 0.00 0.00 32.46 30.67 1m9c n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9c s GLU 98 N -1.39 4.45 0.32 2.89 2.02 -1.26 -4.96 118.70 120.75 1m9c s GLU 98 Ca 0.62 1.68 -0.29 0.00 0.02 0.00 0.00 54.97 57.00 1m9c s GLU 98 Cb -0.58 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.15 1m9c s GLU 98 CO 0.60 -0.24 1.24 -1.25 0.02 0.00 0.00 175.26 175.63 1m9c s PRO 99 N 1.24 4.45 0.56 0.39 0.04 -1.26 -5.05 135.00 135.36 1m9c s PRO 99 Ca 0.57 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.71 1m9c s PRO 99 Cb -0.27 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.21 1m9c s PRO 99 CO 0.28 -0.06 0.78 1.03 0.04 0.00 0.00 177.00 179.07 1m9c s ARG 100 N -1.68 2.47 0.20 4.56 1.81 -1.26 -4.92 118.95 120.13 1m9c s ARG 100 Ca 0.47 -0.89 -0.11 0.00 -1.72 0.00 0.00 55.73 53.49 1m9c s ARG 100 Cb -0.37 -2.50 0.25 0.00 -0.45 0.00 0.00 34.95 31.87 1m9c s ARG 100 CO 0.49 -0.76 1.73 0.78 -0.68 0.00 0.00 175.30 176.87 1m9c h GLY 101 N 0.06 0.76 0.82 -3.53 0.00 -1.92 -0.67 103.07 98.59 1m9c h GLY 101 Ca -0.41 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 46.93 1m9c h GLY 101 CO 0.50 -0.04 0.55 1.48 0.00 0.00 0.00 176.54 179.03 1m9c h SER 102 N 0.34 0.76 -0.13 0.19 4.64 -1.95 -2.18 113.55 115.22 1m9c h SER 102 Ca 0.29 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1m9c h SER 102 Cb 0.36 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1m9c h SER 102 CO -0.32 0.46 -0.57 0.44 -0.87 0.00 0.00 176.83 175.98 1m9c h ASP 103 N 0.85 0.81 -0.29 4.97 3.32 -1.47 -0.79 116.42 123.82 1m9c h ASP 103 Ca 0.38 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1m9c h ASP 103 Cb 0.36 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1m9c h ASP 103 CO -0.15 1.21 0.11 0.40 -1.72 0.00 0.00 179.24 179.09 1m9c h ILE 104 N 0.55 0.94 0.00 0.35 2.04 -1.11 -1.59 117.51 118.69 1m9c h ILE 104 Ca 0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1m9c h ILE 104 Cb 1.15 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1m9c h ILE 104 CO 0.12 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1m9c n ALA 105 N -2.28 1.72 -0.68 1.87 0.00 -0.85 -4.67 120.51 115.62 1m9c n ALA 105 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1m9c n ALA 105 Cb 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1m9c n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9c n GLY 106 N 0.12 0.69 0.17 0.00 0.00 -0.60 -4.90 105.19 100.68 1m9c n GLY 106 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1m9c n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9c h THR 107 N 0.00 1.36 -0.09 2.61 2.02 -1.38 -3.35 112.91 114.08 1m9c h THR 107 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1m9c h THR 107 Cb 0.00 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1m9c h THR 107 CO 0.00 0.63 0.00 0.35 0.37 0.00 0.00 175.52 176.87 1m9c n THR 108 N -4.08 0.12 -4.53 3.16 -2.24 -1.13 -5.00 114.28 100.58 1m9c n THR 108 Ca -0.10 -0.56 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 1m9c n THR 108 Cb 0.75 1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 70.12 1m9c n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9c s SER 109 N -1.37 4.59 0.61 3.42 1.04 -1.26 -4.83 113.70 115.89 1m9c s SER 109 Ca 0.22 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 1m9c s SER 109 Cb 0.15 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 1m9c s SER 109 CO 0.22 0.31 1.02 0.42 0.98 0.00 0.00 173.24 176.19 1m9c s THR 110 N -0.92 4.63 0.20 2.02 -4.23 -1.26 -4.86 115.64 111.21 1m9c s THR 110 Ca 0.15 0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 61.48 1m9c s THR 110 Cb -0.11 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.05 1m9c s THR 110 CO 0.05 -1.05 1.73 0.25 -0.54 0.00 0.00 174.62 175.06 1m9c h LEU 111 N -0.12 0.10 -0.41 4.79 5.85 -1.99 -2.05 115.31 121.48 1m9c h LEU 111 Ca -0.44 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1m9c h LEU 111 Cb 1.19 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1m9c h LEU 111 CO 0.62 0.07 0.26 -0.61 -0.34 0.00 0.00 178.44 178.44 1m9c h GLN 112 N 0.32 0.51 -0.71 1.25 4.15 -1.99 -0.95 115.11 117.68 1m9c h GLN 112 Ca 0.28 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.76 1m9c h GLN 112 Cb 0.37 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1m9c h GLN 112 CO -0.33 0.33 0.37 0.93 -1.93 0.00 0.00 178.83 178.21 1m9c h GLU 113 N 0.52 0.63 -0.44 1.69 5.08 -1.92 0.28 114.58 120.43 1m9c h GLU 113 Ca 0.15 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1m9c h GLU 113 Cb -0.03 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1m9c h GLU 113 CO -0.05 0.42 0.22 1.96 -1.00 0.00 0.00 179.01 180.56 1m9c h GLN 114 N 0.65 0.43 -0.26 2.33 4.20 -0.82 -1.49 115.11 120.15 1m9c h GLN 114 Ca 0.34 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.86 1m9c h GLN 114 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1m9c h GLN 114 CO -0.24 0.29 -0.48 0.82 -0.67 0.00 0.00 178.83 178.55 1m9c h ILE 115 N 0.45 1.30 -0.83 2.54 2.04 -0.16 -1.52 117.51 121.32 1m9c h ILE 115 Ca 0.19 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.41 1m9c h ILE 115 Cb 0.09 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1m9c h ILE 115 CO -0.13 0.54 0.55 1.23 0.00 0.00 0.00 178.15 180.34 1m9c h GLY 116 N 0.94 1.18 0.72 5.37 0.00 -0.60 0.10 103.07 110.77 1m9c h GLY 116 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1m9c h GLY 116 CO 0.10 0.31 -0.39 1.49 0.00 0.00 0.00 176.54 178.05 1m9c h TRP 117 N 0.98 0.51 0.00 5.60 6.55 -0.54 -0.28 115.95 128.76 1m9c h TRP 117 Ca 0.35 -0.23 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 1m9c h TRP 117 Cb 0.13 -0.07 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1m9c h TRP 117 CO -0.00 0.99 -0.09 0.52 -1.05 0.00 0.00 178.44 178.81 1m9c h MET 118 N -0.12 0.00 -0.02 0.49 2.86 -0.99 0.58 114.93 117.73 1m9c h MET 118 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1m9c h MET 118 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1m9c h MET 118 CO 0.08 0.09 -0.02 -2.37 1.06 0.00 0.00 176.91 175.75 1m9c n THR 119 N -3.22 0.00 -1.41 2.22 5.66 0.32 -4.64 114.28 113.22 1m9c n THR 119 Ca 0.00 -0.49 -0.29 0.00 -3.05 0.00 0.00 64.05 60.23 1m9c n THR 119 Cb 0.36 1.27 0.15 0.00 -1.55 0.00 0.00 70.33 70.56 1m9c n THR 119 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1m9c s HIS 120 N -1.15 2.39 -0.30 1.09 5.04 -0.12 -4.89 115.29 117.35 1m9c s HIS 120 Ca 0.15 0.93 0.02 0.00 -1.54 0.00 0.00 55.06 54.62 1m9c s HIS 120 Cb 0.11 -3.32 0.09 0.00 0.04 0.00 0.00 32.58 29.49 1m9c s HIS 120 CO 0.18 -2.51 0.02 1.21 -2.34 0.00 0.00 174.74 171.30 1m9c s ASN 121 N -3.82 4.43 0.50 9.88 2.47 -1.26 -1.45 114.94 125.69 1m9c s ASN 121 Ca 0.64 -1.78 -0.21 0.00 0.42 0.00 0.00 52.86 51.93 1m9c s ASN 121 Cb -0.16 -1.40 -0.07 0.00 -1.45 0.00 0.00 41.25 38.17 1m9c s ASN 121 CO 0.55 -0.33 1.12 -2.16 -3.72 0.00 0.00 177.10 172.55 1m9c s PRO 122 N 1.15 3.60 