#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 2.47 -0.41 1.61 0.01 -1.26 -5.08 113.70 111.04 2e9h s SER 2 Ca 0.00 -1.54 -0.27 0.00 1.31 0.00 0.00 55.95 55.45 2e9h s SER 2 Cb 0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2e9h s SER 2 CO 0.00 -0.80 2.03 -0.55 0.41 0.00 0.00 173.24 174.33 2e9h s SER 3 N -3.53 5.34 -0.27 2.44 0.15 -1.26 -4.93 113.70 111.64 2e9h s SER 3 Ca 0.30 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 2e9h s SER 3 Cb 0.05 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.93 2e9h s SER 3 CO 0.15 -2.17 0.07 -0.83 1.20 0.00 0.00 173.24 171.65 2e9h s GLY 4 N 8.32 0.99 -0.01 9.45 0.00 -1.26 -5.11 107.32 119.71 2e9h s GLY 4 Ca 0.85 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2e9h s GLY 4 CO 0.29 1.50 0.00 -0.45 0.00 0.00 0.00 173.10 174.44 2e9h s SER 5 N 1.66 0.14 -0.41 1.64 0.15 -1.26 -5.12 113.70 110.50 2e9h s SER 5 Ca 0.05 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2e9h s SER 5 Cb -0.17 -0.05 0.11 0.00 -1.71 0.00 0.00 66.02 64.20 2e9h s SER 5 CO -0.19 -0.03 0.16 -0.44 1.20 0.00 0.00 173.24 173.94 2e9h s SER 6 N 0.35 4.84 0.00 5.45 0.01 -1.26 -4.99 113.70 118.11 2e9h s SER 6 Ca -0.03 -2.35 0.00 0.00 1.31 0.00 0.00 55.95 54.88 2e9h s SER 6 Cb -0.05 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2e9h s SER 6 CO -0.01 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2e9h n GLY 7 N 4.05 -0.01 2.80 3.44 0.00 -1.26 -4.90 105.19 109.32 2e9h n GLY 7 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2e9h n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2e9h n MET 8 N -0.18 -1.87 -4.01 1.61 -0.00 -1.26 -4.85 117.12 106.56 2e9h n MET 8 Ca 0.00 0.04 -0.21 0.00 -0.00 0.00 0.00 57.70 57.53 2e9h n MET 8 Cb 0.00 -3.63 -0.03 0.00 -0.00 0.00 0.00 33.22 29.56 2e9h n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2e9h s SER 9 N -2.05 5.98 0.16 3.17 0.01 -1.26 -4.45 113.70 115.26 2e9h s SER 9 Ca 0.26 -0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.55 2e9h s SER 9 Cb -0.15 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 2e9h s SER 9 CO 0.32 -0.07 -0.22 0.68 0.41 0.00 0.00 173.24 174.36 2e9h s VAL 10 N -2.05 2.06 0.09 3.43 -7.23 -0.75 -4.92 120.40 111.02 2e9h s VAL 10 Ca 0.34 -1.87 -0.35 0.00 -1.81 0.00 0.00 61.98 58.28 2e9h s VAL 10 Cb -0.08 -1.92 -0.18 0.00 0.56 0.00 0.00 36.38 34.76 2e9h s VAL 10 CO 0.27 -0.14 0.99 0.59 -0.31 0.00 0.00 175.10 176.50 2e9h n ASN 11 N 0.50 0.17 -0.46 4.85 4.13 -1.26 -2.20 115.26 120.99 2e9h n ASN 11 Ca -0.15 1.15 0.39 0.00 1.68 0.00 0.00 54.58 57.65 2e9h n ASN 11 Cb 0.55 -1.02 0.67 0.00 -1.54 0.00 0.00 39.78 38.45 2e9h n ASN 11 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2e9h h VAL 12 N 2.51 0.03 -4.47 2.41 2.07 -1.88 -3.37 116.25 113.55 2e9h h VAL 12 Ca -0.44 -0.01 -0.70 0.00 0.82 0.00 0.00 66.70 66.38 2e9h h VAL 12 Cb 1.40 0.01 -0.28 0.00 -1.52 0.00 0.00 31.29 30.90 2e9h h VAL 12 CO 0.65 0.00 -0.88 0.20 0.02 0.00 0.00 177.57 177.57 2e9h s ASN 13 N -4.34 3.18 0.15 0.57 0.02 -1.26 -4.92 114.94 108.33 2e9h s ASN 13 Ca -0.08 -0.48 -0.09 0.00 -1.02 0.00 0.00 52.86 51.20 2e9h s ASN 13 Cb 0.31 -0.38 -0.03 0.00 0.02 0.00 0.00 41.25 41.18 2e9h s ASN 13 CO 0.82 0.30 1.43 0.03 0.02 0.00 0.00 177.10 179.71 2e9h h ARG 14 N 5.28 0.77 -0.90 -0.60 2.47 -1.97 -3.13 114.38 116.29 2e9h h ARG 14 Ca -0.44 -0.50 0.09 0.00 -1.26 0.00 0.00 59.98 57.87 2e9h h ARG 14 Cb 1.13 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.45 2e9h h ARG 14 CO 0.46 1.12 0.58 0.66 0.56 0.00 0.00 179.97 183.36 2e9h h SER 15 N 0.58 0.84 -3.73 7.04 4.64 -1.96 -3.38 113.55 117.59 2e9h h SER 15 Ca 0.01 0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.69 2e9h h SER 15 Cb 1.16 -0.16 -0.17 0.00 -0.31 0.00 0.00 62.40 62.92 2e9h h SER 15 CO 0.12 0.51 -0.39 0.54 -0.87 0.00 0.00 176.83 176.74 2e9h s VAL 16 N -5.85 5.23 -0.40 0.95 0.11 -1.18 -4.96 120.40 114.31 2e9h s VAL 16 Ca -0.11 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2e9h s VAL 16 Cb 0.21 -3.72 0.44 0.00 -1.53 0.00 0.00 36.38 31.78 2e9h s VAL 16 CO 0.80 0.02 1.31 -0.24 -3.33 0.00 0.00 175.10 173.66 2e9h n SER 17 N 5.23 5.34 -4.85 3.54 2.88 -1.26 -4.59 113.62 119.90 2e9h n SER 17 Ca -0.11 -3.75 -0.37 0.00 -1.33 0.00 0.00 58.87 53.31 2e9h n SER 17 Cb 0.50 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 2e9h n SER 17 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2e9h s ASP 18 N -3.26 6.48 0.25 -3.46 1.11 -1.26 -5.00 116.67 111.55 2e9h s ASP 18 Ca 0.52 0.58 -0.03 0.00 0.18 0.00 0.00 52.55 53.80 2e9h s ASP 18 Cb 0.42 -2.12 0.31 0.00 1.07 0.00 0.00 42.92 42.60 2e9h s ASP 18 CO -0.04 0.36 1.77 0.06 1.18 0.00 0.00 175.17 178.50 2e9h h GLN 19 N 5.11 0.87 -0.89 8.23 3.07 -2.04 -3.03 115.11 126.44 2e9h h GLN 19 Ca -0.53 -0.21 0.19 0.00 0.09 0.00 0.00 58.65 58.20 2e9h h GLN 19 Cb 1.22 -0.11 -0.17 0.00 0.08 0.00 0.00 27.48 28.50 2e9h h GLN 19 CO 0.61 0.82 -0.16 0.74 0.09 0.00 0.00 178.83 180.93 2e9h h PHE 20 N 0.82 -0.36 0.00 0.06 0.04 -2.02 -3.39 116.94 112.09 2e9h h PHE 20 Ca 0.17 0.08 -0.64 0.00 2.80 0.00 0.00 57.97 60.37 2e9h h PHE 20 Cb 0.39 