#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9y s ILE 2 N 0.00 4.38 0.24 0.52 1.09 -0.82 -0.51 121.20 126.09 1m9y s ILE 2 Ca 0.00 -0.41 -0.14 0.00 -1.10 0.00 0.00 60.65 59.00 1m9y s ILE 2 Cb 0.00 -2.92 0.00 0.00 -1.06 0.00 0.00 42.46 38.48 1m9y s ILE 2 CO 0.00 0.46 0.49 0.68 -0.10 0.00 0.00 174.94 176.48 1m9y s VAL 3 N -1.04 0.01 0.13 2.92 -7.23 -0.29 -4.85 120.40 110.05 1m9y s VAL 3 Ca 0.18 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.88 1m9y s VAL 3 Cb -0.12 -2.06 -0.07 0.00 0.56 0.00 0.00 36.38 34.69 1m9y s VAL 3 CO 0.08 -0.04 0.62 -1.58 -0.31 0.00 0.00 175.10 173.87 1m9y s GLN 4 N -3.98 4.22 0.21 4.82 0.74 -1.26 0.30 119.66 124.71 1m9y s GLN 4 Ca 0.19 0.77 0.03 0.00 0.05 0.00 0.00 55.36 56.40 1m9y s GLN 4 Cb -0.01 -3.12 0.03 0.00 1.10 0.00 0.00 33.01 31.01 1m9y s GLN 4 CO 0.06 0.55 0.24 0.27 -0.55 0.00 0.00 175.29 175.86 1m9y n ASN 5 N 1.34 1.10 -0.30 6.67 0.23 0.33 -4.91 115.26 119.73 1m9y n ASN 5 Ca -0.07 -1.61 0.08 0.00 -0.53 0.00 0.00 54.58 52.45 1m9y n ASN 5 Cb 0.51 -0.10 0.30 0.00 -2.08 0.00 0.00 39.78 38.41 1m9y n ASN 5 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1m9y h LEU 6 N 0.00 0.80 -0.48 -4.53 6.46 -1.98 0.28 115.31 115.85 1m9y h LEU 6 Ca -0.11 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1m9y h LEU 6 Cb 0.46 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1m9y h LEU 6 CO 0.16 0.45 0.00 0.00 -0.62 0.00 0.00 178.44 178.43 1m9y n GLN 7 N -4.55 1.31 -0.62 1.25 3.00 -1.26 -4.90 117.38 111.61 1m9y n GLN 7 Ca 0.16 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1m9y n GLN 7 Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1m9y n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m9y n GLY 8 N 0.88 0.81 3.86 1.08 0.00 0.09 -5.05 105.19 106.85 1m9y n GLY 8 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1m9y n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m9y s GLN 9 N -0.38 3.93 -0.04 1.61 -2.07 -1.26 -4.66 119.66 116.79 1m9y s GLN 9 Ca 0.00 0.60 -0.26 0.00 -1.82 0.00 0.00 55.36 53.88 1m9y s GLN 9 Cb 0.00 -2.42 -0.03 0.00 -1.09 0.00 0.00 33.01 29.46 1m9y s GLN 9 CO 0.00 0.10 0.79 -1.64 -1.32 0.00 0.00 175.29 173.23 1m9y s MET 10 N -3.23 4.48 0.15 9.60 -1.94 -1.26 -0.51 119.30 126.59 1m9y s MET 10 Ca 0.53 1.06 -0.05 0.00 -1.71 0.00 0.00 55.69 55.53 1m9y s MET 10 Cb -0.10 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.26 1m9y s MET 10 CO 0.22 0.03 0.16 0.14 -0.01 0.00 0.00 175.02 175.56 1m9y s VAL 11 N 0.86 0.08 0.15 -6.03 -7.23 0.15 -4.93 120.40 103.46 1m9y s VAL 11 Ca 0.42 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 58.78 1m9y s VAL 11 Cb -0.19 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 1m9y s VAL 11 CO 0.21 -0.37 0.53 -2.28 -0.31 0.00 0.00 175.10 172.89 1m9y s HIS 12 N -4.02 3.58 0.02 2.82 5.65 -1.26 -1.13 115.29 120.94 1m9y s HIS 12 Ca 0.22 1.00 0.05 0.00 0.25 0.00 0.00 55.06 56.58 1m9y s HIS 12 Cb 0.06 -2.33 -0.02 0.00 -1.18 0.00 0.00 32.58 29.11 1m9y s HIS 12 CO 0.02 0.41 -0.14 -1.14 -0.65 0.00 0.00 174.74 173.24 1m9y s GLN 13 N -2.08 1.05 0.59 2.88 0.74 0.33 -4.94 119.66 118.23 1m9y s GLN 13 Ca 0.39 -0.64 -0.18 0.00 0.05 0.00 0.00 55.36 54.97 1m9y s GLN 13 Cb -0.14 -1.04 -0.03 0.00 1.10 0.00 0.00 33.01 32.89 1m9y s GLN 13 CO 0.19 0.27 1.18 0.00 -0.55 0.00 0.00 175.29 176.39 1m9y s ALA 14 N -0.59 2.55 0.26 1.58 0.00 -1.26 0.39 121.76 124.68 1m9y s ALA 14 Ca 0.04 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1m9y s ALA 14 Cb -0.07 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1m9y s ALA 14 CO 0.00 -1.12 1.47 -1.50 0.00 0.00 0.00 175.76 174.62 1m9y s ILE 15 N -1.70 2.52 0.09 0.00 2.07 -1.26 -4.59 121.20 118.32 1m9y s ILE 15 Ca 0.75 0.44 -0.31 0.00 -1.41 0.00 0.00 60.65 60.12 1m9y s ILE 15 Cb -0.28 -3.28 -0.07 0.00 0.13 0.00 0.00 42.46 38.95 1m9y s ILE 15 CO 0.33 0.07 1.42 -0.55 -1.91 0.00 0.00 174.94 174.30 1m9y s SER 16 N 0.38 6.81 0.42 4.50 0.15 -1.26 -4.90 113.70 119.79 1m9y s SER 16 Ca 0.60 2.30 0.12 0.00 0.70 0.00 0.00 55.95 59.67 1m9y s SER 16 Cb -0.43 -2.58 0.92 0.00 -1.71 0.00 0.00 66.02 62.22 1m9y s SER 16 CO 0.45 -0.69 1.97 1.55 1.20 0.00 0.00 173.24 177.72 1m9y h PRO 17 N 7.17 0.13 -0.33 5.44 0.13 -1.98 -0.11 132.00 142.44 1m9y h PRO 17 Ca -0.41 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1m9y h PRO 17 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1m9y h PRO 17 CO 0.88 0.26 0.10 0.00 -0.23 0.00 0.00 178.00 179.01 1m9y h ARG 18 N 0.12 0.52 -0.52 0.86 3.08 -1.98 0.83 114.38 117.29 1m9y h ARG 18 Ca 0.03 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1m9y h ARG 18 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1m9y h ARG 18 CO 0.02 0.55 -0.00 1.15 -1.07 0.00 0.00 179.97 180.62 1m9y h THR 19 N 0.38 1.26 -0.26 2.04 2.02 -1.87 -0.86 112.91 115.62 1m9y h THR 19 Ca 0.11 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.23 1m9y h THR 19 Cb 0.26 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1m9y h THR 19 CO -0.00 0.39 -0.01 -0.07 0.37 0.00 0.00 175.52 176.20 1m9y h LEU 20 N 0.79 -0.12 -1.35 2.58 3.38 -0.52 -1.72 115.31 118.35 1m9y h LEU 