#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 6.40 -1.23 1.61 1.04 -1.26 -5.01 113.70 115.25 2e9h s SER 2 Ca 0.00 0.49 -0.18 0.00 0.48 0.00 0.00 55.95 56.74 2e9h s SER 2 Cb 0.00 -2.05 0.08 0.00 0.10 0.00 0.00 66.02 64.15 2e9h s SER 2 CO 0.00 -0.10 1.63 -0.44 0.98 0.00 0.00 173.24 175.31 2e9h s SER 3 N -3.22 6.80 -1.55 7.02 0.01 -1.26 -4.47 113.70 117.03 2e9h s SER 3 Ca 0.40 -2.32 -0.03 0.00 1.31 0.00 0.00 55.95 55.30 2e9h s SER 3 Cb -0.11 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.60 2e9h s SER 3 CO 0.30 -1.18 0.08 0.61 0.41 0.00 0.00 173.24 173.46 2e9h n GLY 4 N 5.52 -0.15 3.32 3.44 0.00 -1.26 -4.85 105.19 111.21 2e9h n GLY 4 Ca 0.44 0.16 -0.46 0.00 0.00 0.00 0.00 46.02 46.16 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9h s SER 5 N -4.18 6.86 -0.30 1.61 0.01 -1.26 -4.96 113.70 111.49 2e9h s SER 5 Ca 0.12 -2.93 -0.12 0.00 1.31 0.00 0.00 55.95 54.32 2e9h s SER 5 Cb -0.07 -2.20 0.14 0.00 0.21 0.00 0.00 66.02 64.10 2e9h s SER 5 CO 0.97 -0.49 0.77 -0.94 0.41 0.00 0.00 173.24 173.96 2e9h s SER 6 N 1.89 -0.93 -0.35 2.44 1.04 -1.26 -5.06 113.70 111.48 2e9h s SER 6 Ca 0.21 1.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.87 2e9h s SER 6 Cb -0.10 1.98 0.20 0.00 0.10 0.00 0.00 66.02 68.20 2e9h s SER 6 CO -0.09 -0.18 1.05 -0.83 0.98 0.00 0.00 173.24 174.17 2e9h s GLY 7 N 2.58 -1.75 0.09 7.32 0.00 -1.26 -5.16 107.32 109.14 2e9h s GLY 7 Ca -0.05 0.77 0.09 0.00 0.00 0.00 0.00 44.72 45.53 2e9h s GLY 7 CO -0.18 4.26 -0.22 -3.16 0.00 0.00 0.00 173.10 173.80 2e9h s MET 8 N 1.33 1.76 0.17 2.90 0.00 -1.26 -5.14 119.30 119.06 2e9h s MET 8 Ca 0.21 -1.16 0.09 0.00 0.00 0.00 0.00 55.69 54.82 2e9h s MET 8 Cb 0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 34.83 32.82 2e9h s MET 8 CO -0.12 0.49 -0.10 -1.12 0.00 0.00 0.00 175.02 174.18 2e9h s SER 9 N -1.80 4.24 0.30 -1.18 0.01 -1.26 -4.40 113.70 109.61 2e9h s SER 9 Ca 0.15 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.91 2e9h s SER 9 Cb -0.10 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2e9h s SER 9 CO 0.07 0.11 0.39 0.68 0.41 0.00 0.00 173.24 174.89 2e9h s VAL 10 N -1.65 4.37 0.24 3.43 -7.23 -0.36 -4.83 120.40 114.38 2e9h s VAL 10 Ca 0.24 -1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 59.02 2e9h s VAL 10 Cb -0.09 -3.51 -0.11 0.00 0.56 0.00 0.00 36.38 33.23 2e9h s VAL 10 CO 0.15 -0.23 1.61 0.20 -0.31 0.00 0.00 175.10 176.52 2e9h s ASN 11 N -4.06 6.44 0.14 4.85 -0.87 -1.26 -1.22 114.94 118.96 2e9h s ASN 11 Ca 0.40 2.84 -0.18 0.00 -1.57 0.00 0.00 52.86 54.35 2e9h s ASN 11 Cb -0.09 -2.62 0.05 0.00 -0.02 0.00 0.00 41.25 38.58 2e9h s ASN 11 CO 0.29 -0.89 1.10 0.52 -2.57 0.00 0.00 177.10 175.55 2e9h n VAL 12 N 3.08 -0.44 -2.54 1.60 0.31 -1.24 -4.24 118.33 114.87 2e9h n VAL 12 Ca 0.11 1.71 -0.39 0.00 -0.01 0.00 0.00 64.34 65.76 2e9h n VAL 12 Cb 0.37 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.09 2e9h n VAL 12 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2e9h s ASN 13 N -5.31 7.17 -0.26 4.52 3.84 -1.26 -4.94 114.94 118.69 2e9h s ASN 13 Ca -0.09 2.15 0.04 0.00 0.21 0.00 0.00 52.86 55.16 2e9h s ASN 13 Cb 0.11 -2.61 0.44 0.00 -0.55 0.00 0.00 41.25 38.64 2e9h s ASN 13 CO 0.47 -0.21 1.54 0.54 -2.79 0.00 0.00 177.10 176.66 2e9h n ARG 14 N 0.84 2.06 0.00 0.43 5.12 -1.26 -3.90 116.66 119.95 2e9h n ARG 14 Ca 0.01 -1.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.00 2e9h n ARG 14 Cb 0.47 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 2e9h n ARG 14 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2e9h n SER 15 N -0.40 3.40 -4.67 0.55 7.64 -1.26 -5.03 113.62 113.85 2e9h n SER 15 Ca 0.35 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.86 2e9h n SER 15 Cb 1.19 0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 64.58 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e9h s VAL 16 N -1.71 5.28 -0.41 0.44 0.11 -1.25 -4.99 120.40 117.87 2e9h s VAL 16 Ca 0.00 0.47 0.06 0.00 -2.93 0.00 0.00 61.98 59.58 2e9h s VAL 16 Cb 0.00 -3.62 0.43 0.00 -1.53 0.00 0.00 36.38 31.66 2e9h s VAL 16 CO 0.00 0.31 1.12 -0.24 -3.33 0.00 0.00 175.10 172.95 2e9h n SER 17 N 4.28 4.53 -4.80 3.54 2.88 -1.26 -4.66 113.62 118.13 2e9h n SER 17 Ca -0.12 -3.65 -0.29 0.00 -1.33 0.00 0.00 58.87 53.49 2e9h n SER 17 Cb 0.52 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.48 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 -3.53 4.34 -0.55 -3.46 1.01 -1.26 -5.04 116.67 108.18 2e9h s ASP 18 Ca 0.47 -1.39 0.01 0.00 0.71 0.00 0.00 52.55 52.35 2e9h s ASP 18 Cb 0.40 0.25 0.55 0.00 1.01 0.00 0.00 42.92 45.13 2e9h s ASP 18 CO -0.14 -0.86 1.94 0.00 0.21 0.00 0.00 175.17 176.32 2e9h n GLN 19 N -1.41 2.49 -0.09 8.23 10.64 -1.26 -4.33 117.38 131.65 2e9h n GLN 19 Ca -0.09 -3.19 -0.12 0.00 -1.83 0.00 0.00 57.00 51.77 2e9h n GLN 19 Cb 0.66 -2.22 -0.08 0.00 -0.86 0.00 0.00 30.24 27.73 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2e9h n PHE 20 N -1.02 0.00 -1.55 2.61 3.72 -1.26 -4.91 117.46 115.05 2e9h n PHE 20 Ca 0.60 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.63 2e9h n PHE 20 Cb 1.12 -0.67 