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.78 2e9h h PHE 20 CO 0.02 -0.37 1.40 0.98 -0.60 0.00 0.00 178.31 179.74 2e9h n TYR 21 N -5.53 0.90 0.09 -0.55 4.19 -1.15 -4.83 117.16 110.28 2e9h n TYR 21 Ca 0.15 0.60 -0.04 0.00 3.31 0.00 0.00 57.90 61.93 2e9h n TYR 21 Cb 0.50 -2.21 -0.02 0.00 0.49 0.00 0.00 39.34 38.11 2e9h n TYR 21 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2e9h h ARG 22 N 9.55 -0.23 -6.72 2.98 2.43 -1.91 -3.45 114.38 117.03 2e9h h ARG 22 Ca -0.08 0.02 -0.57 0.00 -0.81 0.00 0.00 59.98 58.53 2e9h h ARG 22 Cb 1.31 0.05 0.12 0.00 -0.42 0.00 0.00 29.97 31.03 2e9h h ARG 22 CO 1.14 -0.15 0.40 0.66 -1.51 0.00 0.00 179.97 180.51 2e9h n TYR 23 N -3.00 1.94 -4.06 2.20 4.01 -1.26 -5.00 117.16 111.99 2e9h n TYR 23 Ca -0.03 0.56 -0.10 0.00 -0.16 0.00 0.00 57.90 58.16 2e9h n TYR 23 Cb 0.09 -2.36 -0.06 0.00 -0.31 0.00 0.00 39.34 36.70 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N -1.95 1.49 -0.07 -0.72 1.02 -1.26 -3.82 119.74 114.43 2e9h s LYS 24 Ca 0.58 -1.41 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 2e9h s LYS 24 Cb -0.57 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 2e9h s LYS 24 CO 0.60 -0.59 0.23 0.00 -0.92 0.00 0.00 175.35 174.67 2e9h s MET 25 N -3.96 0.33 0.32 1.68 0.23 -0.94 -4.84 119.30 112.13 2e9h s MET 25 Ca 0.28 0.21 -0.29 0.00 -1.03 0.00 0.00 55.69 54.86 2e9h s MET 25 Cb 0.02 0.16 -0.10 0.00 -1.53 0.00 0.00 34.83 33.37 2e9h s MET 25 CO 0.11 -0.05 1.23 -1.25 -2.03 0.00 0.00 175.02 173.02 2e9h s PRO 26 N -0.16 4.44 -0.10 3.16 0.04 -1.26 -1.81 135.00 139.31 2e9h s PRO 26 Ca -0.03 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2e9h s PRO 26 Cb -0.03 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 2e9h s PRO 26 CO 0.01 -0.05 2.09 0.54 0.04 0.00 0.00 177.00 179.62 2e9h n ARG 27 N 0.90 2.35 -1.66 4.56 3.00 -1.26 -4.74 116.66 119.80 2e9h n ARG 27 Ca -0.00 0.78 -0.40 0.00 -0.01 0.00 0.00 57.85 58.21 2e9h n ARG 27 Cb 0.43 -3.06 0.02 0.00 0.00 0.00 0.00 32.46 29.85 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2e9h n LEU 28 N 9.37 3.63 -4.61 0.55 -0.00 -1.26 -4.99 117.00 119.70 2e9h n LEU 28 Ca 0.25 1.02 -0.34 0.00 -0.00 0.00 0.00 56.01 56.95 2e9h n LEU 28 Cb 0.41 -1.44 -0.11 0.00 -0.00 0.00 0.00 43.42 42.28 2e9h n LEU 28 CO 0.68 -1.12 -0.36 -0.63 -0.00 0.00 0.00 177.39 175.96 2e9h s ILE 29 N -1.28 3.83 -0.12 1.47 1.01 -1.26 -4.93 121.20 119.92 2e9h s ILE 29 Ca 0.65 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2e9h s ILE 29 Cb -0.50 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.40 2e9h s ILE 29 CO 0.55 0.57 -0.10 0.00 0.00 0.00 0.00 174.94 175.96 2e9h s ALA 30 N -0.86 1.47 -0.06 9.38 0.00 -1.26 -2.51 121.76 127.91 2e9h s ALA 30 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 2e9h s ALA 30 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2e9h s ALA 30 CO 0.03 -0.35 0.16 0.21 0.00 0.00 0.00 175.76 175.80 2e9h s LYS 31 N 1.55 3.43 0.07 0.00 2.20 -0.89 -4.64 119.74 121.47 2e9h s LYS 31 Ca 0.03 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 2e9h s LYS 31 Cb -0.13 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2e9h s LYS 31 CO -0.08 0.72 -0.08 0.08 -0.36 0.00 0.00 175.35 175.64 2e9h s VAL 32 N -1.18 0.69 0.01 4.02 1.01 -1.26 -1.29 120.40 122.40 2e9h s VAL 32 Ca 0.21 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.61 2e9h s VAL 32 Cb -0.12 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2e9h s VAL 32 CO 0.12 -0.61 0.11 -1.61 0.00 0.00 0.00 175.10 173.11 2e9h s GLU 33 N -2.70 0.46 0.68 2.72 0.41 -1.26 -5.02 118.70 114.00 2e9h s GLU 33 Ca 0.02 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 2e9h s GLU 33 Cb -0.03 0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.51 2e9h s GLU 33 CO -0.02 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.06 2e9h n GLY 34 N 1.43 -0.50 2.88 -1.39 0.00 -1.26 -3.90 105.19 102.45 2e9h n GLY 34 Ca -0.23 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 2e9h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9h s LYS 35 N -0.38 0.35 0.00 1.61 -2.85 -1.26 -4.66 119.74 112.55 2e9h s LYS 35 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2e9h s LYS 35 Cb 0.00 -0.52 0.00 0.00 -2.06 0.00 0.00 37.83 35.25 2e9h s LYS 35 CO 0.00 -0.82 0.00 0.41 0.10 0.00 0.00 175.35 175.04 2e9h n GLY 36 N 5.35 2.36 1.74 0.59 0.00 -1.26 -4.77 105.19 109.19 2e9h n GLY 36 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2e9h n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e9h n ASN 37 N 1.04 5.04 0.00 1.61 2.85 -1.26 -4.53 115.26 120.02 2e9h n ASN 37 Ca 0.00 -2.90 0.00 0.00 -0.11 0.00 0.00 54.58 51.57 2e9h n ASN 37 Cb 0.00 -0.88 0.00 0.00 1.24 0.00 0.00 39.78 40.14 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2e9h n GLY 38 N 0.10 1.94 3.68 8.20 0.00 -1.26 -5.01 105.19 112.84 2e9h n GLY 38 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 4.05 0.02 -0.61 2.07 -1.25 -4.86 121.20 118.61 2e9h s ILE 39 Ca 0.00 1.37 -0.01 0.00 -1.41 0.00 0.00 60.65 60.60 2e9h s ILE 39 Cb 0.00 -3.88 -0.01 0.00 0.13 0.00 0.00 42.46 38.69 2e9h s ILE 39 CO 0.00 -0.03 0.00 -1.59 -1.91 0.00 0.00 174.94 171.41 2e9h s LYS 40 N 2.60 0.33 -0.26 3.50 -2.85 -1.26 -3.74 119.74 118.05 2e9h s LYS 40 Ca 0.59 -0.54 -0.11 0.00 -1.00 0.00 0.00 55.97 54.92 2e9h s LYS 40 Cb -0.27 0.12 -0.05 0.00 -2.06 0.00 0.00 37.83 35.58 2e9h s LYS 40 CO 0.22 -0.06 0.17 0.99 0.10 0.00 0.00 175.35 176.78 2e9h s THR 41 N -1.36 5.26 -0.37 3.79 2.01 -0.77 -4.02 115.64 120.17 2e9h s THR 41 Ca -0.15 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2e9h s THR 41 Cb -0.09 -3.48 0.07 0.00 0.01 0.00 0.00 72.50 69.00 2e9h s THR 41 CO -0.00 0.29 0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 2e9h s VAL 42 N 1.49 3.65 -1.16 3.82 1.01 -0.41 -0.19 120.40 128.61 2e9h s VAL 42 Ca 0.07 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.37 2e9h s VAL 42 Cb -0.15 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2e9h s VAL 42 CO 0.08 -0.37 1.90 -0.63 0.00 0.00 0.00 175.10 176.09 2e9h s ILE 43 N 1.32 3.61 0.11 2.22 1.01 -1.20 -2.09 121.20 126.19 2e9h s ILE 43 Ca 0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 2e9h s ILE 43 Cb -0.21 -4.59 -0.09 0.00 0.01 0.00 0.00 42.46 37.57 2e9h s ILE 43 CO 0.00 -1.13 1.60 0.58 0.00 0.00 0.00 174.94 175.99 2e9h h VAL 44 N 6.24 0.25 -0.04 2.92 2.07 -1.77 -2.02 116.25 123.89 2e9h h VAL 44 Ca 0.23 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.65 2e9h h VAL 44 Cb 0.94 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2e9h h VAL 44 CO 1.26 0.00 -0.13 -3.20 0.02 0.00 0.00 177.57 175.51 2e9h n ASN 45 N -5.44 5.37 -0.06 0.57 5.15 -1.25 -4.28 115.26 115.32 2e9h n ASN 45 Ca -0.07 -2.48 -0.07 0.00 -0.60 0.00 0.00 54.58 51.35 2e9h n ASN 45 Cb 0.35 -1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 38.30 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 1.89 0.00 -0.45 1.20 1.85 -1.66 -3.23 114.93 114.52 2e9h h MET 46 Ca 0.10 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.14 2e9h h MET 46 Cb 1.20 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 2e9h h MET 46 CO 0.14 0.46 0.10 0.28 -0.40 0.00 0.00 176.91 177.49 2e9h h VAL 47 N -1.00 1.20 0.05 -5.77 2.07 -1.82 -2.54 116.25 108.44 2e9h h VAL 47 Ca -0.02 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2e9h h VAL 47 Cb 0.52 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2e9h h VAL 47 CO -0.01 0.27 -0.04 -0.78 0.02 0.00 0.00 177.57 177.03 2e9h h ASP 48 N 0.66 -0.10 -0.82 0.57 1.82 -1.85 -0.04 116.42 116.66 2e9h h ASP 48 Ca 0.15 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 56.99 2e9h h ASP 48 Cb 0.27 0.03 -0.12 0.00 0.68 0.00 0.00 39.33 40.19 2e9h h ASP 48 CO -0.00 -0.05 0.26 -0.37 -1.61 0.00 0.00 179.24 177.47 2e9h h VAL 49 N -0.08 0.47 -0.08 2.25 -1.51 -1.59 -0.77 116.25 114.94 2e9h h VAL 49 Ca -0.01 -0.11 0.04 0.00 -1.23 0.00 0.00 66.70 65.39 2e9h h VAL 49 Cb 0.07 0.13 -0.04 0.00 -2.13 0.00 0.00 31.29 29.32 2e9h h VAL 49 CO 0.00 0.06 -0.15 0.00 -1.23 0.00 0.00 177.57 176.25 2e9h h ALA 50 N 1.67 -0.11 -0.79 5.19 0.00 -1.30 -2.09 119.26 121.83 2e9h h ALA 50 Ca 0.49 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.60 2e9h h ALA 50 Cb 0.88 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2e9h h ALA 50 CO -0.54 -0.62 0.29 0.87 0.00 0.00 0.00 179.25 179.25 2e9h h LYS 51 N -0.21 0.38 -0.71 0.00 1.57 0.51 0.22 116.57 118.32 2e9h h LYS 51 Ca 0.08 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2e9h h LYS 51 Cb 0.32 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2e9h h LYS 51 CO -0.21 0.25 0.47 0.00 -0.57 0.00 0.00 179.45 179.39 2e9h h ALA 52 N 1.61 1.74 -0.20 3.86 0.00 -1.02 0.11 119.26 125.35 2e9h h ALA 52 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2e9h h ALA 52 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2e9h h ALA 52 CO -0.46 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.21 2e9h n LEU 53 N -4.48 2.40 -3.01 0.00 4.77 0.73 -4.86 117.00 112.55 2e9h n LEU 53 Ca 0.11 -1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 54.73 2e9h n LEU 53 Cb 0.25 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2e9h n LEU 53 CO 0.33 0.37 -0.06 0.59 -1.33 0.00 0.00 177.39 177.29 2e9h n ASN 54 N 0.22 -2.28 -4.01 -1.43 3.02 0.39 -4.90 115.26 106.26 2e9h n ASN 54 Ca 0.09 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.51 2e9h n ASN 54 Cb 0.51 -1.99 -0.11 0.00 -0.61 0.00 0.00 39.78 37.58 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e9h s ARG 55 N -5.59 0.40 0.43 3.52 0.52 -1.04 -5.04 118.95 112.15 2e9h s ARG 55 Ca 0.22 -0.72 -0.24 0.00 -0.52 0.00 0.00 55.73 54.47 2e9h s ARG 55 Cb -0.12 0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.30 2e9h s ARG 55 CO 0.27 -0.04 1.18 -1.25 0.02 0.00 0.00 175.30 175.48 2e9h s PRO 56 N -1.81 3.89 0.01 3.54 0.04 -1.26 -3.74 135.00 135.68 2e9h s PRO 56 Ca -0.12 1.83 0.15 0.00 0.04 0.00 0.00 61.00 62.90 2e9h s PRO 56 Cb -0.08 -2.54 0.62 0.00 0.04 0.00 0.00 34.50 32.54 2e9h s PRO 56 CO -0.02 -0.46 1.47 -0.35 0.04 0.00 0.00 177.00 177.68 2e9h n PRO 57 N -0.21 0.01 0.23 0.56 -0.04 -1.26 -2.69 135.00 131.59 2e9h n PRO 57 Ca 0.06 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 2e9h n PRO 57 Cb 0.47 -1.52 0.56 0.00 -0.04 0.00 0.00 33.50 32.98 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 0.77 0.39 0.52 1.35 -1.97 0.80 112.91 114.76 2e9h h THR 58 Ca 0.00 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2e9h h THR 58 Cb 0.25 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2e9h h THR 58 CO 0.00 0.21 -0.19 1.88 -0.25 0.00 0.00 175.52 177.17 2e9h h TYR 59 N 0.00 -0.48 0.06 4.73 0.05 -1.91 -3.12 116.97 116.29 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.51 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2e9h h TYR 59 CO 0.00 -0.19 -0.03 -1.00 -1.05 0.00 0.00 178.16 175.89 2e9h h PRO 60 N -1.04 -0.07 -0.81 4.88 0.13 -1.74 -2.85 132.00 130.50 2e9h h PRO 60 Ca -0.05 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.23 2e9h h PRO 60 Cb 0.51 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.51 2e9h h PRO 60 CO 0.09 0.39 -0.30 1.15 -0.23 0.00 0.00 178.00 179.09 2e9h h THR 61 N -0.56 0.11 -0.55 1.56 2.02 -1.00 0.51 112.91 115.00 2e9h h THR 61 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2e9h h THR 61 Cb 0.49 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2e9h h THR 61 CO 0.01 0.00 0.14 0.50 0.37 0.00 0.00 175.52 176.54 2e9h h LYS 62 N -0.05 0.83 0.10 6.66 1.63 -1.61 -3.06 116.57 121.07 2e9h h LYS 62 Ca 0.33 -0.17 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2e9h h LYS 62 Cb 0.59 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.06 2e9h h LYS 62 CO -0.85 0.75 -0.28 -0.92 -3.45 0.00 0.00 179.45 174.70 2e9h h TYR 63 N 0.80 -0.76 -0.82 1.91 3.20 0.22 -2.62 116.97 118.91 2e9h h TYR 63 Ca 0.18 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.20 2e9h h TYR 63 Cb 0.29 0.32 -0.14 0.00 1.54 0.00 0.00 36.73 38.74 2e9h h TYR 63 CO 0.02 -0.39 -0.37 0.74 -1.64 0.00 0.00 178.16 176.52 2e9h h PHE 64 N -0.49 -1.03 -0.87 -3.82 0.04 -1.17 0.62 116.94 110.22 2e9h h PHE 64 Ca 0.03 0.09 0.18 0.00 2.80 0.00 0.00 57.97 61.07 2e9h h PHE 64 Cb 0.52 0.57 -0.07 0.00 2.20 0.00 0.00 35.95 39.18 2e9h h PHE 64 CO -0.26 -0.40 0.57 0.78 -0.60 0.00 0.00 178.31 178.40 2e9h h GLY 65 N -0.07 0.97 0.66 -1.45 0.00 -1.52 0.08 103.07 101.73 2e9h h GLY 65 Ca 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2e9h h GLY 65 CO -0.85 0.03 -0.32 0.00 0.00 0.00 0.00 176.54 175.40 2e9h h GLU 67 N -0.90 0.77 0.00 0.00 4.39 -1.14 -1.12 114.58 116.58 2e9h h GLU 67 Ca -0.09 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 2e9h h GLU 67 Cb 0.68 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2e9h h GLU 67 CO 0.15 0.51 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.01 2e9h h LEU 68 N 0.80 0.00 0.10 1.33 3.38 -0.94 -3.47 115.31 116.51 2e9h h LEU 68 Ca 0.33 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.13 2e9h h LEU 68 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 2e9h h LEU 68 CO -0.18 0.43 -0.24 0.61 0.09 0.00 0.00 178.44 179.15 2e9h n GLY 69 N 0.22 0.20 3.65 0.83 0.00 0.54 -5.04 105.19 105.58 2e9h n GLY 69 Ca -0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h s ALA 70 N -2.78 3.56 0.24 4.61 0.00 -0.42 -5.02 121.76 121.95 2e9h s ALA 70 Ca 0.12 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2e9h s ALA 70 Cb -0.05 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 2e9h s ALA 70 CO 0.15 -0.17 0.50 -1.14 0.00 0.00 0.00 175.76 175.10 2e9h s GLN 71 N -3.80 3.65 0.15 0.00 0.74 -1.26 -4.63 119.66 114.51 2e9h s GLN 71 Ca 0.14 -0.00 0.07 0.00 0.05 0.00 0.00 55.36 55.62 2e9h s GLN 71 Cb 0.02 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 2e9h s GLN 71 CO 0.09 0.30 -0.14 0.95 -0.55 0.00 0.00 175.29 175.93 2e9h s THR 72 N -1.94 1.48 -0.14 -0.34 -4.23 -1.26 -0.85 115.64 108.36 2e9h s THR 72 Ca 0.43 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2e9h s THR 72 Cb -0.11 -1.72 -0.00 0.00 1.34 0.00 0.00 72.50 72.01 2e9h s THR 72 CO 0.27 -0.47 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.13 2e9h s GLN 73 N -2.99 3.18 -0.30 3.99 0.74 -0.40 -4.99 119.66 118.89 2e9h s GLN 73 Ca 0.13 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 2e9h s GLN 73 Cb -0.03 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.57 2e9h s GLN 73 CO 0.04 0.08 0.04 -0.06 -0.55 0.00 0.00 175.29 174.84 2e9h s PHE 74 N 0.65 3.18 -0.53 1.67 0.40 -1.26 -2.64 117.98 119.44 2e9h s PHE 74 Ca -0.09 -1.39 0.04 0.00 -0.60 0.00 0.00 56.93 54.88 2e9h s PHE 74 Cb -0.16 -2.19 0.15 0.00 0.51 0.00 0.00 43.02 41.33 2e9h s PHE 74 CO 0.02 -0.69 0.34 -0.51 0.70 0.00 0.00 175.22 175.08 2e9h s ASP 75 N 1.39 3.68 0.33 1.36 1.11 -1.09 -4.95 116.67 118.49 2e9h s ASP 75 Ca -0.01 -3.15 0.01 0.00 0.18 0.00 0.00 52.55 49.58 2e9h s ASP 75 Cb -0.18 -1.18 0.56 0.00 1.07 0.00 0.00 42.92 43.19 2e9h s ASP 75 CO 0.00 -0.19 1.97 0.58 1.18 0.00 0.00 175.17 178.72 2e9h h VAL 76 N 4.88 1.18 -0.94 -1.27 2.07 -1.94 -0.43 116.25 119.80 2e9h h VAL 76 Ca 0.09 -0.41 0.21 0.00 0.82 0.00 0.00 66.70 67.40 2e9h h VAL 76 Cb 0.86 0.28 -0.18 0.00 -1.52 0.00 0.00 31.29 30.74 2e9h h VAL 76 CO 0.56 0.19 -0.14 0.50 0.02 0.00 0.00 177.57 178.70 2e9h h LYS 77 N 0.89 0.01 -0.19 1.57 3.64 -1.96 0.24 116.57 120.77 2e9h h LYS 77 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2e9h h LYS 77 Cb -0.