20 Ca 0.15 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1m9y h LEU 20 Cb 0.53 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1m9y h LEU 20 CO 0.03 -0.03 -0.05 0.78 0.09 0.00 0.00 178.44 179.26 1m9y h ASN 21 N 0.07 0.35 -0.48 -0.43 2.35 0.86 0.09 115.58 118.38 1m9y h ASN 21 Ca 0.13 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1m9y h ASN 21 Cb 0.17 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1m9y h ASN 21 CO -0.22 0.45 -0.20 0.00 -1.65 0.00 0.00 177.43 175.81 1m9y h ALA 22 N 1.59 0.71 -0.77 -0.83 0.00 -0.76 -1.98 119.26 117.23 1m9y h ALA 22 Ca 0.08 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1m9y h ALA 22 Cb 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1m9y h ALA 22 CO 0.01 0.67 0.29 2.35 0.00 0.00 0.00 179.25 182.58 1m9y h TRP 23 N 0.86 1.18 -0.74 0.00 2.91 -0.47 -2.05 115.95 117.64 1m9y h TRP 23 Ca 0.11 -0.09 0.11 0.00 1.13 0.00 0.00 58.89 60.15 1m9y h TRP 23 Cb 0.78 -0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 29.00 1m9y h TRP 23 CO 0.05 0.90 0.36 0.28 -1.03 0.00 0.00 178.44 179.00 1m9y h VAL 24 N 1.12 0.80 0.00 2.65 2.07 -0.83 -2.50 116.25 119.56 1m9y h VAL 24 Ca 0.26 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1m9y h VAL 24 Cb 0.23 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1m9y h VAL 24 CO -0.02 0.11 -0.54 0.11 0.02 0.00 0.00 177.57 177.25 1m9y h LYS 25 N 0.58 0.00 -0.22 1.57 1.79 -0.89 0.27 116.57 119.67 1m9y h LYS 25 Ca 0.38 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.79 1m9y h LYS 25 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1m9y h LYS 25 CO -0.31 0.54 -0.11 0.28 -1.08 0.00 0.00 179.45 178.77 1m9y h VAL 26 N 0.00 1.31 -0.34 0.50 2.07 -1.08 -0.45 116.25 118.26 1m9y h VAL 26 Ca -0.01 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.17 1m9y h VAL 26 Cb 1.02 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1m9y h VAL 26 CO 0.07 0.36 -0.41 0.58 0.02 0.00 0.00 177.57 178.20 1m9y h VAL 27 N 0.17 1.28 -0.89 2.57 2.07 -1.17 0.23 116.25 120.51 1m9y h VAL 27 Ca 0.05 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.02 1m9y h VAL 27 Cb 0.61 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1m9y h VAL 27 CO 0.03 0.52 0.57 -0.33 0.02 0.00 0.00 177.57 178.39 1m9y h GLU 28 N 0.68 1.06 0.17 1.57 5.08 -0.67 0.07 114.58 122.55 1m9y h GLU 28 Ca 0.05 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1m9y h GLU 28 Cb 0.98 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1m9y h GLU 28 CO 0.09 0.70 -1.69 1.49 -1.00 0.00 0.00 179.01 178.61 1m9y h GLU 29 N 1.10 0.36 -0.01 2.33 4.57 -0.91 -3.40 114.58 118.62 1m9y h GLU 29 Ca 0.36 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1m9y h GLU 29 Cb 0.03 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1m9y h GLU 29 CO -0.13 1.29 -0.32 1.63 -1.18 0.00 0.00 179.01 180.31 1m9y n LYS 30 N -3.66 2.12 0.00 1.92 5.02 0.80 -5.08 118.16 119.27 1m9y n LYS 30 Ca -0.25 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 1m9y n LYS 30 Cb 1.03 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1m9y n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9y n ALA 31 N -0.39 0.00 -2.07 7.82 0.00 0.01 -2.29 120.51 123.59 1m9y n ALA 31 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 1m9y n ALA 31 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.73 1m9y n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9y n PHE 32 N 13.83 3.11 -1.45 0.00 3.72 -1.26 -4.56 117.46 130.85 1m9y n PHE 32 Ca 0.00 -2.69 -0.32 0.00 -0.05 0.00 0.00 57.45 54.38 1m9y n PHE 32 Cb 0.00 -0.57 0.08 0.00 -0.94 0.00 0.00 39.48 38.05 1m9y n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9y s SER 33 N -2.85 4.62 0.32 4.37 1.04 -0.97 -4.24 113.70 115.99 1m9y s SER 33 Ca 0.52 1.97 0.10 0.00 0.48 0.00 0.00 55.95 59.02 1m9y s SER 33 Cb 0.43 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 64.95 1m9y s SER 33 CO -0.14 -1.96 1.67 -0.65 0.98 0.00 0.00 173.24 173.14 1m9y h PRO 34 N -0.61 0.31 -0.52 4.02 0.11 -1.85 0.10 132.00 133.56 1m9y h PRO 34 Ca -0.45 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1m9y h PRO 34 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1m9y h PRO 34 CO 0.52 0.21 0.43 0.93 -0.21 0.00 0.00 178.00 179.87 1m9y h GLU 35 N 0.32 0.00 0.00 1.05 3.07 -1.97 -1.16 114.58 115.89 1m9y h GLU 35 Ca 0.67 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.47 1m9y h GLU 35 Cb 1.