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 2e9h n PHE 20 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2e9h n TYR 21 N -2.99 1.45 0.04 1.38 4.19 -1.26 -4.86 117.16 115.11 2e9h n TYR 21 Ca -0.31 0.11 -0.02 0.00 3.31 0.00 0.00 57.90 60.99 2e9h n TYR 21 Cb 0.83 -2.64 -0.01 0.00 0.49 0.00 0.00 39.34 38.01 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 18.84 -0.12 -6.77 2.98 1.12 -1.96 -3.42 114.38 125.05 2e9h h ARG 22 Ca -0.25 0.01 -0.56 0.00 -1.11 0.00 0.00 59.98 58.07 2e9h h ARG 22 Cb 1.27 0.03 0.10 0.00 -0.01 0.00 0.00 29.97 31.35 2e9h h ARG 22 CO 1.15 -0.08 0.70 0.66 -3.11 0.00 0.00 179.97 179.28 2e9h n TYR 23 N -2.68 2.57 -3.96 2.20 4.01 -1.26 -5.00 117.16 113.04 2e9h n TYR 23 Ca -0.02 0.42 -0.08 0.00 -0.16 0.00 0.00 57.90 58.06 2e9h n TYR 23 Cb 0.06 -2.50 -0.08 0.00 -0.31 0.00 0.00 39.34 36.50 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 -1.19 0.83 -0.02 -0.72 1.02 -1.26 -3.59 119.74 114.80 2e9h s LYS 24 Ca 0.60 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2e9h s LYS 24 Cb -0.55 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2e9h s LYS 24 CO 0.56 -0.25 -0.03 0.00 -0.92 0.00 0.00 175.35 174.71 2e9h s MET 25 N -3.91 0.46 -0.30 1.68 0.23 -0.35 -4.84 119.30 112.27 2e9h s MET 25 Ca 0.09 -0.08 -0.29 0.00 -1.03 0.00 0.00 55.69 54.38 2e9h s MET 25 Cb 0.06 -0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 32.83 2e9h s MET 25 CO -0.08 -0.01 1.67 -1.25 -2.03 0.00 0.00 175.02 173.32 2e9h s PRO 26 N 0.45 3.56 0.05 3.16 0.04 -1.26 -1.22 135.00 139.78 2e9h s PRO 26 Ca -0.05 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 2e9h s PRO 26 Cb -0.08 -4.10 -0.11 0.00 0.04 0.00 0.00 34.50 30.25 2e9h s PRO 26 CO -0.01 -1.58 0.46 0.54 0.04 0.00 0.00 177.00 176.46 2e9h n ARG 27 N 8.06 0.00 -2.37 4.56 3.00 -1.26 -4.72 116.66 123.93 2e9h n ARG 27 Ca 0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.63 2e9h n ARG 27 Cb 0.46 -0.72 -0.03 0.00 0.00 0.00 0.00 32.46 32.17 2e9h n ARG 27 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2e9h s LEU 28 N 0.82 4.46 -0.10 0.55 0.05 -1.26 -4.97 118.68 118.24 2e9h s LEU 28 Ca 0.45 2.27 -0.10 0.00 0.05 0.00 0.00 54.13 56.80 2e9h s LEU 28 Cb -0.63 -3.61 -0.05 0.00 -2.05 0.00 0.00 46.19 39.85 2e9h s LEU 28 CO 0.32 -0.35 0.24 -0.63 -0.55 0.00 0.00 176.35 175.38 2e9h s ILE 29 N -0.29 5.34 -0.11 1.48 1.01 -1.26 -4.87 121.20 122.49 2e9h s ILE 29 Ca 0.51 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.63 2e9h s ILE 29 Cb -0.33 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2e9h s ILE 29 CO 0.38 0.56 -0.23 0.00 0.00 0.00 0.00 174.94 175.66 2e9h s ALA 30 N -0.74 2.15 -0.14 9.38 0.00 -1.26 -1.94 121.76 129.22 2e9h s ALA 30 Ca 0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2e9h s ALA 30 Cb -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2e9h s ALA 30 CO 0.06 0.18 -0.03 0.21 0.00 0.00 0.00 175.76 176.18 2e9h s LYS 31 N 0.51 3.54 0.00 0.00 2.20 -0.83 -4.81 119.74 120.35 2e9h s LYS 31 Ca -0.15 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2e9h s LYS 31 Cb -0.17 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2e9h s LYS 31 CO 0.05 0.34 -0.10 0.08 -0.36 0.00 0.00 175.35 175.36 2e9h s VAL 32 N 0.11 0.80 0.01 4.02 1.01 -1.26 -0.63 120.40 124.47 2e9h s VAL 32 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2e9h s VAL 32 Cb -0.13 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2e9h s VAL 32 CO 0.03 0.16 -0.16 -1.61 0.00 0.00 0.00 175.10 173.52 2e9h s GLU 33 N -0.40 1.20 0.32 2.72 8.01 -1.26 -5.01 118.70 124.29 2e9h s GLU 33 Ca 0.03 -0.70 0.00 0.00 0.01 0.00 0.00 54.97 54.31 2e9h s GLU 33 Cb -0.05 -1.21 0.00 0.00 -4.31 0.00 0.00 34.13 28.56 2e9h s GLU 33 CO -0.00 0.32 0.00 0.41 0.01 0.00 0.00 175.26 176.00 2e9h n GLY 34 N 2.28 -1.06 2.78 -1.39 0.00 -1.26 -3.73 105.19 102.82 2e9h n GLY 34 Ca -0.16 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.53 0.21 0.00 1.61 -2.85 -1.26 -4.54 119.74 111.38 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 -1.04 0.00 0.00 -2.06 0.00 0.00 37.83 34.73 2e9h s LYS 35 CO 0.00 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.23 2e9h n GLY 36 N 5.33 2.99 2.18 0.59 0.00 -1.26 -4.80 105.19 110.22 2e9h n GLY 36 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2e9h n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e9h n ASN 37 N 0.10 5.78 0.00 1.61 3.02 -1.26 -4.71 115.26 119.80 2e9h n ASN 37 Ca 0.00 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 2e9h n ASN 37 Cb 0.00 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 38 N -1.00 1.86 3.69 7.41 0.00 -1.26 -4.99 105.19 110.90 2e9h n GLY 38 Ca 0.58 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 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 4.02 0.01 -0.61 2.07 -1.24 -4.83 121.20 118.62 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 38.70 2e9h s ILE 39 CO 0.00 0.00 0.01 -1.59 -1.91 0.00 0.00 174.94 171.45 2e9h s LYS 40 N 2.26 0.26 -0.49 3.50 -2.85 -1.26 -3.81 119.74 117.35 2e9h s LYS 40 Ca 0.59 -0.41 -0.19 0.00 -1.00 0.00 0.00 55.97 54.96 2e9h s LYS 40 Cb -0.28 0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.64 