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2e9h h LYS 77 CO -0.04 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.23 2e9h n ASN 78 N -5.55 3.48 -4.46 4.20 3.02 -1.06 -4.97 115.26 109.91 2e9h n ASN 78 Ca 0.17 -3.03 -0.40 0.00 -0.03 0.00 0.00 54.58 51.29 2e9h n ASN 78 Cb 0.55 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N -0.75 -1.10 -4.40 6.41 8.00 0.83 -4.90 116.55 120.64 2e9h n ASP 79 Ca 0.20 -1.25 -0.33 0.00 0.71 0.00 0.00 54.79 54.12 2e9h n ASP 79 Cb 0.82 -1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -7.23 3.47 -0.07 -1.24 1.70 -0.66 -4.88 118.95 110.05 2e9h s ARG 80 Ca 0.62 -0.63 0.05 0.00 -0.47 0.00 0.00 55.73 55.30 2e9h s ARG 80 Cb -0.36 -2.75 -0.01 0.00 -0.57 0.00 0.00 34.95 31.26 2e9h s ARG 80 CO 1.01 0.19 -0.22 0.71 -1.08 0.00 0.00 175.30 175.91 2e9h s TYR 81 N 0.44 2.51 -0.01 5.89 1.51 -1.26 -2.67 117.35 123.76 2e9h s TYR 81 Ca -0.08 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 2e9h s TYR 81 Cb -0.15 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 2e9h s TYR 81 CO 0.04 -0.18 -0.18 0.42 -1.11 0.00 0.00 175.55 174.55 2e9h s ILE 82 N -0.16 1.40 -0.28 2.71 1.01 -1.08 -3.28 121.20 121.52 2e9h s ILE 82 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2e9h s ILE 82 Cb -0.14 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.23 2e9h s ILE 82 CO 0.04 0.39 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 2e9h s VAL 83 N -0.42 2.32 0.24 2.92 1.01 0.74 -1.27 120.40 125.93 2e9h s VAL 83 Ca 0.07 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.99 2e9h s VAL 83 Cb -0.07 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.74 2e9h s VAL 83 CO -0.01 -0.16 1.18 0.59 0.00 0.00 0.00 175.10 176.70 2e9h n ASN 84 N 4.42 1.77 0.00 3.32 4.13 -0.03 -2.10 115.26 126.77 2e9h n ASN 84 Ca -0.10 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.32 2e9h n ASN 84 Cb 0.42 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 85 N 1.66 2.44 3.65 7.41 0.00 -1.25 -4.63 105.19 114.48 2e9h n GLY 85 Ca 0.11 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 2e9h n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 86 N 0.00 6.51 -0.06 1.61 1.04 -1.26 -1.85 113.70 119.68 2e9h s SER 86 Ca 0.00 0.61 -0.10 0.00 0.48 0.00 0.00 55.95 56.94 2e9h s SER 86 Cb 0.00 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2e9h s SER 86 CO 0.00 -0.20 0.25 -1.00 0.98 0.00 0.00 173.24 173.27 2e9h s HIS 87 N 1.79 -0.21 -0.01 5.02 3.76 -1.26 -5.00 115.29 119.37 2e9h s HIS 87 Ca 0.23 0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 55.51 2e9h s HIS 87 Cb -0.15 0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.56 2e9h s HIS 87 CO 0.09 -0.21 0.32 -1.83 -0.85 0.00 0.00 174.74 172.26 2e9h s GLU 88 N -0.39 3.71 0.27 1.40 -1.05 -1.26 -4.83 118.70 116.55 2e9h s GLU 88 Ca -0.05 0.15 -0.09 0.00 -0.15 0.00 0.00 54.97 54.83 2e9h s GLU 88 Cb -0.03 -3.15 0.42 0.00 -0.44 0.00 0.00 34.13 30.93 2e9h s GLU 88 CO 0.01 0.68 1.56 0.00 0.95 0.00 0.00 175.26 178.47 2e9h h ALA 89 N 4.46 0.59 -0.60 -0.84 0.00 -1.92 0.30 119.26 121.24 2e9h h ALA 89 Ca -0.52 0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.88 2e9h h ALA 89 Cb 1.21 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 19.66 2e9h h ALA 89 CO 0.62 -0.41 -0.25 -0.91 0.00 0.00 0.00 179.25 178.30 2e9h h ASN 90 N -0.00 -0.88 -0.13 0.00 2.35 -1.94 0.36 115.58 115.34 2e9h h ASN 90 Ca 0.46 0.21 0.01 0.00 -0.55 0.00 0.00 56.30 56.43 2e9h h ASN 90 Cb 0.70 0.49 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2e9h h ASN 90 CO -1.00 -0.27 0.04 0.50 -1.65 0.00 0.00 177.43 175.05 2e9h h LYS 91 N -0.10 0.09 -0.09 0.81 3.64 -0.84 -0.53 116.57 119.56 2e9h h LYS 91 Ca 0.27 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2e9h h LYS 91 Cb 0.52 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2e9h h LYS 91 CO -0.66 0.06 -0.32 -0.07 -2.27 0.00 0.00 179.45 176.19 2e9h h LEU 92 N 0.10 -0.97 -1.59 5.20 3.38 -0.35 0.54 115.31 121.61 2e9h h LEU 92 Ca 0.06 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2e9h h LEU 92 Cb 0.04 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2e9h h LEU 92 CO -0.06 -0.36 0.29 -0.61 0.09 0.00 0.00 178.44 177.79 2e9h h GLN 93 N -0.42 0.54 -0.24 1.13 5.75 -0.83 0.28 115.11 121.33 2e9h h GLN 93 Ca 0.08 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2e9h h GLN 93 Cb 0.55 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2e9h h GLN 93 CO -0.32 0.36 0.05 -0.44 -2.65 0.00 0.00 178.83 175.83 2e9h h ASP 94 N 0.56 0.36 0.16 -0.69 5.19 0.37 -2.54 116.42 119.83 2e9h h ASP 94 Ca 0.17 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2e9h h ASP 94 Cb -0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2e9h h ASP 94 CO -0.04 0.52 -0.08 0.24 -3.12 0.00 0.00 179.24 176.76 2e9h h MET 95 N 0.20 -0.21 -1.00 3.56 2.86 -0.42 -3.26 114.93 116.65 2e9h h MET 95 Ca 0.07 0.01 0.36 0.00 -2.06 0.00 0.00 59.70 58.09 2e9h h MET 95 Cb 0.30 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.85 2e9h h MET 95 CO 0.00 0.20 0.56 