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.34 1m9y h GLU 35 CO -0.60 0.00 -0.28 -0.24 -1.40 0.00 0.00 179.01 176.49 1m9y h VAL 36 N 0.00 1.00 0.58 3.13 3.04 -1.14 -3.19 116.25 119.68 1m9y h VAL 36 Ca 0.25 -1.02 -0.02 0.00 -1.01 0.00 0.00 66.70 64.89 1m9y h VAL 36 Cb 1.10 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1m9y h VAL 36 CO -0.00 0.27 -0.33 0.40 -1.01 0.00 0.00 177.57 176.91 1m9y h ILE 37 N 0.00 0.33 -0.46 3.17 2.04 -1.37 -1.19 117.51 120.04 1m9y h ILE 37 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1m9y h ILE 37 Cb 0.56 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1m9y h ILE 37 CO 0.04 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.85 1m9y h PRO 38 N -0.85 0.29 -0.11 2.37 0.11 -1.75 -2.07 132.00 129.99 1m9y h PRO 38 Ca -0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1m9y h PRO 38 Cb 0.67 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1m9y h PRO 38 CO 0.10 0.19 0.06 0.52 -0.21 0.00 0.00 178.00 178.65 1m9y h MET 39 N 0.29 0.15 -0.45 1.05 2.86 -1.49 0.20 114.93 117.55 1m9y h MET 39 Ca 0.21 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 1m9y h MET 39 Cb 0.44 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 1m9y h MET 39 CO -0.04 0.19 0.08 0.35 1.06 0.00 0.00 176.91 178.54 1m9y h PHE 40 N 0.07 0.12 -0.56 -0.22 3.57 -0.94 0.81 116.94 119.79 1m9y h PHE 40 Ca 0.04 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1m9y h PHE 40 Cb 0.09 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1m9y h PHE 40 CO -0.04 -0.01 0.20 0.66 -2.23 0.00 0.00 178.31 176.89 1m9y h SER 41 N 0.20 0.79 -0.64 0.41 4.64 -1.19 -2.84 113.55 114.92 1m9y h SER 41 Ca 0.22 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1m9y h SER 41 Cb 0.29 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1m9y h SER 41 CO -0.30 0.76 0.32 0.00 -0.87 0.00 0.00 176.83 176.74 1m9y h ALA 42 N 1.06 0.83 0.00 5.18 0.00 0.04 -2.59 119.26 123.77 1m9y h ALA 42 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m9y h ALA 42 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1m9y h ALA 42 CO -0.01 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1m9y n LEU 43 N -4.50 0.00 -0.67 0.00 4.77 0.22 -4.00 117.00 112.83 1m9y n LEU 43 Ca 0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1m9y n LEU 43 Cb 0.12 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1m9y n LEU 43 CO 0.38 0.00 0.32 -1.54 -1.33 0.00 0.00 177.39 175.22 1m9y n SER 44 N -0.94 1.40 -4.70 -1.43 3.41 -0.98 -5.00 113.62 105.38 1m9y n SER 44 Ca 0.18 -2.92 -0.43 0.00 -0.26 0.00 0.00 58.87 55.44 1m9y n SER 44 Cb 0.08 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1m9y n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m9y n GLU 45 N -0.62 2.71 -0.94 4.33 -0.58 -1.24 -1.38 120.64 122.92 1m9y n GLU 45 Ca 0.12 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.84 1m9y n GLU 45 Cb 0.79 -2.84 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 1m9y n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m9y n GLY 46 N 4.03 0.52 3.77 0.62 0.00 -1.26 -4.82 105.19 108.04 1m9y n GLY 46 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1m9y n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9y s ALA 47 N -2.34 3.33 0.71 4.61 0.00 -0.48 -1.95 121.76 125.65 1m9y s ALA 47 Ca 0.00 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 1m9y s ALA 47 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1m9y s ALA 47 CO 0.00 -1.05 1.10 0.95 0.00 0.00 0.00 175.76 176.76 1m9y s THR 48 N -1.19 3.33 0.28 0.00 -4.23 -1.26 -4.44 115.64 108.13 1m9y s THR 48 Ca 0.58 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.51 1m9y s THR 48 Cb -0.43 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.25 1m9y s THR 48 CO 0.56 -0.55 1.77 -0.65 -0.54 0.00 0.00 174.62 175.21 1m9y h PRO 49 N -0.68 0.68 -0.51 3.99 0.11 -1.85 -0.45 132.00 133.31 1m9y h PRO 49 Ca -0.45 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1m9y h PRO 49 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1m9y h PRO 49 CO 0.64 0.45 0.27 0.37 -0.21 0.00 0.00 178.00 179.53 1m9y h GLN 50 N 0.71 0.52 -0.38 1.05 4.15 -1.92 -1.18 115.11 118.05 1m9y h GLN 50 Ca 0.50 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 1m9y h GLN 50 Cb 0.71 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1m9y h GLN 50 CO -0.36 0.34 0.22 -0.44 -1.93 0.00 0.00 178.83 176.66 1m9y h ASP 51 N 0.54 0.46 -0.37 -0.69 3.32 -1.49 -1.34 116.42 116.85 1m9y h ASP 51 Ca 0.22 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.25 1m9y h ASP 51 Cb 0.10 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1m9y h ASP 51 CO -0.14 0.40 0.05 -0.07 -1.72 0.00 0.00 179.24 177.76 1m9y h LEU 52 N 0.49 -0.05 -1.10 1.55 3.38 -0.92 -0.71 115.31 117.95 1m9y h LEU 52 Ca 0.13 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1m9y h LEU 52 Cb 0.03 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1m9y h LEU 52 CO -0.02 0.01 0.61 0.78 0.09 0.00 0.00 178.44 179.91 1m9y h ASN 53 N 0.16 1.00 -0.73 -0.43 2.35 -1.07 -1.76 115.58 115.09 1m9y h ASN 53 Ca 0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1m9y h ASN 53 Cb 0.22 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1m9y h ASN 53 CO -0.26 0.68 0.47 0.74 -1.65 0.00 0.00 177.43 177.41 1m9y h THR 54 N 1.15 1.20 -0.87 2.81 2.02 -0.74 0.10 112.91 118.58 1m9y h THR 54 Ca 0.37 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1m9y h THR 54 Cb 0.04 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1m9y h THR 54 CO -0.12 0.19 0.50 0.24 0.37 0.00 0.00 175.52 176.71 1m9y h MET 55 N 1.00 1.20 -0.17 6.66 2.86 -0.90 -2.69 114.93 122.89 1m9y h MET 55 Ca 0.27 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.61 1m9y h MET 55 Cb -0.09 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.33 1m9y h MET 