2e9h s LYS 40 CO 0.24 -0.05 0.62 0.99 0.10 0.00 0.00 175.35 177.25 2e9h s THR 41 N -1.07 4.87 -0.60 3.79 2.01 -0.95 -4.10 115.64 119.60 2e9h s THR 41 Ca -0.12 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 2e9h s THR 41 Cb -0.07 -4.28 0.15 0.00 0.01 0.00 0.00 72.50 68.31 2e9h s THR 41 CO -0.00 -0.76 0.57 -0.69 -0.69 0.00 0.00 174.62 173.04 2e9h s VAL 42 N 2.64 5.26 -0.80 3.82 1.01 0.20 -0.96 120.40 131.57 2e9h s VAL 42 Ca 0.16 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.23 2e9h s VAL 42 Cb -0.18 -4.38 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 2e9h s VAL 42 CO 0.13 -0.92 2.27 -0.63 0.00 0.00 0.00 175.10 175.95 2e9h s ILE 43 N 1.40 3.14 0.05 2.22 1.01 -1.15 -1.97 121.20 125.90 2e9h s ILE 43 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 2e9h s ILE 43 Cb -0.26 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 38.74 2e9h s ILE 43 CO 0.01 -0.30 1.45 0.58 0.00 0.00 0.00 174.94 176.68 2e9h h VAL 44 N 7.55 0.00 0.00 2.92 2.07 -1.69 -2.95 116.25 124.15 2e9h h VAL 44 Ca 0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2e9h h VAL 44 Cb 1.02 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2e9h h VAL 44 CO 1.07 0.00 -0.17 -3.20 0.02 0.00 0.00 177.57 175.30 2e9h n ASN 45 N -4.90 4.11 -0.06 0.57 5.15 -1.23 -4.29 115.26 114.61 2e9h n ASN 45 Ca -0.13 -2.24 -0.03 0.00 -0.60 0.00 0.00 54.58 51.58 2e9h n ASN 45 Cb 0.42 -1.08 -0.02 0.00 -0.53 0.00 0.00 39.78 38.57 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 3.37 0.00 -0.64 1.20 1.85 -1.82 -3.21 114.93 115.68 2e9h h MET 46 Ca 0.13 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.15 2e9h h MET 46 Cb 1.13 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.13 2e9h h MET 46 CO 0.25 0.17 0.13 0.28 -0.40 0.00 0.00 176.91 177.33 2e9h h VAL 47 N -1.00 1.26 0.03 -5.77 2.07 -1.85 -2.39 116.25 108.59 2e9h h VAL 47 Ca -0.01 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2e9h h VAL 47 Cb 0.24 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2e9h h VAL 47 CO -0.01 0.37 -0.04 0.44 0.02 0.00 0.00 177.57 178.35 2e9h h ASP 48 N 0.95 -0.11 -0.58 0.57 3.32 -1.85 -1.01 116.42 117.70 2e9h h ASP 48 Ca 0.20 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.37 2e9h h ASP 48 Cb 0.40 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 2e9h h ASP 48 CO 0.01 -0.05 -0.14 -0.37 -1.72 0.00 0.00 179.24 176.98 2e9h h VAL 49 N -0.07 0.42 -0.69 -1.35 -1.51 -1.62 -0.49 116.25 110.95 2e9h h VAL 49 Ca -0.00 -0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.61 2e9h h VAL 49 Cb 0.06 0.41 -0.12 0.00 -2.13 0.00 0.00 31.29 29.52 2e9h h VAL 49 CO -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.32 2e9h h ALA 50 N 1.58 0.68 -0.70 5.19 0.00 -1.25 0.79 119.26 125.54 2e9h h ALA 50 Ca 0.28 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.50 2e9h h ALA 50 Cb 0.43 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2e9h h ALA 50 CO -0.59 -0.41 0.34 0.87 0.00 0.00 0.00 179.25 179.46 2e9h h LYS 51 N 0.10 0.57 -1.00 0.00 1.57 0.30 -0.98 116.57 117.13 2e9h h LYS 51 Ca 0.36 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.23 2e9h h LYS 51 Cb 0.61 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 2e9h h LYS 51 CO -0.61 0.38 0.63 0.00 -0.57 0.00 0.00 179.45 179.28 2e9h h ALA 52 N 1.42 1.53 -0.08 3.86 0.00 -0.58 0.38 119.26 125.79 2e9h h ALA 52 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2e9h h ALA 52 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2e9h h ALA 52 CO -0.27 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.49 2e9h n LEU 53 N -4.61 0.50 -3.29 0.00 4.77 -0.43 -4.88 117.00 109.06 2e9h n LEU 53 Ca 0.19 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 2e9h n LEU 53 Cb 0.35 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2e9h n LEU 53 CO 0.28 0.12 0.02 0.59 -1.33 0.00 0.00 177.39 177.06 2e9h n ASN 54 N -0.33 -5.18 -3.83 -1.43 4.13 0.13 -4.97 115.26 103.79 2e9h n ASN 54 Ca 0.08 -0.40 -0.12 0.00 1.68 0.00 0.00 54.58 55.82 2e9h n ASN 54 Cb 0.11 -4.20 -0.09 0.00 -1.54 0.00 0.00 39.78 34.06 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2e9h s ARG 55 N -5.97 0.61 0.49 3.52 0.52 -0.86 -5.03 118.95 112.24 2e9h s ARG 55 Ca 0.40 -0.40 -0.22 0.00 -0.52 0.00 0.00 55.73 55.00 2e9h s ARG 55 Cb -0.20 0.26 -0.07 0.00 0.52 0.00 0.00 34.95 35.47 2e9h s ARG 55 CO 0.50 -0.16 1.15 -1.25 0.02 0.00 0.00 175.30 175.55 2e9h s PRO 56 N -1.73 3.60 0.07 3.54 0.04 -1.26 -3.71 135.00 135.55 2e9h s PRO 56 Ca -0.11 1.71 0.17 0.00 0.04 0.00 0.00 61.00 62.80 2e9h s PRO 56 Cb -0.05 -2.25 0.71 0.00 0.04 0.00 0.00 34.50 32.95 2e9h s PRO 56 CO 0.01 -0.67 1.52 -0.35 0.04 0.00 0.00 177.00 177.56 2e9h n PRO 57 N -0.81 0.05 0.23 0.56 -0.04 -1.26 -2.79 135.00 130.95 2e9h n PRO 57 Ca 0.09 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2e9h n PRO 57 Cb 0.49 -1.60 0.55 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.01 0.43 0.52 1.35 -1.96 0.28 112.91 114.55 2e9h h THR 58 Ca 0.00 -0.63 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 2e9h h THR 58 Cb 0.28 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2e9h