0.71 0.43 0.04 -1.26 -5.14 135.00 134.53 1m9c s PRO 122 Ca 0.05 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1m9c s PRO 122 Cb -0.19 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1m9c s PRO 122 CO -0.10 -0.64 1.08 -1.25 0.04 0.00 0.00 177.00 176.12 1m9c s PRO 123 N -3.05 2.81 -0.26 0.56 0.04 -0.53 -5.03 135.00 129.55 1m9c s PRO 123 Ca 0.68 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1m9c s PRO 123 Cb -0.24 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1m9c s PRO 123 CO 0.28 -1.11 -0.07 0.42 0.04 0.00 0.00 177.00 176.55 1m9c s ILE 124 N -3.21 2.66 -1.35 0.56 1.01 0.20 -4.96 121.20 116.11 1m9c s ILE 124 Ca 0.58 -1.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 1m9c s ILE 124 Cb -0.12 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 40.01 1m9c s ILE 124 CO 0.53 0.11 1.93 -0.81 0.00 0.00 0.00 174.94 176.70 1m9c n PRO 125 N 4.60 3.15 0.00 2.79 -0.04 -1.26 -3.35 135.00 140.89 1m9c n PRO 125 Ca -0.16 -3.11 0.05 0.00 -0.04 0.00 0.00 63.50 60.24 1m9c n PRO 125 Cb 0.45 -3.25 0.44 0.00 -0.04 0.00 0.00 33.50 31.10 1m9c n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9c h VAL 126 N 4.48 1.07 -0.33 0.52 -1.51 -1.90 -1.00 116.25 117.58 1m9c h VAL 126 Ca 0.47 -0.18 -0.15 0.00 -1.23 0.00 0.00 66.70 65.62 1m9c h VAL 126 Cb 0.73 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1m9c h VAL 126 CO 1.64 0.09 -0.38 1.23 -1.23 0.00 0.00 177.57 178.93 1m9c h GLY 127 N 0.51 0.85 1.19 5.19 0.00 -1.85 0.90 103.07 109.86 1m9c h GLY 127 Ca 0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 1m9c h GLY 127 CO -0.04 0.76 -0.22 -2.09 0.00 0.00 0.00 176.54 174.96 1m9c h GLU 128 N 0.64 0.93 -0.06 4.80 4.81 -1.66 0.04 114.58 124.08 1m9c h GLU 128 Ca 0.06 -0.39 -0.24 0.00 -0.13 0.00 0.00 59.36 58.66 1m9c h GLU 128 Cb 0.93 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.29 1m9c h GLU 128 CO 0.09 1.05 -0.92 0.82 -0.73 0.00 0.00 179.01 179.31 1m9c h ILE 129 N 0.80 1.30 -0.44 2.32 2.04 -0.61 -1.68 117.51 121.24 1m9c h ILE 129 Ca 0.10 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 63.72 1m9c h ILE 129 Cb 0.78 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1m9c h ILE 129 CO 0.06 0.67 -0.05 0.22 0.00 0.00 0.00 178.15 179.05 1m9c h TYR 130 N 0.42 0.80 -0.36 1.37 3.20 -0.80 -1.91 116.97 119.69 1m9c h TYR 130 Ca -0.09 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.55 1m9c h TYR 130 Cb 1.56 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 1m9c h TYR 130 CO 0.09 0.77 -0.20 -0.22 -1.64 0.00 0.00 178.16 176.96 1m9c h LYS 131 N 0.69 0.68 -0.39 1.82 3.64 -0.84 0.45 116.57 122.62 1m9c h LYS 131 Ca 0.13 -0.25 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1m9c h LYS 131 Cb 0.50 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1m9c h LYS 131 CO 0.03 0.83 -0.01 0.00 -2.27 0.00 0.00 179.45 178.02 1m9c h ARG 132 N 0.60 0.08 -0.90 1.90 3.08 -0.69 -1.34 114.38 117.12 1m9c h ARG 132 Ca 0.09 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1m9c h ARG 132 Cb 0.67 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1m9c h ARG 132 CO 0.05 0.06 0.50 -1.49 -1.07 0.00 0.00 179.97 178.01 1m9c h TRP 133 N 0.09 1.22 -0.44 3.04 6.55 -0.47 -1.63 115.95 124.30 1m9c h TRP 133 Ca 0.19 -0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.95 1m9c h TRP 133 Cb 0.27 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 1m9c h TRP 133 CO -0.28 0.84 0.06 0.82 -1.05 0.00 0.00 178.44 178.83 