55 CO -0.06 0.86 -0.60 -0.07 1.06 0.00 0.00 176.91 178.10 1m9y h LEU 56 N 1.21 0.64 0.00 1.22 3.38 -0.70 -2.96 115.31 118.10 1m9y h LEU 56 Ca 0.31 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1m9y h LEU 56 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1m9y h LEU 56 CO -0.05 1.10 0.00 0.59 0.09 0.00 0.00 178.44 180.16 1m9y n ASN 57 N -3.94 0.00 0.01 -0.43 3.02 0.30 -2.40 115.26 111.83 1m9y n ASN 57 Ca -0.04 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.13 1m9y n ASN 57 Cb 0.64 -0.49 0.50 0.00 -0.61 0.00 0.00 39.78 39.81 1m9y n ASN 57 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1m9y n THR 58 N -1.49 0.07 -1.94 3.41 5.66 -1.04 -4.82 114.28 114.13 1m9y n THR 58 Ca 0.05 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.59 1m9y n THR 58 Cb 0.23 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 68.66 1m9y n THR 58 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1m9y s VAL 59 N -3.02 3.17 0.00 1.08 1.01 -1.01 -4.94 120.40 116.69 1m9y s VAL 59 Ca 0.13 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 1m9y s VAL 59 Cb 0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 1m9y s VAL 59 CO 0.58 -0.01 0.47 -0.83 0.00 0.00 0.00 175.10 175.31 1m9y s GLY 60 N 2.67 2.53 0.00 4.51 0.00 -1.26 -4.96 107.32 110.81 1m9y s GLY 60 Ca 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1m9y s GLY 60 CO 0.32 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1m9y n GLY 61 N 2.05 -0.05 4.13 0.20 0.00 -1.26 -4.92 105.19 105.33 1m9y n GLY 61 Ca -0.12 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1m9y n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9y n HIS 62 N 0.00 -1.61 -0.23 1.61 -0.00 -1.26 -4.85 115.22 108.88 1m9y n HIS 62 Ca 0.00 0.75 -0.03 0.00 -0.00 0.00 0.00 57.72 58.44 1m9y n HIS 62 Cb 0.00 -3.25 0.08 0.00 -0.00 0.00 0.00 29.99 26.82 1m9y n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9y h GLN 63 N -1.67 0.71 -0.33 -0.41 7.50 -1.98 -0.83 115.11 118.10 1m9y h GLN 63 Ca -0.62 -0.04 -0.06 0.00 0.50 0.00 0.00 58.65 58.42 1m9y h GLN 63 Cb 1.38 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.74 1m9y h GLN 63 CO 0.70 0.47 -0.04 0.00 -1.50 0.00 0.00 178.83 178.46 1m9y h ALA 64 N 1.31 0.45 -0.53 3.87 0.00 -2.00 -1.12 119.26 121.25 1m9y h ALA 64 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1m9y h ALA 64 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1m9y h ALA 64 CO -0.14 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.65 1m9y h ALA 65 N 0.83 0.67 -0.35 0.00 0.00 -1.90 -1.13 119.26 117.39 1m9y h ALA 65 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1m9y h ALA 65 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1m9y h ALA 65 CO 0.03 0.19 -0.04 0.52 0.00 0.00 0.00 179.25 179.95 1m9y h MET 66 N 0.70 0.57 -0.27 0.00 2.07 -0.82 -0.73 114.93 116.44 1m9y h MET 66 Ca 0.19 -0.14 -0.18 0.00 -2.07 0.00 0.00 59.70 57.50 1m9y h MET 66 Cb 0.05 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1m9y h MET 66 CO -0.03 0.62 -0.53 1.96 1.07 0.00 0.00 176.91 180.00 1m9y h GLN 67 N 0.53 0.80 -0.43 1.72 1.08 -1.00 -1.45 115.11 116.36 1m9y h GLN 67 Ca 0.11 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.75 1m9y h GLN 67 Cb 0.41 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1m9y h GLN 67 CO 0.02 1.13 -0.00 1.98 -0.95 0.00 0.00 178.83 181.00 1m9y h MET 68 N 0.62 0.69 -0.18 1.46 4.05 -0.94 -1.27 114.93 119.35 1m9y h MET 68 Ca 0.02 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 1m9y h MET 68 Cb 1.12 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1m9y h MET 68 CO 0.11 0.71 -0.16 1.25 0.23 0.00 0.00 176.91 179.06 1m9y h LEU 69 N 0.65 0.45 -0.54 3.39 5.85 -1.03 -1.47 115.31 122.62 1m9y h LEU 69 Ca 0.13 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.49 1m9y h LEU 69 Cb 0.41 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1m9y h LEU 69 CO 0.02 0.82 0.10 0.50 -0.34 0.00 0.00 178.44 179.53 1m9y h LYS 70 N 0.09 0.22 -0.35 1.25 3.64 -1.11 -0.63 116.57 119.68 1m9y h LYS 70 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1m9y h LYS 70 Cb 0.68 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1m9y h LYS 70 CO 0.04 0.15 0.16 1.49 -2.27 0.00 0.00 179.45 179.01 1m9y h GLU 71 N 0.23 0.32 -0.74 1.90 4.57 -0.93 -0.83 114.58 119.09 1m9y h GLU 71 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1m9y h GLU 71 Cb 0.40 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1m9y h GLU 71 CO -0.37 0.21 0.48 1.15 -1.18 0.00 0.00 179.01 179.29 1m9y h THR 72 N 0.33 1.20 -0.74 0.32 2.02 -0.83 -0.77 112.91 114.42 1m9y h THR 72 Ca 0.15 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1m9y h THR 72 Cb 0.08 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1m9y h THR 72 CO -0.12 0.19 0.49 0.40 0.37 0.00 0.00 175.52 176.85 1m9y h ILE 73 N 1.01 1.18 -0.23 3.11 2.04 -0.89 -1.25 117.51 122.47 1m9y h ILE 73 Ca 0.27 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1m9y h ILE 73 Cb -0.09 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1m9y h ILE 73 CO -0.06 0.18 -0.30 0.78 0.00 0.00 0.00 178.15 178.75 1m9y h