h THR 58 CO 0.00 0.17 -0.21 1.88 -0.25 0.00 0.00 175.52 177.11 2e9h h TYR 59 N 0.00 -0.54 0.02 4.73 0.05 -1.92 -3.01 116.97 116.30 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 0.33 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2e9h h TYR 59 CO 0.00 -0.24 -0.01 -1.00 -1.05 0.00 0.00 178.16 175.86 2e9h h PRO 60 N -1.04 -0.02 -0.77 4.88 0.13 -1.73 -3.09 132.00 130.36 2e9h h PRO 60 Ca -0.06 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 2e9h h PRO 60 Cb 0.54 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.54 2e9h h PRO 60 CO 0.10 0.46 -0.06 1.15 -0.23 0.00 0.00 178.00 179.42 2e9h h THR 61 N -0.51 0.28 -0.84 1.56 2.02 -0.59 0.32 112.91 115.15 2e9h h THR 61 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2e9h h THR 61 Cb 0.49 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2e9h h THR 61 CO 0.00 0.01 0.54 0.11 0.37 0.00 0.00 175.52 176.55 2e9h h LYS 62 N 0.06 1.11 -0.64 6.66 1.79 -1.57 -2.54 116.57 121.44 2e9h h LYS 62 Ca 0.41 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2e9h h LYS 62 Cb 0.70 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2e9h h LYS 62 CO -0.73 0.75 0.39 -0.92 -1.08 0.00 0.00 179.45 177.87 2e9h h TYR 63 N 1.14 0.84 0.08 -1.35 3.20 -0.36 -0.73 116.97 119.79 2e9h h TYR 63 Ca 0.30 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2e9h h TYR 63 Cb -0.10 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 2e9h h TYR 63 CO -0.01 0.56 -0.27 0.74 -1.64 0.00 0.00 178.16 177.54 2e9h h PHE 64 N 0.87 -0.78 -0.47 -3.82 0.04 -0.69 0.19 116.94 112.28 2e9h h PHE 64 Ca 0.23 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.06 2e9h h PHE 64 Cb -0.04 0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2e9h h PHE 64 CO -0.02 -0.31 0.24 0.78 -0.60 0.00 0.00 178.31 178.40 2e9h h GLY 65 N -0.40 0.65 0.33 -1.45 0.00 -1.50 -0.41 103.07 100.28 2e9h h GLY 65 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.24 2e9h h GLY 65 CO -0.14 0.12 0.10 0.00 0.00 0.00 0.00 176.54 176.63 2e9h h GLU 67 N 0.24 0.16 0.00 0.00 5.08 -0.23 -2.82 114.58 117.00 2e9h h GLU 67 Ca 0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2e9h h GLU 67 Cb 0.35 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2e9h h GLU 67 CO -0.34 0.42 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.93 2e9h h LEU 68 N -0.11 0.00 1.19 1.33 3.38 -0.56 -3.46 115.31 117.08 2e9h h LEU 68 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2e9h h LEU 68 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2e9h h LEU 68 CO 0.00 0.09 -0.22 0.61 0.09 0.00 0.00 178.44 179.02 2e9h n GLY 69 N -0.26 0.04 3.78 0.83 0.00 0.41 -5.03 105.19 104.96 2e9h n GLY 69 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.42 4.07 0.65 4.61 0.00 -0.94 -5.03 121.76 122.70 2e9h s ALA 70 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 2e9h s ALA 70 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2e9h s ALA 70 CO 0.00 -0.14 1.05 -1.14 0.00 0.00 0.00 175.76 175.52 2e9h s GLN 71 N -3.96 3.21 0.01 0.00 0.74 -1.26 -4.62 119.66 113.77 2e9h s GLN 71 Ca 0.18 0.95 -0.04 0.00 0.05 0.00 0.00 55.36 56.50 2e9h s GLN 71 Cb 0.02 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 32.09 2e9h s GLN 71 CO 0.10 -0.88 0.07 0.95 -0.55 0.00 0.00 175.29 174.98 2e9h s THR 72 N -2.95 0.09 -0.12 -0.34 -4.23 -1.26 0.26 115.64 107.09 2e9h s THR 72 Ca 0.58 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 2e9h s THR 72 Cb -0.13 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 2e9h s THR 72 CO 0.50 -0.41 -0.16 -1.58 -0.54 0.00 0.00 174.62 172.43 2e9h s GLN 73 N -1.36 3.29 -0.26 3.99 0.74 0.72 -4.96 119.66 121.81 2e9h s GLN 73 Ca -0.15 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.54 2e9h s GLN 73 Cb -0.08 -2.54 0.06 0.00 1.10 0.00 0.00 33.01 31.56 2e9h s GLN 73 CO 0.01 0.20 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.81 2e9h s PHE 74 N 0.36 3.02 -0.35 1.67 0.40 -1.26 -2.06 117.98 119.75 2e9h s PHE 74 Ca -0.13 -2.21 0.01 0.00 -0.60 0.00 0.00 56.93 54.00 2e9h s PHE 74 Cb -0.17 -1.92 0.11 0.00 0.51 0.00 0.00 43.02 41.55 2e9h s PHE 74 CO 0.07 -0.85 0.12 0.34 0.70 0.00 0.00 175.22 175.59 2e9h s ASP 75 N 1.18 4.14 0.20 1.36 -1.08 -1.04 -4.98 116.67 116.45 2e9h s ASP 75 Ca -0.06 -2.04 -0.08 0.00 -0.52 0.00 0.00 52.55 49.86 2e9h s ASP 75 Cb -0.19 -1.12 0.13 0.00 -1.46 0.00 0.00 42.92 40.28 2e9h s ASP 75 CO -0.06 -0.37 1.72 0.58 0.52 0.00 0.00 175.17 177.56 2e9h h VAL 76 N 6.20 1.26 -0.66 1.11 2.07 -1.93 0.87 116.25 125.18 2e9h h VAL 76 Ca -0.08 -0.98 0.13 0.00 0.82 0.00 0.00 66.70 66.58 2e9h h VAL 76 Cb 0.99 0.54 -0.13 0.00 -1.52 0.00 0.00 31.29 31.18 2e9h h VAL 76 CO 0.49 0.38 -0.23 0.11 0.02 0.00 0.00 177.57 178.34 2e9h h LYS 77 N 1.07 -0.06 -0.36 1.57 1.57 -1.97 -0.50 116.57 117.88 2e9h h LYS 77 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2e9h h LYS 77 Cb 0.38 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2e9h h LYS 77 CO 0.00 -0.04 0.00 0.09 -0.57 0.00 0.00 179.45 178.93 2e9h n ASN 78 N -5.46 3.10 -3.00 0.86 3.02 -1.16 -4.96 115.26 107.67 2e9h n ASN 78 Ca 0.07 -1.90 -0.17 