1m9c h ILE 134 N 1.25 1.21 -0.27 1.49 2.04 -0.48 -2.01 117.51 120.75 1m9c h ILE 134 Ca 0.32 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1m9c h ILE 134 Cb 0.01 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1m9c h ILE 134 CO -0.05 0.29 -0.38 0.40 0.00 0.00 0.00 178.15 178.41 1m9c h ILE 135 N 0.66 1.29 -0.85 -0.67 2.04 -0.81 0.13 117.51 119.30 1m9c h ILE 135 Ca 0.14 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1m9c h ILE 135 Cb 0.32 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1m9c h ILE 135 CO 0.01 0.49 0.40 -0.07 0.00 0.00 0.00 178.15 178.98 1m9c h LEU 136 N 0.51 1.11 -0.28 1.44 3.38 -1.03 -1.08 115.31 119.36 1m9c h LEU 136 Ca 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1m9c h LEU 136 Cb 0.89 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1m9c h LEU 136 CO 0.08 0.94 0.17 1.23 0.09 0.00 0.00 178.44 180.95 1m9c h GLY 137 N 1.21 0.41 0.57 0.83 0.00 -0.53 -2.88 103.07 102.67 1m9c h GLY 137 Ca 0.29 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.53 1m9c h GLY 137 CO -0.04 0.16 0.36 1.41 0.00 0.00 0.00 176.54 178.43 1m9c h LEU 138 N 0.36 0.49 -0.74 3.11 3.38 -0.51 -0.51 115.31 120.89 1m9c h LEU 138 Ca 0.10 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.29 1m9c h LEU 138 Cb 0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 1m9c h LEU 138 CO -0.02 0.30 0.12 0.78 0.09 0.00 0.00 178.44 179.71 1m9c h ASN 139 N 0.63 -0.11 0.10 -0.43 2.35 -1.10 0.76 115.58 117.78 1m9c h ASN 139 Ca 0.32 0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 56.08 1m9c h ASN 139 Cb 0.28 0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1m9c h ASN 139 CO -0.23 -0.09 -0.58 0.50 -1.65 0.00 0.00 177.43 175.38 1m9c h LYS 140 N 0.20 0.49 -0.06 0.81 3.64 -1.04 -3.06 116.57 117.55 1m9c h LYS 140 Ca 0.42 -0.32 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1m9c h LYS 140 Cb 0.73 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1m9c h LYS 140 CO -0.56 0.93 -0.83 0.82 -2.27 0.00 0.00 179.45 177.54 1m9c h ILE 141 N 0.37 1.36 0.00 2.00 2.04 0.30 -2.74 117.51 120.84 1m9c h ILE 141 Ca 0.00 -2.22 -0.00 0.00 1.00 0.00 0.00 64.86 63.64 1m9c h ILE 141 Cb 1.12 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1m9c h ILE 141 CO 0.10 0.67 -0.02 0.58 0.00 0.00 0.00 178.15 179.49 1m9c h VAL 142 N 0.32 0.74 0.00 1.67 2.07 -0.82 0.38 116.25 120.60 1m9c h VAL 142 Ca -0.06 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1m9c h VAL 142 Cb 1.43 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1m9c h VAL 142 CO 0.15 0.02 0.00 -1.14 0.02 0.00 0.00 177.57 176.62 1m9c n ARG 143 N -4.12 0.75 -0.00 1.57 0.63 -1.03 -0.27 116.66 114.19 1m9c n ARG 143 Ca -0.03 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.96 1m9c n ARG 143 Cb 0.11 -1.28 -0.08 0.00 0.45 0.00 0.00 32.46 31.66 1m9c n ARG 143 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1m9c n MET 144 N -0.78 2.13 -0.85 -0.14 0.00 0.13 -4.28 117.12 113.34 1m9c n MET 144 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 57.70 57.71 1m9c n MET 144 Cb 0.05 -1.16 0.21 0.00 0.00 0.00 0.00 33.22 32.31 1m9c n MET 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1m9c n TYR 145 N -1.48 1.42 1.88 1.12 4.02 -0.70 -5.14 117.16 118.28 1m9c n TYR 145 Ca 0.01 -1.57 0.15 0.00 -0.01 0.00 0.00 57.90 56.49 1m9c n TYR 145 Cb 0.24 -0.55 0.89 0.00 -0.02 0.00 0.00 39.34 39.90 1m9c n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30