ASN 74 N 0.99 0.47 -0.41 1.72 -0.26 -0.79 -0.67 115.58 116.63 1m9y h ASN 74 Ca 0.28 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1m9y h ASN 74 Cb -0.09 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 1m9y h ASN 74 CO -0.07 0.75 0.17 -0.33 -1.06 0.00 0.00 177.43 176.90 1m9y h GLU 75 N 0.40 0.61 -0.38 0.81 5.08 -0.67 -0.83 114.58 119.59 1m9y h GLU 75 Ca 0.05 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1m9y h GLU 75 Cb 0.73 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1m9y h GLU 75 CO 0.06 0.56 -0.24 0.93 -1.00 0.00 0.00 179.01 179.31 1m9y h GLU 76 N 0.52 0.78 -0.44 2.33 4.39 -0.57 -2.04 114.58 119.56 1m9y h GLU 76 Ca 0.14 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1m9y h GLU 76 Cb 0.17 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1m9y h GLU 76 CO -0.01 0.94 0.14 0.00 -1.16 0.00 0.00 179.01 178.92 1m9y h ALA 77 N 1.05 0.58 -0.57 3.43 0.00 -0.92 -0.47 119.26 122.36 1m9y h ALA 77 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1m9y h ALA 77 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1m9y h ALA 77 CO 0.06 0.22 0.29 0.00 0.00 0.00 0.00 179.25 179.82 1m9y h ALA 78 N 0.99 1.45 -0.30 0.00 0.00 -1.07 -1.77 119.26 118.57 1m9y h ALA 78 Ca 0.14 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1m9y h ALA 78 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1m9y h ALA 78 CO -0.01 0.45 -0.41 0.93 0.00 0.00 0.00 179.25 180.22 1m9y h GLU 79 N 0.79 0.72 -0.52 0.00 4.39 -1.13 -0.27 114.58 118.55 1m9y h GLU 79 Ca 0.20 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1m9y h GLU 79 Cb 0.06 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1m9y h GLU 79 CO -0.03 0.99 0.29 2.35 -1.16 0.00 0.00 179.01 181.45 1m9y h TRP 80 N 0.59 0.71 -0.44 4.33 2.91 -0.78 -1.43 115.95 121.84 1m9y h TRP 80 Ca 0.05 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 1m9y h TRP 80 Cb 0.95 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 1m9y h TRP 80 CO 0.05 0.52 0.09 -0.44 -1.03 0.00 0.00 178.44 177.63 1m9y h ASP 81 N 0.69 0.68 -0.92 2.65 5.19 -0.75 -1.52 116.42 122.44 1m9y h ASP 81 Ca 0.18 -0.24 0.13 0.00 -0.62 0.00 0.00 57.03 56.48 1m9y h ASP 81 Cb 0.04 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.29 1m9y h ASP 81 CO -0.03 0.75 0.59 -0.09 -3.12 0.00 0.00 179.24 177.34 1m9y h ARG 82 N 0.58 0.77 -0.00 3.56 2.43 -0.78 -2.49 114.38 118.45 1m9y h ARG 82 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1m9y h ARG 82 Cb 0.34 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1m9y h ARG 82 CO 0.00 0.51 -0.25 1.28 -1.51 0.00 0.00 179.97 180.00 1m9y n LEU 83 N -4.58 0.74 -3.66 3.80 4.77 -0.56 -4.56 117.00 112.95 1m9y n LEU 83 Ca 0.18 -0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 1m9y n LEU 83 Cb 0.42 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1m9y n LEU 83 CO 0.29 0.14 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.30 1m9y s HIS 84 N -2.61 2.27 0.37 -1.77 3.76 -0.62 -5.08 115.29 111.62 1m9y s HIS 84 Ca 0.23 -2.75 -0.28 0.00 -0.15 0.00 0.00 55.06 52.10 1m9y s HIS 84 Cb 0.19 -1.83 -0.11 0.00 1.11 0.00 0.00 32.58 31.93 1m9y s HIS 84 CO 0.54 -0.70 1.40 -0.35 -0.85 0.00 0.00 174.74 174.78 1m9y n PRO 85 N 2.63 2.41 -2.43 8.40 -0.04 -1.26 -4.80 135.00 139.92 1m9y n PRO 85 Ca 0.21 0.85 -0.41 0.00 -0.04 0.00 0.00 63.50 64.11 1m9y n PRO 85 Cb 0.40 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1m9y n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1m9y s VAL 86 N -1.12 3.54 -0.09 0.52 1.01 -1.26 -5.03 120.40 117.97 1m9y s VAL 86 Ca 0.55 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 1m9y s VAL 86 Cb -0.51 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1m9y s VAL 86 CO 0.63 0.29 -0.03 0.00 0.00 0.00 0.00 175.10 175.98 1m9y s ALA 87 N -0.63 3.13 0.09 5.51 0.00 -1.26 -5.08 121.76 123.52 1m9y s ALA 87 Ca 0.48 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 1m9y s ALA 87 Cb -0.32 -1.41 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1m9y s ALA 87 CO 0.39 0.51 1.30 0.00 0.00 0.00 0.00 175.76 177.97 1m9y s ALA 88 N -0.63 3.50 -0.35 0.00 0.00 -1.26 -4.98 121.76 118.04 1m9y s ALA 88 Ca 0.10 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.12 1m9y s ALA 88 Cb -0.12 -3.49 0.18 0.00 0.00 0.00 0.00 23.12 19.69 1m9y s ALA 88 CO 0.02 -0.53 0.55 0.00 0.00 0.00 0.00 175.76 175.80 1m9y s ALA 89 N 1.04 -1.99 0.24 0.00 0.00 -1.26 -5.11 121.76 114.69 1m9y s ALA 89 Ca 0.62 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1m9y s ALA 89 Cb -0.34 -2.49 -0.14 0.00 0.00 0.00 0.00 23.12 20.15 1m9y s ALA 89 CO 0.30 -2.00 1.15 -2.30 0.00 0.00 0.00 175.76 172.91 1m9y n PRO 90 N 4.89 1.46 -2.98 0.00 -0.02 -1.26 -4.88 135.00 132.21 1m9y n PRO 90 Ca 0.07 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 1m9y n PRO 90 Cb 0.53 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 1m9y n PRO 90 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1m9y s ILE 91 N -0.58 4.86 0.35 4.25 1.10 -1.26 -5.06 121.20 124.86 1m9y s ILE 91 Ca 0.65 1.60 -0.06 0.00 -0.51 0.00 0.00 60.65 62.33 1m9y s ILE 91 Cb -0.74 -4.10 -0.05 0.00 