0.00 -0.03 0.00 0.00 54.58 52.55 2e9h n ASN 78 Cb 0.36 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.05 -3.27 -4.62 6.41 8.00 0.29 -4.90 116.55 119.51 2e9h n ASP 79 Ca 0.15 -0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 2e9h n ASP 79 Cb 0.49 -2.77 -0.09 0.00 -0.02 0.00 0.00 41.12 38.74 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 -5.61 4.04 -0.23 -1.24 1.70 -0.47 -4.79 118.95 112.35 2e9h s ARG 80 Ca 0.23 0.02 -0.02 0.00 -0.47 0.00 0.00 55.73 55.50 2e9h s ARG 80 Cb -0.13 -3.63 0.02 0.00 -0.57 0.00 0.00 34.95 30.64 2e9h s ARG 80 CO 0.29 -0.22 -0.08 0.71 -1.08 0.00 0.00 175.30 174.92 2e9h s TYR 81 N 1.88 3.01 0.00 5.89 1.51 -1.26 -2.51 117.35 125.87 2e9h s TYR 81 Ca 0.14 -1.47 0.03 0.00 -1.01 0.00 0.00 57.07 54.77 2e9h s TYR 81 Cb -0.16 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2e9h s TYR 81 CO 0.09 -0.71 -0.08 0.42 -1.11 0.00 0.00 175.55 174.17 2e9h s ILE 82 N 1.34 3.57 -0.33 2.71 1.01 -0.87 -2.94 121.20 125.69 2e9h s ILE 82 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2e9h s ILE 82 Cb -0.16 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.88 2e9h s ILE 82 CO -0.06 0.41 0.10 -0.69 0.00 0.00 0.00 174.94 174.70 2e9h s VAL 83 N -0.97 1.22 0.43 2.92 1.01 -0.13 -0.20 120.40 124.68 2e9h s VAL 83 Ca 0.16 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.25 2e9h s VAL 83 Cb -0.11 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.21 2e9h s VAL 83 CO 0.07 -0.67 0.25 0.59 0.00 0.00 0.00 175.10 175.33 2e9h n ASN 84 N 4.63 -2.18 0.00 3.32 4.13 0.14 -2.25 115.26 123.06 2e9h n ASN 84 Ca -0.00 0.82 0.00 0.00 1.68 0.00 0.00 54.58 57.08 2e9h n ASN 84 Cb 0.42 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 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 2.14 1.92 3.61 7.41 0.00 -1.25 -4.60 105.19 114.42 2e9h n GLY 85 Ca 0.11 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.12 6.75 -0.03 1.61 1.04 -1.26 -2.25 113.70 119.44 2e9h s SER 86 Ca 0.00 0.71 -0.00 0.00 0.48 0.00 0.00 55.95 57.14 2e9h s SER 86 Cb 0.00 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.66 2e9h s SER 86 CO 0.00 -0.88 0.04 -1.00 0.98 0.00 0.00 173.24 172.38 2e9h s HIS 87 N 3.56 0.02 0.56 5.02 3.76 -1.26 -5.02 115.29 121.94 2e9h s HIS 87 Ca 0.41 0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 55.37 2e9h s HIS 87 Cb -0.12 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 2e9h s HIS 87 CO 0.18 -0.11 0.97 -1.83 -0.85 0.00 0.00 174.74 173.10 2e9h s GLU 88 N 1.20 3.68 0.18 1.40 1.03 -1.26 -4.84 118.70 120.09 2e9h s GLU 88 Ca -0.08 0.69 -0.13 0.00 0.03 0.00 0.00 54.97 55.48 2e9h s GLU 88 Cb -0.13 -2.16 0.16 0.00 -0.80 0.00 0.00 34.13 31.20 2e9h s GLU 88 CO -0.03 -0.42 1.74 0.00 -1.33 0.00 0.00 175.26 175.22 2e9h h ALA 89 N 0.12 0.55 -0.67 -0.84 0.00 -1.89 -1.77 119.26 114.77 2e9h h ALA 89 Ca -0.45 0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.67 2e9h h ALA 89 Cb 1.19 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2e9h h ALA 89 CO 0.62 -0.26 0.15 -0.91 0.00 0.00 0.00 179.25 178.84 2e9h h ASN 90 N 0.29 -0.00 0.55 0.00 4.21 -1.93 -0.56 115.58 118.14 2e9h h ASN 90 Ca 0.23 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.84 2e9h h ASN 90 Cb 0.26 0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.64 2e9h h ASN 90 CO -0.26 -0.01 -0.26 0.50 -1.29 0.00 0.00 177.43 176.10 2e9h h LYS 91 N 0.26 -0.71 -0.76 0.81 3.64 -1.75 -2.48 116.57 115.59 2e9h h LYS 91 Ca 0.36 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.96 2e9h h LYS 91 Cb 0.58 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.43 2e9h h LYS 91 CO -0.46 -0.42 0.08 -0.07 -2.27 0.00 0.00 179.45 176.31 2e9h h LEU 92 N -0.87 -0.20 -1.76 5.20 3.38 -0.79 0.57 115.31 120.84 2e9h h LEU 92 Ca -0.08 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2e9h h LEU 92 Cb 0.62 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2e9h h LEU 92 CO 0.12 -0.13 0.16 1.56 0.09 0.00 0.00 178.44 180.24 2e9h h GLN 93 N 0.16 0.32 0.12 1.13 1.08 -1.01 0.11 115.11 117.03 2e9h h GLN 93 Ca 0.43 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.60 2e9h h GLN 93 Cb 0.76 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2e9h h GLN 93 CO -0.61 0.22 -0.06 0.22 -0.95 0.00 0.00 178.83 177.65 2e9h h ASP 94 N 0.33 -0.14 0.27 1.46 1.82 0.57 -1.99 116.42 118.75 2e9h h ASP 94 Ca 0.09 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 2e9h h ASP 94 Cb -0.04 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2e9h h ASP 94 CO -0.02 0.30 -0.13 0.24 -1.61 0.00 0.00 179.24 178.02 2e9h h MET 95 N -0.60 -0.35 -0.62 0.28 2.86 -0.98 -3.13 114.93 112.38 2e9h h MET 95 Ca -0.02 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 2e9h h MET 95 Cb 0.47 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.11 2e9h h MET 95 CO 0.03 -0.09 0.08 1.25 1.06 0.00 0.00 176.91 179.24 2e9h h LEU 96 N -0.59 -0.12 -0.69 1.22 5.85 -0.89 -2.32 115.31 117.78 2e9h h LEU 96 Ca -0.04 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2e9h h LEU 96 Cb 0.43 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 2e9h h LEU 96 CO 0.06 -0.05 -0.36 -0.67 -0.34 