#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 -0.97 -0.26 1.61 1.04 -1.26 -5.15 113.70 108.71 2e9h s SER 2 Ca 0.00 1.04 -0.09 0.00 0.48 0.00 0.00 55.95 57.39 2e9h s SER 2 Cb 0.00 1.99 0.12 0.00 0.10 0.00 0.00 66.02 68.23 2e9h s SER 2 CO 0.00 -0.18 0.57 -0.55 0.98 0.00 0.00 173.24 174.05 2e9h s SER 3 N 2.77 -0.83 1.06 7.02 0.15 -1.26 -5.16 113.70 117.45 2e9h s SER 3 Ca 0.02 1.36 -0.14 0.00 0.70 0.00 0.00 55.95 57.89 2e9h s SER 3 Cb -0.11 1.97 0.14 0.00 -1.71 0.00 0.00 66.02 66.31 2e9h s SER 3 CO -0.18 -0.23 0.55 0.61 1.20 0.00 0.00 173.24 175.19 2e9h n GLY 4 N 5.43 -1.93 3.56 9.45 0.00 -1.26 -4.76 105.19 115.68 2e9h n GLY 4 Ca -0.11 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 5 N -2.15 4.63 -0.53 1.61 0.15 -1.26 -4.77 113.70 111.38 2e9h s SER 5 Ca 0.61 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.15 2e9h s SER 5 Cb -0.19 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.08 2e9h s SER 5 CO 0.65 -3.13 1.85 -1.20 1.20 0.00 0.00 173.24 172.61 2e9h n SER 6 N 15.74 5.91 0.07 5.45 7.64 -1.26 -4.62 113.62 142.55 2e9h n SER 6 Ca 0.40 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.54 2e9h n SER 6 Cb 0.47 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2e9h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9h n GLY 7 N -0.97 -0.26 2.54 0.23 0.00 -1.26 -5.10 105.19 100.36 2e9h n GLY 7 Ca 0.57 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2e9h n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2e9h n MET 8 N -2.98 0.00 -3.66 1.61 0.00 -1.26 -4.87 117.12 105.95 2e9h n MET 8 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.55 2e9h n MET 8 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 33.22 32.40 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 -0.75 -0.48 0.44 7.83 0.01 -1.26 -4.53 113.70 114.96 2e9h s SER 9 Ca 0.48 0.69 0.03 0.00 1.31 0.00 0.00 55.95 58.45 2e9h s SER 9 Cb -0.69 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2e9h s SER 9 CO 0.42 -0.39 0.64 0.68 0.41 0.00 0.00 173.24 175.00 2e9h s VAL 10 N -0.63 3.63 0.36 3.43 -7.23 -0.25 -4.77 120.40 114.94 2e9h s VAL 10 Ca -0.07 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 2e9h s VAL 10 Cb -0.03 -3.31 -0.12 0.00 0.56 0.00 0.00 36.38 33.48 2e9h s VAL 10 CO 0.05 -0.19 1.38 0.59 -0.31 0.00 0.00 175.10 176.61 2e9h n ASN 11 N -2.02 3.21 -0.33 4.85 4.13 -1.26 -1.20 115.26 122.64 2e9h n ASN 11 Ca 0.03 1.21 0.24 0.00 1.68 0.00 0.00 54.58 57.74 2e9h n ASN 11 Cb 0.58 -1.55 0.45 0.00 -1.54 0.00 0.00 39.78 37.73 2e9h n ASN 11 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2e9h n VAL 12 N 0.33 -0.41 -2.25 2.41 0.31 -1.25 -4.43 118.33 113.04 2e9h n VAL 12 Ca 0.03 2.07 -0.20 0.00 -0.01 0.00 0.00 64.34 66.23 2e9h n VAL 12 Cb 0.38 -3.21 0.12 0.00 -0.91 0.00 0.00 33.84 30.22 2e9h n VAL 12 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2e9h n ASN 13 N -5.33 0.72 0.00 4.52 4.13 -1.26 -4.93 115.26 113.10 2e9h n ASN 13 Ca 0.31 -1.72 0.00 0.00 1.68 0.00 0.00 54.58 54.85 2e9h n ASN 