0.15 0.00 0.00 42.46 37.72 1m9y s ILE 91 CO 0.56 0.31 0.65 0.00 -2.11 0.00 0.00 174.94 174.34 1m9y s ALA 92 N 0.34 3.52 0.34 1.50 0.00 -1.26 -5.00 121.76 121.20 1m9y s ALA 92 Ca 0.39 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 1m9y s ALA 92 Cb -0.20 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.37 1m9y s ALA 92 CO 0.22 0.08 1.55 -2.30 0.00 0.00 0.00 175.76 175.30 1m9y n PRO 93 N -1.25 2.72 0.00 0.00 -0.02 -1.26 -0.65 135.00 134.53 1m9y n PRO 93 Ca -0.00 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1m9y n PRO 93 Cb 0.54 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1m9y n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9y n GLY 94 N 1.23 1.67 3.81 -1.23 0.00 -1.26 -5.01 105.19 104.40 1m9y n GLY 94 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1m9y n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9y s GLN 95 N -0.48 2.64 0.03 1.61 -0.21 0.18 -5.06 119.66 118.36 1m9y s GLN 95 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.09 1m9y s GLN 95 Cb 0.00 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1m9y s GLN 95 CO 0.00 0.15 -0.09 -1.64 -2.12 0.00 0.00 175.29 171.58 1m9y s MET 96 N -3.92 2.40 0.57 2.91 -1.94 -1.26 -4.78 119.30 113.27 1m9y s MET 96 Ca 0.39 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 1m9y s MET 96 Cb -0.05 -2.41 -0.07 0.00 2.01 0.00 0.00 34.83 34.31 1m9y s MET 96 CO 0.25 0.58 0.84 2.89 -0.01 0.00 0.00 175.02 179.57 1m9y n ARG 97 N 1.43 0.83 -2.72 2.03 1.85 -1.26 -4.94 116.66 113.88 1m9y n ARG 97 Ca -0.15 0.32 -0.41 0.00 -1.00 0.00 0.00 57.85 56.61 1m9y n ARG 97 Cb 0.52 -2.01 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 1m9y n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9y s GLU 98 N -2.47 4.76 0.28 2.89 0.41 -1.26 -4.99 118.70 118.33 1m9y s GLU 98 Ca 0.72 1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 56.48 1m9y s GLU 98 Cb -0.44 -3.33 -0.09 0.00 -1.78 0.00 0.00 34.13 28.48 1m9y s GLU 98 CO 0.50 0.33 1.01 -1.25 -0.49 0.00 0.00 175.26 175.36 1m9y s PRO 99 N -0.49 4.67 0.72 0.39 0.04 -1.26 -5.05 135.00 134.01 1m9y s PRO 99 Ca 0.45 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 1m9y s PRO 99 Cb -0.25 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.29 1m9y s PRO 99 CO 0.31 0.30 1.01 1.03 0.04 0.00 0.00 177.00 179.70 1m9y s ARG 100 N -1.55 1.89 0.20 4.56 1.81 -1.26 -4.91 118.95 119.69 1m9y s ARG 100 Ca 0.45 -0.60 -0.11 0.00 -1.72 0.00 0.00 55.73 53.75 1m9y s ARG 100 Cb -0.27 -2.22 0.15 0.00 -0.45 0.00 0.00 34.95 32.16 1m9y s ARG 100 CO 0.33 -1.38 1.85 0.78 -0.68 0.00 0.00 175.30 176.21 1m9y h GLY 101 N -0.61 0.96 2.00 -3.53 0.00 -1.92 -0.25 103.07 99.71 1m9y h GLY 101 Ca -0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1m9y h GLY 101 CO 0.50 0.30 -0.16 1.48 0.00 0.00 0.00 176.54 178.67 1m9y h SER 102 N 0.86 0.00 -0.13 0.19 4.64 -1.94 -1.79 113.55 115.38 1m9y h SER 102 Ca 0.26 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.40 1m9y h SER 102 Cb -0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1m9y h SER 102 CO -0.08 0.16 -0.62 0.44 -0.87 0.00 0.00 176.83 175.86 1m9y h ASP 103 N 0.00 0.77 -0.66 4.97 3.32 -1.40 -1.35 116.42 122.07 1m9y h ASP 103 Ca -0.00 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.46 1m9y h ASP 103 Cb 0.29 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1m9y h ASP 103 CO 0.02 1.28 0.39 0.40 -1.72 0.00 0.00 179.24 179.61 1m9y h ILE 104 N 0.32 1.03 0.00 0.35 2.04 -0.98 -1.81 117.51 118.46 1m9y h ILE 104 Ca -0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1m9y h ILE 104 Cb 1.26 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1m9y h ILE 104 CO 0.13 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.41 1m9y n ALA 105 N -2.33 1.75 -0.93 1.87 0.00 -0.70 -4.62 120.51 115.55 1m9y n ALA 105 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1m9y n ALA 105 Cb 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1m9y n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9y n GLY 106 N -0.01 0.63 0.25 0.00 0.00 -0.68 -4.89 105.19 100.49 1m9y n GLY 106 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1m9y n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9y h THR 107 N 0.00 1.26 -0.22 2.61 2.02 -1.50 -3.29 112.91 113.80 1m9y h THR 107 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1m9y h THR 107 Cb 0.08 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1m9y h THR 107 CO 0.00 0.38 0.00 0.35 0.37 0.00 0.00 175.52 176.62 1m9y n THR 108 N -4.34 1.20 -4.36 3.16 -2.24 -1.02 -5.01 114.28 101.67 1m9y n THR 108 Ca 0.00 -1.18 -0.28 0.00 -2.27 0.00 0.00 64.05 60.33 1m9y n THR 108 Cb 0.32 0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 1m9y n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9y s SER 109 N -1.22 3.67 0.55 3.42 1.04 -1.24 -4.84 113.70 115.09 1m9y s SER 109 Ca 0.19 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.85 1m9y s SER 109 Cb 0.12 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 1m9y s SER 109 CO 0.10 0.15 0.87 0.42 0.98 0.00 0.00 173.24 175.75 1m9y s THR 110 N -1.40 4.24 0.22 2.02 -4.23 -1.26 -4.83 115.64 110.40 1m9y s THR 110 Ca 0.19 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1m9y s THR 110 Cb -0.09 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.26 1m9y s THR 110 CO 0.10 -0.68 1.76 0.25 -0.54 0.00 0.00 174.62 175.51 1m9y h LEU 111 N -0.03 0.34 -0.97 4.79 5.85 -1.99 -0.36 115.31 122.95 1m9y h LEU 111 Ca -0.46 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1m9y h LEU 111 Cb 1.23 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1m9y h LEU 111 CO 0.61 0.19 0.42 1.56 -0.34 0.00 0.00 178.44 180.88 1m9y h GLN 112 N 0.50 1.15 -0.54 1.25 1.08 -1.99 0.12 115.11 116.68 1m9y h GLN 112 Ca 0.34 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1m9y h GLN 112 Cb 0.41 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1m9y h GLN 112 CO -0.30 0.86 0.00 0.93 -0.95 0.00 0.00 178.83 179.37 1m9y h GLU 113 N 1.15 0.91 -0.38 1.46 5.08 -1.76 0.72 114.58 121.76 1m9y h GLU 113 Ca 0.28 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1m9y h GLU 113 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1m9y h GLU 113 CO -0.04 0.90 -0.08 1.96 -1.00 0.00 0.00 179.01 180.76 1m9y h GLN 114 N 0.84 0.72 -0.84 2.33 4.20 0.41 -0.74 115.11 122.03 1m9y h GLN 114 Ca 0.16 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1m9y h GLN 114 Cb 0.50 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1m9y h GLN 114 CO 0.02 0.86 0.46 0.82 -0.67 0.00 0.00 178.83 180.32 1m9y h ILE 115 N 0.52 1.24 -0.39 2.54 2.04 -0.55 -1.97 117.51 120.95 1m9y h ILE 115 Ca 0.10 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1m9y h ILE 115 Cb 0.58 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1m9y h ILE 115 CO 0.03 0.28 0.20 1.23 0.00 0.00 0.00 178.15 179.89 1m9y h GLY 116 N 1.19 0.54 0.94 5.37 0.00 -0.30 -1.20 103.07 109.61 1m9y h GLY 116 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1m9y h GLY 116 CO -0.05 0.11 0.07 1.49 0.00 0.00 0.00 176.54 178.17 1m9y h TRP 117 N 0.42 0.17 0.00 5.60 6.55 -0.94 -2.64 115.95 125.10 1m9y h TRP 117 Ca 0.16 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 1m9y h TRP 117 Cb 0.06 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1m9y h TRP 117 CO -0.09 0.18 -0.10 0.52 -1.05 0.00 0.00 178.44 177.90 1m9y h MET 118 N 0.11 0.00 -0.15 0.49 2.86 -1.16 0.33 114.93 117.41 1m9y h MET 118 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1m9y h MET 118 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1m9y h MET 118 CO -0.01 0.10 0.00 0.25 1.06 0.00 0.00 176.91 178.31 1m9y n THR 119 N -3.45 0.59 -1.41 2.22 -2.24 -0.47 -4.71 114.28 104.81 1m9y n THR 119 Ca -0.01 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.67 1m9y n THR 119 Cb 0.25 0.77 0.11 0.00 -2.10 0.00 0.00 70.33 69.37 1m9y n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1m9y s HIS 120 N -0.86 2.60 -0.27 4.78 5.04 -1.00 -4.86 115.29 120.73 1m9y s HIS 120 Ca 0.13 1.18 0.03 0.00 -1.54 0.00 0.00 55.06 54.86 1m9y s HIS 120 Cb 0.08 -3.15 0.07 0.00 0.04 0.00 0.00 32.58 29.61 1m9y s HIS 120 CO 0.10 -2.06 -0.09 1.21 -2.34 0.00 0.00 174.74 171.57 1m9y s ASN 121 N -3.72 4.48 0.58 9.88 2.47 -1.26 -0.06 114.94 127.31 1m9y s ASN 121 Ca 0.62 -1.50 -0.11 0.00 0.42 0.00 0.00 52.86 52.29 1m9y s ASN 121 Cb -0.16 -1.55 -0.04 0.00 -1.45 0.00 0.00 41.25 38.04 1m9y s ASN 121 CO 0.55 -0.22 0.97 -2.16 -3.72 0.00 0.00 177.10 172.53 1m9y s PRO 122 N 1.08 3.64 0.57 0.43 0.04 -1.26 -5.14 135.00 134.35 1m9y s PRO 122 Ca -0.06 0.67 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 1m9y s PRO 122 Cb -0.20 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1m9y s PRO 122 CO -0.05 -0.46 1.15 -1.25 0.04 0.00 0.00 177.00 176.43 1m9y s PRO 123 N -4.93 3.19 -0.32 0.56 0.04 0.91 -5.02 135.00 129.42 1m9y s PRO 123 Ca 0.54 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 1m9y s PRO 123 Cb -0.11 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.51 1m9y s PRO 123 CO 0.49 -0.99 0.04 0.42 0.04 0.00 0.00 177.00 177.00 1m9y s ILE 124 N -1.78 3.18 -1.48 0.56 1.09 0.09 -4.98 121.20 117.87 1m9y s ILE 124 Ca 0.73 -1.41 -0.11 0.00 -1.10 0.00 0.00 60.65 58.76 1m9y s ILE 124 Cb -0.25 -2.86 0.02 0.00 -1.06 0.00 0.00 42.46 38.31 1m9y s ILE 124 CO 0.30 -0.19 2.43 -0.81 -0.10 0.00 0.00 174.94 176.57 1m9y n PRO 125 N 4.66 3.35 0.23 2.79 -0.04 -1.26 -3.22 135.00 141.51 1m9y n PRO 125 Ca -0.12 -2.66 0.08 0.00 -0.04 0.00 0.00 63.50 60.76 1m9y n PRO 125 Cb 0.43 -3.04 0.57 0.00 -0.04 0.00 0.00 33.50 31.43 1m9y n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9y h VAL 126 N 3.54 0.88 -0.10 0.52 -1.51 -1.91 -0.97 116.25 116.70 1m9y h VAL 126 Ca 0.65 -0.74 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1m9y h VAL 126 Cb 0.50 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1m9y h VAL 126 CO 1.79 0.19 0.05 1.23 -1.23 0.00 0.00 177.57 179.60 1m9y h GLY 127 N 0.87 0.16 0.98 5.19 0.00 -1.86 -0.02 103.07 108.39 1m9y h GLY 127 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1m9y h GLY 127 CO 0.03 0.08 0.07 0.83 0.00 0.00 0.00 176.54 177.55 1m9y h GLU 128 N 0.02 0.80 0.19 4.80 5.08 -1.47 -1.41 114.58 122.60 1m9y