0.00 0.00 178.44 177.08 2e9h n ASP 97 N -5.20 -0.63 -0.33 1.25 2.03 -0.75 0.10 116.55 113.03 2e9h n ASP 97 Ca 0.10 1.22 0.07 0.00 0.52 0.00 0.00 54.79 56.69 2e9h n ASP 97 Cb 0.36 -0.20 0.17 0.00 -0.72 0.00 0.00 41.12 40.72 2e9h n ASP 97 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2e9h h GLY 98 N 0.00 0.82 0.97 0.27 0.00 -1.52 0.38 103.07 103.99 2e9h h GLY 98 Ca 0.16 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2e9h h GLY 98 CO -0.66 -0.39 0.22 -2.75 0.00 0.00 0.00 176.54 172.97 2e9h h PHE 99 N 0.01 0.58 0.00 5.60 3.04 0.52 -1.06 116.94 125.63 2e9h h PHE 99 Ca 0.48 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.41 2e9h h PHE 99 Cb 0.82 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.14 2e9h h PHE 99 CO -0.64 0.45 0.00 -0.89 -2.02 0.00 0.00 178.31 175.21 2e9h n ILE 100 N -4.71 0.00 -0.03 1.41 5.41 0.11 -0.16 119.36 121.40 2e9h n ILE 100 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2e9h n ILE 100 Cb 0.09 -0.53 -0.11 0.00 -0.71 0.00 0.00 39.64 38.38 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 -0.89 0.86 -0.07 0.38 3.00 0.36 -2.68 118.16 119.12 2e9h n LYS 101 Ca 0.13 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.31 58.22 2e9h n LYS 101 Cb 0.06 -1.35 -0.06 0.00 0.00 0.00 0.00 35.03 33.68 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 -2.17 0.34 0.00 1.64 2.85 -0.72 -4.37 118.16 115.73 2e9h n LYS 102 Ca -0.09 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2e9h n LYS 102 Cb 0.56 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 2e9h n LYS 102 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2e9h n PHE 103 N -3.32 0.00 0.05 5.58 3.72 0.78 -4.53 117.46 119.75 2e9h n PHE 103 Ca -0.28 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.10 2e9h n PHE 103 Cb 0.74 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2e9h n PHE 103 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2e9h h VAL 104 N 0.00 0.00 -4.11 -4.37 2.07 -1.74 -3.44 116.25 104.67 2e9h h VAL 104 Ca 0.00 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.04 2e9h h VAL 104 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 2e9h h VAL 104 CO 0.00 0.00 0.39 -0.76 0.02 0.00 0.00 177.57 177.22 2e9h s LEU 105 N -4.75 3.74 -0.02 2.57 1.43 -1.09 -4.25 118.68 116.31 2e9h s LEU 105 Ca -0.02 1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 54.83 2e9h s LEU 105 Cb 0.00 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2e9h s LEU 105 CO 0.07 -1.00 0.64 0.00 0.23 0.00 0.00 176.35 176.29 2e9h n PRO 107 N 3.03 0.49 -0.01 0.00 -0.04 -1.26 0.18 135.00 137.39 2e9h n PRO 107 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2e9h n PRO 107 Cb 0.51 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.73 0.10 -0.00 0.54 4.71 -1.26 -4.81 120.64 119.18 2e9h n GLU 108 Ca 0.05 0.04 0.07 0.00 -0.01 0.00 0.00 57.16 57.31 2e9h n GLU 108 Cb 0.02 -0.66 -0.09 0.00 -1.01 0.00 0.00 31.44 29.70 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2e9h n GLU 110 N -1.51 -6.57 -4.06 0.00 -0.58 0.48 -4.88 120.64 103.53 2e9h n GLU 110 Ca 0.01 0.72 -0.35 0.00 -0.42 0.00 0.00 57.16 57.12 2e9h n GLU 110 Cb 0.27 -5.40 -0.09 0.00 -0.57 0.00 0.00 31.44 25.64 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2e9h s ASN 111 N -3.22 5.70 0.00 1.62 3.84 -1.26 -4.48 114.94 117.14 2e9h s ASN 111 Ca 0.48 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.87 2e9h s ASN 111 Cb -0.21 -1.88 0.93 0.00 -0.55 0.00 0.00 41.25 39.53 2e9h s ASN 111 CO 0.59 0.26 1.34 -0.81 -2.79 0.00 0.00 177.10 175.70 2e9h n PRO 112 N 2.94 0.48 -3.27 0.43 -0.04 -1.26 -1.70 135.00 132.57 2e9h n PRO 112 Ca -0.18 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.83 2e9h n PRO 112 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.01 3.01 0.37 0.54 2.02 -1.26 -4.73 118.70 116.63 2e9h s GLU 113 Ca 0.23 -1.65 -0.10 0.00 0.02 0.00 0.00 54.97 53.47 2e9h s GLU 113 Cb 0.11 -4.30 0.03 0.00 0.10 0.00 0.00 34.13 30.07 2e9h s GLU 113 CO 0.18 -1.37 0.65 0.95 0.02 0.00 0.00 175.26 175.69 2e9h s THR 114 N 1.77 0.00 0.13 3.63 -4.23 -1.26 -4.61 115.64 111.07 2e9h s THR 114 Ca 0.05 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2e9h s THR 114 Cb -0.29 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2e9h s THR 114 CO 0.03 0.00 -0.02 -1.81 -0.54 0.00 0.00 174.62 172.28 2e9h s ASP 115 N -3.15 0.99 0.08 3.99 1.01 -0.92 -5.02 116.67 113.66 2e9h s ASP 115 Ca 0.22 -1.10 0.08 0.00 0.71 0.00 0.00 52.55 52.46 2e9h s ASP 115 Cb -0.03 0.14 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 2e9h s ASP 115 CO 0.16 -0.55 -0.20 -0.76 0.21 0.00 0.00 175.17 174.02 2e9h s LEU 116 N -3.08 2.25 0.05 1.23 1.43 -1.26 -1.75 118.68 117.55 2e9h s LEU 116 Ca 0.18 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2e9h s LEU 116 Cb 0.06 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2e9h s LEU 116 CO -0.01 0.08 -0.17 -1.00 0.23 0.00 0.00 176.35 175.48 2e9h s HIS 117 N -1.04 1.51 0.11 0.29 3.76 0.14 -4.96 115.29 115.10 2e9h s HIS 117 Ca 0.06 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.70 2e9h s HIS 117 Cb -0.10 