13 Cb 1.04 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 2e9h n ASN 13 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2e9h n ARG 14 N -2.74 1.22 -2.44 3.52 5.12 -1.26 -4.77 116.66 115.30 2e9h n ARG 14 Ca 0.13 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.80 2e9h n ARG 14 Cb 0.46 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 2e9h n ARG 14 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2e9h n SER 15 N -1.42 4.51 -4.24 0.55 2.88 -1.26 -5.01 113.62 109.63 2e9h n SER 15 Ca 0.00 -3.65 -0.36 0.00 -1.33 0.00 0.00 58.87 53.54 2e9h n SER 15 Cb 0.08 -0.45 -0.14 0.00 -0.75 0.00 0.00 64.21 62.96 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e9h s VAL 16 N -5.27 3.28 -1.15 2.46 0.11 -1.26 -5.03 120.40 113.54 2e9h s VAL 16 Ca 0.47 -1.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2e9h s VAL 16 Cb 0.40 -2.74 0.26 0.00 -1.53 0.00 0.00 36.38 32.77 2e9h s VAL 16 CO -0.15 0.06 1.46 -0.24 -3.33 0.00 0.00 175.10 172.90 2e9h n SER 17 N 4.72 5.80 -3.48 3.54 2.88 -1.26 -4.89 113.62 120.94 2e9h n SER 17 Ca -0.15 -3.21 0.01 0.00 -1.33 0.00 0.00 58.87 54.19 2e9h n SER 17 Cb 0.46 -1.37 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 2e9h n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2e9h s ASP 18 N 0.06 -0.72 -0.13 -3.46 2.15 -1.26 -5.04 116.67 108.28 2e9h s ASP 18 Ca 0.34 0.99 -0.03 0.00 0.43 0.00 0.00 52.55 54.28 2e9h s ASP 18 Cb 0.01 1.79 -0.08 0.00 -0.30 0.00 0.00 42.92 44.34 2e9h s ASP 18 CO 0.03 -0.14 2.86 0.00 -0.17 0.00 0.00 175.17 177.75 2e9h n GLN 19 N 5.01 1.81 -0.01 4.34 10.64 -1.26 -3.75 117.38 134.16 2e9h n GLN 19 Ca -0.10 -1.09 -0.01 0.00 -1.83 0.00 0.00 57.00 53.97 2e9h n GLN 19 Cb 0.52 -1.73 -0.01 0.00 -0.86 0.00 0.00 30.24 28.15 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 1.67 0.00 -1.30 2.61 3.01 -1.26 -5.00 117.46 117.19 2e9h n PHE 20 Ca 0.32 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.30 2e9h n PHE 20 Cb 0.70 -0.09 -0.13 0.00 -0.01 0.00 0.00 39.48 39.96 2e9h n PHE 20 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2e9h n TYR 21 N -2.47 0.83 0.00 1.38 4.19 -1.25 -4.83 117.16 115.02 2e9h n TYR 21 Ca -0.04 0.55 0.00 0.00 3.31 0.00 0.00 57.90 61.72 2e9h n TYR 21 Cb 0.55 -2.22 0.00 0.00 0.49 0.00 0.00 39.34 38.16 2e9h n TYR 21 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2e9h n ARG 22 N 7.58 0.00 -1.45 2.98 0.63 -1.26 -4.79 116.66 120.34 2e9h n ARG 22 Ca 0.57 0.31 -0.40 0.00 -0.92 0.00 0.00 57.85 57.41 2e9h n ARG 22 Cb -0.01 -1.18 0.02 0.00 0.45 0.00 0.00 32.46 31.74 2e9h n ARG 22 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2e9h n TYR 23 N -1.42 -0.66 -3.71 -0.14 4.01 -1.26 -5.00 117.16 108.97 2e9h n TYR 23 Ca 0.00 0.52 -0.10 0.00 -0.16 0.00 0.00 57.90 58.16 2e9h n TYR 23 Cb 0.00 -1.97 -0.06 0.00 -0.31 0.00 0.00 39.34 37.01 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 -1.78 0.97 0.01 -0.72 1.02 -1.26 -3.94 119.74 114.04 2e9h s LYS 24 Ca 0.65 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.91 