h GLU 128 Ca 0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1m9y h GLU 128 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1m9y h GLU 128 CO -0.00 0.81 -0.16 0.82 -1.00 0.00 0.00 179.01 179.47 1m9y h ILE 129 N 0.67 0.65 -0.12 3.13 2.04 -1.25 -1.14 117.51 121.49 1m9y h ILE 129 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1m9y h ILE 129 Cb 0.40 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1m9y h ILE 129 CO 0.01 0.00 -0.21 0.22 0.00 0.00 0.00 178.15 178.17 1m9y h TYR 130 N -0.37 0.21 -0.25 1.37 3.20 -0.98 -2.48 116.97 117.68 1m9y h TYR 130 Ca -0.01 -0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 1m9y h TYR 130 Cb 0.34 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1m9y h TYR 130 CO -0.12 0.40 -0.51 -0.22 -1.64 0.00 0.00 178.16 176.06 1m9y h LYS 131 N 0.18 0.70 -0.56 1.82 3.64 -1.00 -0.96 116.57 120.40 1m9y h LYS 131 Ca 0.03 -0.42 0.08 0.00 -1.27 0.00 0.00 60.65 59.07 1m9y h LYS 131 Cb 0.47 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1m9y h LYS 131 CO 0.03 1.05 0.19 0.00 -2.27 0.00 0.00 179.45 178.45 1m9y h ARG 132 N 0.55 0.35 -0.59 1.90 3.08 -0.96 -0.20 114.38 118.51 1m9y h ARG 132 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1m9y h ARG 132 Cb 1.08 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1m9y h ARG 132 CO 0.11 0.23 0.25 -1.49 -1.07 0.00 0.00 179.97 178.00 1m9y h TRP 133 N 0.36 0.88 -0.16 3.04 6.55 -0.77 -1.23 115.95 124.63 1m9y h TRP 133 Ca 0.28 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 60.06 1m9y h TRP 133 Cb 0.34 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 1m9y h TRP 133 CO -0.18 0.70 0.10 0.82 -1.05 0.00 0.00 178.44 178.83 1m9y h ILE 134 N 0.81 1.03 -0.47 1.49 2.04 -0.94 0.20 117.51 121.67 1m9y h ILE 134 Ca 0.20 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1m9y h ILE 134 Cb 0.18 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1m9y h ILE 134 CO -0.02 0.04 0.25 0.40 0.00 0.00 0.00 178.15 178.82 1m9y h ILE 135 N 0.21 1.15 -0.46 -0.67 2.04 -0.81 0.44 117.51 119.41 1m9y h ILE 135 Ca 0.06 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 1m9y h ILE 135 Cb -0.02 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1m9y h ILE 135 CO -0.02 0.17 -0.25 -0.07 0.00 0.00 0.00 178.15 177.98 1m9y h LEU 136 N 0.65 0.99 -0.41 1.44 3.38 -0.79 -1.36 115.31 119.21 1m9y h LEU 136 Ca 0.17 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1m9y h LEU 136 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1m9y h LEU 136 CO -0.03 1.18 0.23 1.23 0.09 0.00 0.00 178.44 181.14 1m9y h GLY 137 N 0.87 0.62 0.22 0.83 0.00 0.56 -2.98 103.07 103.19 1m9y h GLY 137 Ca 0.10 -0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.26 1m9y h GLY 137 CO 0.07 0.27 0.18 1.41 0.00 0.00 0.00 176.54 178.47 1m9y h LEU 138 N 0.54 0.10 -1.21 3.11 3.38 0.21 -1.34 115.31 120.11 1m9y h LEU 138 Ca 0.15 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.40 1m9y h LEU 138 Cb 0.06 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1m9y h LEU 138 CO -0.02 0.05 0.61 0.78 0.09 0.00 0.00 178.44 179.95 1m9y h ASN 139 N 0.33 0.66 -0.13 -0.43 2.35 -1.11 0.18 115.58 117.42 1m9y h ASN 139 Ca 0.33 0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.98 1m9y h ASN 139 Cb 0.48 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1m9y h ASN 139 CO -0.38 0.27 -0.60 0.50 -1.65 0.00 0.00 177.43 175.57 1m9y h LYS 140 N 0.66 0.63 0.00 0.81 3.64 -1.27 -3.34 116.57 117.71 1m9y h LYS 140 Ca 0.52 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1m9y h LYS 140 Cb 0.93 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1m9y h LYS 140 CO -0.28 1.13 -0.26 -0.84 -2.27 0.00 0.00 179.45 176.93 1m9y h ILE 141 N 0.29 0.18 0.00 2.00 3.07 -0.35 -3.00 117.51 119.70 1m9y h ILE 141 Ca -0.04 -1.26 -0.01 0.00 1.55 0.00 0.00 64.86 65.10 1m9y h ILE 141 Cb 1.23 2.02 -0.00 0.00 -0.27 0.00 0.00 36.82 39.80 1m9y h ILE 141 CO 0.12 0.10 -0.06 -0.37 -1.05 0.00 0.00 178.15 176.90 1m9y h VAL 142 N 0.00 0.24 -0.10 0.16 -1.51 -0.80 -1.38 116.25 112.87 1m9y h VAL 142 Ca -0.01 -0.44 0.03 0.00 -1.23 0.00 0.00 66.70 65.06 1m9y h VAL 142 Cb 1.09 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1m9y h VAL 142 CO 0.01 0.06 0.17 0.03 -1.23 0.00 0.00 177.57 176.61 1m9y h ARG 143 N 0.00 0.00 -0.01 5.19 3.08 -1.68 -0.24 114.38 120.72 1m9y h ARG 143 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1m9y h ARG 143 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1m9y h ARG 143 CO 0.01 0.00 -0.07 -1.33 -1.07 0.00 0.00 179.97 177.51 1m9y n MET 144 N -3.45 1.14 -0.00 0.04 2.81 -0.52 -3.49 117.12 113.65 1m9y n MET 144 Ca -0.00 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 1m9y n MET 144 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1m9y n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1m9y n TYR 145 N -0.48 0.00 -0.96 2.03 4.02 -0.53 -5.10 117.16 116.15 1m9y n TYR 145 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1m9y n TYR 145 Cb 0.29 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1m9y n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30