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 2e9h s HIS 117 CO 0.03 0.08 -0.26 0.54 -0.85 0.00 0.00 174.74 174.29 2e9h s VAL 118 N -0.90 2.13 -0.17 -0.90 0.11 -1.26 -2.39 120.40 117.01 2e9h s VAL 118 Ca 0.04 -1.66 -0.02 0.00 -2.93 0.00 0.00 61.98 57.41 2e9h s VAL 118 Cb -0.09 -1.88 0.05 0.00 -1.53 0.00 0.00 36.38 32.93 2e9h s VAL 118 CO 0.02 0.10 0.02 0.20 -3.33 0.00 0.00 175.10 172.11 2e9h s ASN 119 N -1.91 2.68 0.13 3.54 -0.87 -1.16 -5.02 114.94 112.34 2e9h s ASN 119 Ca 0.12 -0.69 -0.12 0.00 -1.57 0.00 0.00 52.86 50.61 2e9h s ASN 119 Cb -0.10 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.25 40.49 2e9h s ASN 119 CO 0.05 -0.28 1.46 1.55 -2.57 0.00 0.00 177.10 177.32 2e9h h PRO 120 N 8.25 0.91 0.12 -0.60 0.13 -1.95 0.18 132.00 139.03 2e9h h PRO 120 Ca -0.17 -0.48 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 2e9h h PRO 120 Cb 1.12 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2e9h h PRO 120 CO 0.33 1.13 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.95 2e9h h LYS 121 N 0.72 -0.15 0.00 0.86 1.63 -1.98 -3.30 116.57 114.34 2e9h h LYS 121 Ca 0.06 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2e9h h LYS 121 Cb 0.97 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2e9h h LYS 121 CO 0.09 0.16 -0.14 -0.22 -3.45 0.00 0.00 179.45 175.88 2e9h h LYS 122 N -0.99 0.00 -3.73 1.90 1.63 -1.99 -3.46 116.57 109.93 2e9h h LYS 122 Ca -0.02 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.38 2e9h h LYS 122 Cb 0.38 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2e9h h LYS 122 CO 0.03 0.14 -0.56 1.04 -3.45 0.00 0.00 179.45 176.65 2e9h n GLN 123 N -3.80 -3.14 -4.28 1.90 1.13 0.62 -4.98 117.38 104.83 2e9h n GLN 123 Ca -0.02 0.95 -0.22 0.00 -1.94 0.00 0.00 57.00 55.76 2e9h n GLN 123 Cb 0.25 -5.70 -0.12 0.00 0.11 0.00 0.00 30.24 24.78 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 -3.09 1.64 -0.10 5.09 -4.23 -1.22 -4.99 115.64 108.75 2e9h s THR 124 Ca 0.14 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2e9h s THR 124 Cb -0.06 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2e9h s THR 124 CO 0.17 -0.18 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.44 2e9h s ILE 125 N -1.49 4.26 -0.08 2.99 1.01 -1.26 -2.98 121.20 123.65 2e9h s ILE 125 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 2e9h s ILE 125 Cb -0.08 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2e9h s ILE 125 CO 0.04 0.58 0.20 -0.83 0.00 0.00 0.00 174.94 174.94 2e9h s GLY 126 N -0.67 -0.14 0.23 6.18 0.00 -1.01 -0.25 107.32 111.66 2e9h s GLY 126 Ca 0.11 0.63 0.07 0.00 0.00 0.00 0.00 44.72 45.53 2e9h s GLY 126 CO 0.02 0.62 0.09 0.54 0.00 0.00 0.00 173.10 174.37 2e9h s ASN 127 N 0.32 5.09 -0.03 1.64 4.22 -1.12 0.27 114.94 125.34 2e9h s ASN 127 Ca -0.02 -0.37 0.02 0.00 -2.14 0.00 0.00 52.86 50.35 2e9h s ASN 127 Cb -0.03 -1.17 0.00 0.00 1.28 0.00 0.00 41.25 41.33 2e9h s ASN 127 CO -0.01 0.02 -0.09 -0.94 -2.04 0.00 0.00 177.10 174.04 2e9h s SER 128 N -3.49 1.19 0.20 3.54 1.04 -0.72 -2.93 113.70 112.53 2e9h s SER 128 Ca 0.31 -0.18 0.10 0.00 0.48 0.00 0.00 55.95 56.66 2e9h s SER 128 Cb -0.08 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2e9h s SER 128 CO 0.22 0.06 -0.14 0.00 0.98 0.00 0.00 173.24 174.36 2e9h n LYS 130 N -0.01 2.21 -0.11 0.00 5.02 -1.26 -3.61 118.16 120.39 2e9h n LYS 130 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.13 2e9h n LYS 130 Cb 0.56 -0.98 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 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 0.00 0.45 0.00 7.82 0.00 -1.96 -3.32 119.26 122.25 2e9h h ALA 131 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2e9h h ALA 131 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2e9h h ALA 131 CO 0.00 -0.24 -1.31 0.00 0.00 0.00 0.00 179.25 177.70 2e9h n GLY 133 N 2.52 0.52 3.60 0.00 0.00 -1.25 -5.10 105.19 105.48 2e9h n GLY 133 Ca -0.06 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 3.13 -0.06 1.61 6.14 -1.24 -4.94 117.35 120.48 2e9h s TYR 134 Ca 0.00 -0.02 -0.05 0.00 0.64 0.00 0.00 57.07 57.64 2e9h s TYR 134 Cb 0.00 -1.92 0.02 0.00 0.42 0.00 0.00 41.96 40.48 2e9h s TYR 134 CO 0.00 0.21 0.15 1.03 0.64 0.00 0.00 175.55 177.58 2e9h s ARG 135 N -0.12 0.17 0.00 4.97 0.52 -1.26 -0.27 118.95 122.96 2e9h s ARG 135 Ca 0.04 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2e9h s ARG 135 Cb -0.13 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.40 2e9h s ARG 135 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.71 2e9h n GLY 136 N 3.13 1.10 3.19 -3.53 0.00 -1.15 -5.05 105.19 102.88 2e9h n GLY 136 Ca -0.14 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2e9h n GLY 136 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e9h s MET 137 N 1.23 3.07 0.73 1.61 -1.94 -1.26 -2.80 119.30 119.94 2e9h s MET 137 Ca 0.00 -0.82 -0.15 0.00 -1.71 0.00 0.00 55.69 53.01 2e9h s MET 137 Cb 0.00 -2.52 0.04 0.00 2.01 0.00 0.00 34.83 34.36 2e9h s MET 137 CO 0.00 -0.05 1.19 -0.51 -0.01 0.00 0.00 175.02 175.64 2e9h s LEU 138 N 0.92 3.30 -0.86 -0.03 1.43 0.66 -4.77 118.68 119.33 2e9h s LEU 138 Ca -0.04 2.28 -0.22 0.00 -1.03 0.00 