2e9h s LYS 24 Cb -0.52 0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 2e9h s LYS 24 CO 0.57 -0.36 -0.10 0.00 -0.92 0.00 0.00 175.35 174.55 2e9h s MET 25 N -3.68 0.72 0.66 1.68 0.23 -0.34 -4.86 119.30 113.70 2e9h s MET 25 Ca 0.03 -0.49 -0.15 0.00 -1.03 0.00 0.00 55.69 54.05 2e9h s MET 25 Cb 0.03 -0.67 0.00 0.00 -1.53 0.00 0.00 34.83 32.65 2e9h s MET 25 CO -0.11 0.17 1.11 -1.25 -2.03 0.00 0.00 175.02 172.92 2e9h s PRO 26 N -0.66 2.79 -0.22 3.16 0.04 -1.26 -1.09 135.00 137.76 2e9h s PRO 26 Ca 0.01 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 2e9h s PRO 26 Cb -0.05 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2e9h s PRO 26 CO 0.00 -1.26 1.20 1.03 0.04 0.00 0.00 177.00 178.01 2e9h s ARG 27 N -4.09 4.16 0.26 4.56 3.00 -1.26 -4.84 118.95 120.74 2e9h s ARG 27 Ca 0.67 1.45 -0.31 0.00 0.00 0.00 0.00 55.73 57.54 2e9h s ARG 27 Cb -0.21 -3.75 -0.13 0.00 0.00 0.00 0.00 34.95 30.86 2e9h s ARG 27 CO 0.42 -0.78 1.48 1.47 0.00 0.00 0.00 175.30 177.88 2e9h n LEU 28 N 6.75 3.55 -4.85 2.53 -0.00 -1.26 -4.98 117.00 118.73 2e9h n LEU 28 Ca 0.13 1.14 -0.35 0.00 -0.00 0.00 0.00 56.01 56.93 2e9h n LEU 28 Cb 0.46 -1.49 -0.06 0.00 -0.00 0.00 0.00 43.42 42.33 2e9h n LEU 28 CO 0.57 -0.26 -0.19 -0.63 -0.00 0.00 0.00 177.39 176.88 2e9h s ILE 29 N -0.02 5.27 -0.09 1.47 1.01 -1.26 -4.82 121.20 122.76 2e9h s ILE 29 Ca 0.67 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.32 2e9h s ILE 29 Cb -0.59 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2e9h s ILE 29 CO 0.49 0.50 -0.15 0.00 0.00 0.00 0.00 174.94 175.77 2e9h s ALA 30 N -1.12 1.57 -0.13 9.38 0.00 -1.26 -2.74 121.76 127.45 2e9h s ALA 30 Ca 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2e9h s ALA 30 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2e9h s ALA 30 CO 0.09 0.08 -0.02 0.21 0.00 0.00 0.00 175.76 176.13 2e9h s LYS 31 N 0.71 3.46 -0.02 0.00 2.20 -0.54 -4.81 119.74 120.75 2e9h s LYS 31 Ca -0.13 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2e9h s LYS 31 Cb -0.16 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2e9h s LYS 31 CO 0.03 0.39 -0.07 0.08 -0.36 0.00 0.00 175.35 175.42 2e9h s VAL 32 N -0.03 0.58 -0.01 4.02 1.01 -1.26 -1.26 120.40 123.46 2e9h s VAL 32 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2e9h s VAL 32 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2e9h s VAL 32 CO 0.02 0.19 -0.03 -1.61 0.00 0.00 0.00 175.10 173.67 2e9h s GLU 33 N 0.14 0.26 0.34 2.72 0.41 -1.26 -5.02 118.70 116.29 2e9h s GLU 33 Ca -0.02 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 2e9h s GLU 33 Cb -0.06 -0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.02 2e9h s GLU 33 CO -0.00 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 2e9h n GLY 34 N 3.12 -3.70 3.09 -1.39 0.00 -1.26 -3.78 105.19 101.27 2e9h n GLY 34 Ca -0.14 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2e9h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9h s LYS 35 N -4.76 2.23 0.00 1.61 2.36 -1.26 -3.75 119.74 116.16 