1.25 1.06 0.00 0.00 176.91 179.98 2e9h h LEU 96 N -0.89 0.43 -0.96 1.22 5.85 -0.54 0.28 115.31 120.71 2e9h h LEU 96 Ca -0.02 0.22 0.29 0.00 0.84 0.00 0.00 57.88 59.20 2e9h h LEU 96 Cb 0.51 0.19 -0.17 0.00 0.37 0.00 0.00 40.66 41.56 2e9h h LEU 96 CO 0.04 -0.26 0.18 -0.78 -0.34 0.00 0.00 178.44 177.27 2e9h h ASP 97 N 0.19 -0.20 -0.42 1.25 3.58 -1.49 0.36 116.42 119.68 2e9h h ASP 97 Ca 0.78 0.25 0.06 0.00 0.42 0.00 0.00 57.03 58.55 2e9h h ASP 97 Cb 1.91 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 43.29 2e9h h ASP 97 CO -0.67 -0.31 0.09 1.23 -2.88 0.00 0.00 179.24 176.69 2e9h h GLY 98 N 0.06 0.50 1.00 -0.78 0.00 -0.61 0.50 103.07 103.76 2e9h h GLY 98 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2e9h h GLY 98 CO -0.82 -0.04 0.43 -2.75 0.00 0.00 0.00 176.54 173.36 2e9h h PHE 99 N 0.22 0.86 0.00 5.60 3.04 -0.43 -0.61 116.94 125.62 2e9h h PHE 99 Ca 0.20 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2e9h h PHE 99 Cb 0.25 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.47 2e9h h PHE 99 CO -0.20 0.56 0.00 -0.89 -2.02 0.00 0.00 178.31 175.76 2e9h n ILE 100 N -4.59 0.31 -0.00 1.41 5.41 -0.82 -0.32 119.36 120.75 2e9h n ILE 100 Ca 0.06 0.08 -0.01 0.00 1.00 0.00 0.00 62.75 63.88 2e9h n ILE 100 Cb 0.03 -0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 38.15 2e9h n ILE 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2e9h n LYS 101 N -1.32 0.64 -0.08 0.38 0.00 0.11 -0.84 118.16 117.04 2e9h n LYS 101 Ca 0.10 0.12 -0.16 0.00 0.00 0.00 0.00 58.31 58.36 2e9h n LYS 101 Cb 0.19 -1.71 -0.05 0.00 0.00 0.00 0.00 35.03 33.46 2e9h n LYS 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2e9h n LYS 102 N -2.78 0.40 0.34 1.64 2.85 -0.81 -4.16 118.16 115.64 2e9h n LYS 102 Ca -0.14 0.17 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 2e9h n LYS 102 Cb 0.87 -1.18 -0.07 0.00 -0.65 0.00 0.00 35.03 34.01 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2e9h h PHE 103 N -0.70 -0.83 0.00 5.58 -1.00 -0.92 -3.40 116.94 115.67 2e9h h PHE 103 Ca -0.34 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2e9h h PHE 103 Cb 1.20 0.28 0.00 0.00 3.61 0.00 0.00 35.95 41.04 2e9h h PHE 103 CO -0.14 -0.52 0.00 0.28 -1.61 0.00 0.00 178.31 176.32 2e9h n VAL 104 N -5.01 0.00 -1.52 -0.55 0.31 -1.22 -4.85 118.33 105.49 2e9h n VAL 104 Ca -0.11 0.69 -0.36 0.00 -0.01 0.00 0.00 64.34 64.54 2e9h n VAL 104 Cb 0.35 -1.42 0.08 0.00 -0.91 0.00 0.00 33.84 31.95 2e9h n VAL 104 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2e9h n LEU 105 N -1.32 4.98 -4.79 7.52 4.77 -0.02 -4.40 117.00 123.73 2e9h n LEU 105 Ca 0.00 0.75 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 2e9h n LEU 105 Cb 0.00 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.53 2e9h n LEU 105 CO 0.00 -1.44 0.05 0.00 -1.33 0.00 0.00 177.39 174.68 2e9h n PRO 107 N 2.62 0.49 0.00 0.00 -0.04 -1.26 0.15 135.00 136.96 2e9h n PRO 107 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2e9h n PRO 107 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.77 0.00 -0.00 0.54 -0.58 -1.26 -4.85 120.64 113.71 2e9h n GLU 108 Ca 0.06 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 2e9h n GLU 108 Cb 0.03 -0.49 -0.07 0.00 -0.57 0.00 0.00 31.44 30.34 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -1.68 -6.09 -4.16 0.00 1.02 0.40 -4.83 120.64 105.30 2e9h n GLU 110 Ca -0.01 0.73 -0.35 0.00 -0.02 0.00 0.00 57.16 57.51 2e9h n GLU 110 Cb 0.23 -5.42 -0.09 0.00 -0.02 0.00 0.00 31.44 26.14 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2e9h s ASN 111 N -3.92 5.50 0.00 1.62 3.84 -1.26 -4.39 114.94 116.34 2e9h s ASN 111 Ca 0.15 0.14 0.16 0.00 0.21 0.00 0.00 52.86 53.51 2e9h s ASN 111 Cb -0.06 -1.78 0.93 0.00 -0.55 0.00 0.00 41.25 39.78 2e9h s ASN 111 CO 0.63 0.28 1.36 -0.81 -2.79 0.00 0.00 177.10 175.77 2e9h n PRO 112 N 2.81 0.48 -3.49 0.43 -0.04 -1.26 -3.01 135.00 130.91 2e9h n PRO 112 Ca -0.18 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2e9h n PRO 112 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.03 3.42 0.39 0.54 0.41 -1.26 -4.83 118.70 115.34 2e9h s GLU 113 Ca 0.23 -2.84 0.05 0.00 -0.41 0.00 0.00 54.97 52.00 2e9h s GLU 113 Cb 0.11 -4.19 -0.02 0.00 -1.78 0.00 0.00 34.13 28.25 2e9h s GLU 113 CO 0.18 -1.25 0.17 0.95 -0.49 0.00 0.00 175.26 174.83 2e9h s THR 114 N -0.56 0.42 0.10 3.63 -4.23 -1.26 -4.63 115.64 109.10 2e9h s THR 114 Ca 0.23 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2e9h s THR 114 Cb -0.12 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2e9h s THR 114 CO -0.08 0.00 -0.11 -1.81 -0.54 0.00 0.00 174.62 172.08 2e9h s ASP 115 N -3.54 1.54 0.07 3.99 1.11 -1.19 -5.05 116.67 113.60 2e9h s ASP 115 Ca 0.28 -0.82 0.08 0.00 0.18 0.00 0.00 52.55 52.27 2e9h s ASP 115 Cb 0.02 -0.00 -0.03 0.00 1.07 0.00 0.00 42.92 43.98 2e9h s ASP 115 CO 0.18 -0.25 -0.23 -0.76 1.18 0.00 0.00 175.17 175.29 2e9h s LEU 116 N -2.48 2.21 -0.03 1.23 1.43 -1.26 -2.49 118.68 117.30 2e9h s LEU 116 Ca 0.06 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2e9h s LEU 116 Cb -0.03 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 