0.00 54.13 55.13 2e9h s LEU 138 Cb -0.15 -4.58 -0.19 0.00 0.03 0.00 0.00 46.19 41.30 2e9h s LEU 138 CO -0.04 -2.20 2.00 -0.90 0.23 0.00 0.00 176.35 175.45 2e9h n ASP 139 N -2.75 0.76 -4.41 2.29 5.75 -1.26 -4.68 116.55 112.24 2e9h n ASP 139 Ca 0.13 -2.04 -0.48 0.00 -0.01 0.00 0.00 54.79 52.40 2e9h n ASP 139 Cb 0.51 -1.49 -0.14 0.00 -1.03 0.00 0.00 41.12 38.97 2e9h n ASP 139 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2e9h n THR 140 N 8.17 0.00 -2.75 2.12 -2.24 -1.26 -4.82 114.28 113.50 2e9h n THR 140 Ca 0.37 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.71 2e9h n THR 140 Cb 0.45 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2e9h n THR 140 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2e9h s HIS 141 N 7.99 2.89 0.35 4.78 2.46 -1.26 -4.88 115.29 127.62 2e9h s HIS 141 Ca 1.30 0.49 0.19 0.00 0.47 0.00 0.00 55.06 57.51 2e9h s HIS 141 Cb -1.33 -4.12 1.01 0.00 -0.13 0.00 0.00 32.58 28.01 2e9h s HIS 141 CO 0.55 -1.16 1.51 0.45 -2.47 0.00 0.00 174.74 173.62 2e9h h HIS 142 N 9.13 0.00 0.00 3.88 3.86 -1.98 0.49 115.15 130.53 2e9h h HIS 142 Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2e9h h HIS 142 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2e9h h HIS 142 CO 0.91 0.00 -0.19 1.63 0.86 0.00 0.00 177.93 181.14 2e9h n LYS 143 N -2.42 0.12 0.29 2.45 4.01 -1.26 -4.31 118.16 117.05 2e9h n LYS 143 Ca -0.01 0.19 -0.15 0.00 -0.51 0.00 0.00 58.31 57.83 2e9h n LYS 143 Cb 0.41 -0.87 -0.08 0.00 -0.51 0.00 0.00 35.03 33.99 2e9h n LYS 143 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2e9h h LEU 144 N -0.25 -0.64 -0.77 -0.35 5.85 -1.90 -3.19 115.31 114.06 2e9h h LEU 144 Ca 0.00 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.80 2e9h h LEU 144 Cb 0.19 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.26 2e9h h LEU 144 CO 0.00 -0.32 -0.30 0.00 -0.34 0.00 0.00 178.44 177.48 2e9h h THR 146 N 0.00 0.39 0.03 0.00 2.02 -1.60 0.16 112.91 113.90 2e9h h THR 146 Ca 0.27 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2e9h h THR 146 Cb 0.46 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2e9h h THR 146 CO -0.76 0.04 -0.01 0.15 0.37 0.00 0.00 175.52 175.31 2e9h h PHE 147 N 0.24 -0.03 -0.38 3.16 3.04 0.16 -2.34 116.94 120.79 2e9h h PHE 147 Ca 0.51 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.54 2e9h h PHE 147 Cb 0.98 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.42 2e9h h PHE 147 CO -0.26 0.47 -0.17 0.82 -2.02 0.00 0.00 178.31 177.16 2e9h h ILE 148 N -0.56 0.47 0.81 1.41 2.04 0.16 -0.84 117.51 120.99 2e9h h ILE 148 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2e9h h ILE 148 Cb 0.52 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2e9h h ILE 148 CO 0.01 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.65 2e9h h LEU 149 N -0.10 -1.07 -0.92 1.44 3.38 -0.79 -2.74 115.31 114.51 2e9h h LEU 149 Ca 0.19 0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.47 2e9h h LEU 149 Cb 0.39 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 2e9h h LEU 149 CO -0.44 -0.71 0.28 0.11 0.09 0.00 0.00 178.44 177.77 2e9h h LYS 150 N -1.15 0.18 -4.06 1.13 1.57 -1.09 -3.29 116.57 109.85 2e9h h LYS 150 Ca -0.11 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 58.05 2e9h h LYS 150 Cb 0.90 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.77 2e9h h LYS 150 CO 0.15 0.12 -0.75 -0.80 -0.57 0.00 0.00 179.45 177.59 2e9h s ASN 151 N -5.00 4.17 0.96 0.86 0.01 -0.35 -5.11 114.94 110.48 2e9h s ASN 151 Ca -0.12 -1.66 -0.12 0.00 -0.71 0.00 0.00 52.86 50.25 2e9h s ASN 151 Cb 0.28 -1.15 0.17 0.00 0.41 0.00 0.00 41.25 40.96 2e9h s ASN 151 CO 0.78 -0.36 1.09 -2.16 -1.51 0.00 0.00 177.10 174.94 2e9h s PRO 152 N 1.37 0.71 0.69 -0.60 0.04 -1.13 -4.52 135.00 131.56 2e9h s PRO 152 Ca 0.06 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 2e9h s PRO 152 Cb -0.18 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2e9h s PRO 152 CO -0.15 -2.57 1.10 -1.25 0.04 0.00 0.00 177.00 174.18 2e9h s PRO 153 N -4.95 2.63 -0.27 0.56 0.04 -1.26 -4.95 135.00 126.79 2e9h s PRO 153 Ca 0.65 1.32 0.11 0.00 0.04 0.00 0.00 61.00 63.12 2e9h s PRO 153 Cb -0.18 -1.93 0.74 0.00 0.04 0.00 0.00 34.50 33.17 2e9h s PRO 153 CO 0.57 -1.37 1.72 -1.91 0.04 0.00 0.00 177.00 176.05 2e9h n GLU 154 N -2.76 4.15 -2.26 4.56 4.07 -1.26 -4.86 120.64 122.28 2e9h n GLU 154 Ca 0.10 -2.94 -0.33 0.00 -0.06 0.00 0.00 57.16 53.93 2e9h n GLU 154 Cb 0.52 -2.20 -0.04 0.00 -0.06 0.00 0.00 31.44 29.66 2e9h n GLU 154 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2e9h s ASN 155 N -0.82 5.70 0.21 4.31 -0.87 -1.26 -4.79 114.94 117.42 2e9h s ASN 155 Ca 0.52 -1.47 -0.10 0.00 -1.57 0.00 0.00 52.86 50.24 2e9h s ASN 155 Cb 0.40 -2.57 0.21 0.00 -0.02 0.00 0.00 41.25 39.27 2e9h s ASN 155 CO 0.14 -2.31 1.83 -1.28 -2.57 0.00 0.00 177.10 172.91 2e9h h SER 156 N 9.81 0.65 -0.03 -1.22 0.87 -2.04 -3.54 113.55 118.04 2e9h h SER 156 Ca 0.22 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2e9h h SER 156 Cb 0.96 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2e9h h SER 156 CO 1.31 0.44 0.00 0.47 -0.53 0.00 0.00 176.83 178.52