2e9h s LEU 116 CO 0.00 0.17 -0.14 -1.00 0.23 0.00 0.00 176.35 175.61 2e9h s HIS 117 N -0.90 1.40 -0.01 0.29 3.76 0.15 -4.98 115.29 115.00 2e9h s HIS 117 Ca 0.09 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2e9h s HIS 117 Cb -0.09 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 2e9h s HIS 117 CO 0.03 -0.11 -0.09 0.54 -0.85 0.00 0.00 174.74 174.26 2e9h s VAL 118 N -0.03 3.51 -0.24 -0.90 0.11 -1.26 -1.69 120.40 119.90 2e9h s VAL 118 Ca -0.01 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2e9h s VAL 118 Cb -0.09 -2.49 0.07 0.00 -1.53 0.00 0.00 36.38 32.34 2e9h s VAL 118 CO 0.01 0.44 0.03 0.20 -3.33 0.00 0.00 175.10 172.45 2e9h s ASN 119 N -1.27 3.46 0.10 3.54 -0.87 -1.00 -5.01 114.94 113.90 2e9h s ASN 119 Ca 0.16 -1.15 -0.15 0.00 -1.57 0.00 0.00 52.86 50.15 2e9h s ASN 119 Cb -0.11 -0.82 -0.09 0.00 -0.02 0.00 0.00 41.25 40.22 2e9h s ASN 119 CO 0.06 -0.32 1.42 1.55 -2.57 0.00 0.00 177.10 177.24 2e9h h PRO 120 N 8.13 0.69 0.28 -0.60 0.13 -1.92 0.13 132.00 138.85 2e9h h PRO 120 Ca -0.16 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2e9h h PRO 120 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2e9h h PRO 120 CO 0.39 0.98 -0.14 0.87 -0.23 0.00 0.00 178.00 179.87 2e9h h LYS 121 N 0.43 -0.37 0.00 0.86 1.79 -1.97 -3.10 116.57 114.21 2e9h h LYS 121 Ca 0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2e9h h LYS 121 Cb 0.85 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2e9h h LYS 121 CO 0.07 -0.25 0.00 1.63 -1.08 0.00 0.00 179.45 179.82 2e9h n LYS 122 N -3.34 0.13 -3.89 3.15 4.01 -1.26 -4.87 118.16 112.09 2e9h n LYS 122 Ca -0.05 0.47 -0.27 0.00 -0.51 0.00 0.00 58.31 57.95 2e9h n LYS 122 Cb 0.15 -1.81 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2e9h n GLN 123 N -2.07 -4.50 -4.04 1.97 1.13 0.43 -4.97 117.38 105.33 2e9h n GLN 123 Ca 0.01 0.53 -0.11 0.00 -1.94 0.00 0.00 57.00 55.50 2e9h n GLN 123 Cb 0.14 -5.11 -0.11 0.00 0.11 0.00 0.00 30.24 25.28 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.58 0.35 -0.04 5.09 -4.23 -1.01 -5.00 115.64 107.21 2e9h s THR 124 Ca 0.30 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2e9h s THR 124 Cb -0.15 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 2e9h s THR 124 CO 0.85 -0.54 0.04 -0.63 -0.54 0.00 0.00 174.62 173.80 2e9h s ILE 125 N -1.89 4.50 0.01 2.99 1.01 -1.26 -2.37 121.20 124.18 2e9h s ILE 125 Ca -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2e9h s ILE 125 Cb -0.07 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2e9h s ILE 125 CO -0.02 0.47 0.00 -0.83 0.00 0.00 0.00 174.94 174.56 2e9h s GLY 126 N -1.34 0.14 0.13 6.18 0.00 -0.68 -1.11 107.32 110.65 2e9h s GLY 126 Ca 0.18 -0.35 0.09 0.00 0.00 0.00 0.00 44.72 44.64 2e9h s GLY 126 CO 0.08 -0.41 -0.19 0.54 0.00 0.00 0.00 173.10 173.13 2e9h s ASN 127 N -1.00 3.82 -0.14 1.64 4.22 -1.08 0.31 114.94 122.71 2e9h s ASN 127 Ca -0.11 -0.61 -0.04 0.00 -2.14 0.00 0.00 52.86 49.96 2e9h s ASN 127 Cb -0.07 -0.50 0.05 0.00 1.28 0.00 0.00 41.25 42.02 2e9h s ASN 127 CO -0.00 0.16 0.06 -0.94 -2.04 0.00 0.00 177.10 174.34 2e9h s SER 128 N -2.26 2.19 0.12 3.54 1.04 -1.04 -2.94 113.70 114.35 2e9h s SER 128 Ca 0.18 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2e9h s SER 128 Cb -0.10 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2e9h s SER 128 CO 0.10 -0.31 0.26 0.00 0.98 0.00 0.00 173.24 174.28 2e9h n LYS 130 N -0.20 0.60 -0.37 0.00 5.02 -1.26 -3.16 118.16 118.79 2e9h n LYS 130 Ca -0.06 0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 2e9h n LYS 130 Cb 0.53 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h h ALA 131 N 0.07 -0.11 0.00 7.82 0.00 -1.96 -3.19 119.26 121.89 2e9h h ALA 131 Ca -0.33 0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2e9h h ALA 131 Cb 1.53 1.12 -0.04 0.00 0.00 0.00 0.00 17.79 20.40 2e9h h ALA 131 CO -0.04 -0.75 -1.86 0.00 0.00 0.00 0.00 179.25 176.59 2e9h n GLY 133 N 2.53 0.76 3.53 0.00 0.00 -1.21 -5.10 105.19 105.70 2e9h n GLY 133 Ca -0.24 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -1.52 3.16 -0.13 1.61 6.14 -1.19 -4.92 117.35 120.49 2e9h s TYR 134 Ca 0.00 -0.17 -0.00 0.00 0.64 0.00 0.00 57.07 57.54 2e9h s TYR 134 Cb 0.00 -2.22 0.03 0.00 0.42 0.00 0.00 41.96 40.19 2e9h s TYR 134 CO 0.00 -0.17 -0.08 1.03 0.64 0.00 0.00 175.55 176.97 2e9h s ARG 135 N 1.29 1.61 0.00 4.97 3.00 -1.26 -1.33 118.95 127.23 2e9h s ARG 135 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 55.73 55.43 2e9h s ARG 135 Cb -0.15 -1.76 0.00 0.00 0.00 0.00 0.00 34.95 33.05 2e9h s ARG 135 CO 0.04 -0.30 0.00 0.41 0.00 0.00 0.00 175.30 175.45 2e9h n GLY 136 N 4.90 2.46 3.33 -3.53 0.00 -1.15 -5.05 105.19 106.15 2e9h n GLY 136 Ca -0.13 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2e9h n GLY 136 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 137 N 0.96 3.33 0.24 1.61 0.23 -1.26 -2.63 119.30 121.77 2e9h s MET 137 Ca 0.00 -0.70 -0.30 0.00 -1.03 0.00 0.00 55.69 53.67 2e9h s MET 137 Cb 0.00 -2.68 -0.09 0.00 -1.53 0.00 0.00 34.83 30.52 2e9h s MET 137 CO 0.00 0.09 1.30 -0.51 -2.03 0.00 0.00 175.02 173.87 2e9h s LEU 138 N 0.67 4.43 -1.20 0.18 1.43 -0.27 -4.93 118.68 118.99 2e9h s LEU 138 Ca -0.06 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.41 2e9h s LEU 138 Cb -0.15 -3.62 0.21 0.00 0.03 0.00 0.00 46.19 42.65 2e9h s LEU 138 CO 0.02 -0.51 1.53 -0.90 0.23 0.00 0.00 176.35 176.73 2e9h n ASP 139 N 2.09 5.42 -4.61 2.29 5.75 -1.26 -4.65 116.55 121.57 2e9h n ASP 139 Ca 0.04 -3.10 -0.38 0.00 -0.01 0.00 0.00 54.79 51.34 2e9h n ASP 139 Cb 0.42 -1.46 -0.10 0.00 -1.03 0.00 0.00 41.12 38.95 2e9h n ASP 139 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2e9h s THR 140 N 0.06 5.26 0.02 2.12 2.01 -1.26 -5.03 115.64 118.81 2e9h s THR 140 Ca 0.38 0.35 -0.38 0.00 0.31 0.00 0.00 61.69 62.35 2e9h s THR 140 Cb 0.01 -3.60 -0.18 0.00 0.01 0.00 0.00 72.50 68.74 2e9h s THR 140 CO 0.01 0.23 1.28 0.00 -0.69 0.00 0.00 174.62 175.44 2e9h n HIS 141 N 5.03 1.24 -0.31 4.92 1.44 -1.26 -4.15 115.22 122.13 2e9h n HIS 141 Ca -0.12 0.80 0.14 0.00 -2.01 0.00 0.00 57.72 56.53 2e9h n HIS 141 Cb 0.51 -2.25 0.27 0.00 0.12 0.00 0.00 29.99 28.64 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2e9h n HIS 142 N 2.37 0.58 -0.33 -1.40 8.25 -1.26 0.66 115.22 124.09 2e9h n HIS 142 Ca 0.20 1.09 0.17 0.00 -0.26 0.00 0.00 57.72 58.92 2e9h n HIS 142 Cb 0.14 -1.18 0.33 0.00 1.12 0.00 0.00 29.99 30.40 2e9h n HIS 142 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e9h n LYS 143 N -5.33 -0.07 -0.10 -0.41 4.01 -1.26 -0.78 118.16 114.21 2e9h n LYS 143 Ca 0.21 1.42 -0.24 0.00 -0.51 0.00 0.00 58.31 59.19 2e9h n LYS 143 Cb 0.70 -2.30 -0.11 0.00 -0.51 0.00 0.00 35.03 32.81 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2e9h n LEU 144 N -5.38 2.12 -0.38 -0.35 7.94 0.21 -4.28 117.00 116.88 2e9h n LEU 144 Ca 0.25 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 2e9h n LEU 144 Cb 0.83 -0.94 0.06 0.00 0.53 0.00 0.00 43.42 43.90 2e9h n LEU 144 CO -0.06 0.53 0.60 0.00 -1.11 0.00 0.00 177.39 177.35 2e9h h THR 146 N -0.00 0.53 0.21 0.00 1.03 -1.17 -1.02 112.91 112.49 2e9h h THR 146 Ca 0.38 -0.01 0.01 0.00 -0.01 0.00 0.00 66.41 66.77 2e9h h THR 146 Cb 0.63 0.51 -0.02 0.00 -1.07 0.00 0.00 68.15 68.19 2e9h h THR 146 CO -1.00 0.00 -0.23 0.15 -0.01 0.00 0.00 175.52 174.43 2e9h h PHE 147 N 0.02 -0.61 -0.57 0.00 3.04 -0.48 -1.57 116.94 116.76 2e9h h PHE 147 Ca 0.24 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.31 2e9h h PHE 147 Cb 0.37 0.24 -0.10 0.00 2.56 0.00 0.00 35.95 39.02 2e9h h PHE 147 CO -0.40 -0.34 -0.06 0.82 -2.02 0.00 0.00 178.31 176.32 2e9h h ILE 148 N -0.49 0.49 0.10 1.41 2.04 -0.57 -1.15 117.51 119.35 2e9h h ILE 148 Ca 0.00 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2e9h h ILE 148 Cb 0.46 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2e9h h ILE 148 CO -0.06 0.01 -0.19 -0.07 0.00 0.00 0.00 178.15 177.84 2e9h h LEU 149 N 0.07 -0.52 -0.44 1.44 3.38 -0.90 -2.75 115.31 115.60 2e9h h LEU 149 Ca 0.29 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.41 2e9h h LEU 149 Cb 0.45 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2e9h h LEU 149 CO -0.53 -0.27 -0.17 0.11 0.09 0.00 0.00 178.44 177.67 2e9h h LYS 150 N -0.36 -0.08 -4.55 1.13 1.79 -0.40 -3.33 116.57 110.77 2e9h h LYS 150 Ca 0.03 0.01 -0.69 0.00 -2.18 0.00 0.00 60.65 57.82 2e9h h LYS 150 Cb 0.38 0.02 -0.36 0.00 -1.58 0.00 0.00 32.23 30.69 2e9h h LYS 150 CO -0.10 -0.05 -0.60 0.54 -1.08 0.00 0.00 179.45 178.16 2e9h s ASN 151 N -5.17 5.12 1.01 0.86 2.20 -0.52 -5.10 114.94 113.35 2e9h s ASN 151 Ca -0.14 -2.04 -0.13 0.00 -0.94 0.00 0.00 52.86 49.61 2e9h s ASN 151 Cb 0.15 -1.77 0.20 0.00 -2.00 0.00 0.00 41.25 37.83 2e9h s ASN 151 CO 0.71 -0.49 1.09 -2.16 -2.94 0.00 0.00 177.10 173.31 2e9h s PRO 152 N 1.08 0.30 -0.03 3.55 0.04 -1.18 -4.60 135.00 134.17 2e9h s PRO 152 Ca 0.08 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 2e9h s PRO 152 Cb -0.22 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2e9h s PRO 152 CO -0.05 -2.81 1.47 -1.25 0.04 0.00 0.00 177.00 174.40 2e9h s PRO 153 N -4.96 4.24 -0.46 0.56 0.04 -1.26 -4.93 135.00 128.23 2e9h s PRO 153 Ca 0.66 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.75 2e9h s PRO 153 Cb -0.19 -3.71 0.44 0.00 0.04 0.00 0.00 34.50 31.09 2e9h s PRO 153 CO 0.58 -0.68 1.48 0.39 0.04 0.00 0.00 177.00 178.81 2e9h n GLU 154 N 6.01 3.27 -2.98 4.56 4.71 -1.26 -5.02 120.64 129.93 2e9h n GLU 154 Ca 0.15 -3.93 -0.40 0.00 -0.01 0.00 0.00 57.16 52.97 2e9h n GLU 154 Cb 0.43 -2.28 -0.05 0.00 -1.01 0.00 0.00 31.44 28.54 2e9h n GLU 154 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2e9h s ASN 155 N -2.91 7.13 0.24 1.62 3.84 -1.26 -4.96 114.94 118.65 2e9h s ASN 155 Ca 0.54 1.36 -0.14 0.00 0.21 0.00 0.00 52.86 54.84 2e9h s ASN 155 Cb 0.44 -2.46 0.32 0.00 -0.55 0.00 0.00 41.25 39.00 2e9h s ASN 155 CO -0.05 -0.07 1.56 -1.28 -2.79 0.00 0.00 177.10 174.48 2e9h h SER 156 N 6.27 -1.15 -0.01 -4.21 0.87 -1.98 -3.54 113.55 109.79 2e9h h SER 156 Ca -0.42 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2e9h h SER 156 Cb 1.20 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2e9h h SER 156 CO 0.73 -0.30 0.00 -0.90 -0.53 0.00 0.00 176.83 175.83