2e9h s LYS 35 Ca 0.00 -1.38 0.00 0.00 -2.55 0.00 0.00 55.97 52.04 2e9h s LYS 35 Cb 0.00 -2.99 0.00 0.00 -1.05 0.00 0.00 37.83 33.79 2e9h s LYS 35 CO 0.00 -0.62 0.00 0.41 1.55 0.00 0.00 175.35 176.69 2e9h n GLY 36 N 4.47 2.75 2.10 5.54 0.00 -1.26 -4.78 105.19 114.00 2e9h n GLY 36 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 0.52 5.89 0.00 1.61 2.85 -1.26 -4.62 115.26 120.24 2e9h n ASN 37 Ca 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 54.58 51.04 2e9h n ASN 37 Cb 0.00 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 -0.58 1.89 3.67 8.20 0.00 -1.26 -4.96 105.19 112.15 2e9h n GLY 38 Ca 0.49 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 0.02 -0.61 2.07 -1.25 -4.80 121.20 118.66 2e9h s ILE 39 Ca 0.00 1.30 -0.04 0.00 -1.41 0.00 0.00 60.65 60.50 2e9h s ILE 39 Cb 0.00 -3.84 -0.01 0.00 0.13 0.00 0.00 42.46 38.74 2e9h s ILE 39 CO 0.00 -0.07 0.06 -1.59 -1.91 0.00 0.00 174.94 171.43 2e9h s LYS 40 N 3.14 0.49 -0.34 3.50 -2.85 -1.26 -3.86 119.74 118.55 2e9h s LYS 40 Ca 0.60 -0.66 -0.12 0.00 -1.00 0.00 0.00 55.97 54.79 2e9h s LYS 40 Cb -0.26 0.19 -0.01 0.00 -2.06 0.00 0.00 37.83 35.68 2e9h s LYS 40 CO 0.21 -0.11 0.22 0.99 0.10 0.00 0.00 175.35 176.77 2e9h s THR 41 N -2.07 5.12 -0.35 3.79 2.01 -0.48 -4.17 115.64 119.49 2e9h s THR 41 Ca -0.10 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 2e9h s THR 41 Cb -0.05 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.84 2e9h s THR 41 CO -0.02 -0.02 0.17 -0.69 -0.69 0.00 0.00 174.62 173.37 2e9h s VAL 42 N 1.69 4.38 -1.28 3.82 1.01 -0.39 -0.14 120.40 129.49 2e9h s VAL 42 Ca 0.06 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2e9h s VAL 42 Cb -0.17 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.86 2e9h s VAL 42 CO 0.09 -0.14 1.75 -0.63 0.00 0.00 0.00 175.10 176.18 2e9h s ILE 43 N 1.53 4.05 0.14 2.22 1.01 -1.17 -1.46 121.20 127.51 2e9h s ILE 43 Ca 0.02 -1.77 -0.22 0.00 0.00 0.00 0.00 60.65 58.67 2e9h s ILE 43 Cb -0.19 -5.13 -0.01 0.00 0.01 0.00 0.00 42.46 37.15 2e9h s ILE 43 CO 0.05 -1.91 1.66 0.58 0.00 0.00 0.00 174.94 175.32 2e9h h VAL 44 N 5.68 0.55 -0.07 2.92 2.07 -1.78 -1.62 116.25 124.00 2e9h h VAL 44 Ca 0.42 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.87 2e9h h VAL 44 Cb 0.88 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2e9h h VAL 44 CO 1.43 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 175.83 2e9h n ASN 45 N -5.32 5.48 -0.05 0.57 5.15 -1.25 -4.27 115.26 115.57 2e9h n ASN 45 Ca -0.02 -2.50 -0.06 0.00 -0.60 0.00 0.00 54.58 51.39 2e9h n ASN 45 Cb 0.23 -1.16 -0.06 0.00 -0.53 0.00 0.00 39.78 38.27 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 1.33 -0.01 -0.40 1.20 1.85 -1.60 -3.08 114.93 114.23 2e9h h MET 46 Ca 0.06 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 2e9h h MET 46 Cb 1.05 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.06 2e9h h MET 46 CO 0.13 0.41 0.26 0.28 -0.40 0.00 0.00 176.91 177.58 2e9h h VAL 47 N -1.00 1.10 0.72 -5.77 2.07 -1.82 -2.20 116.25 109.35 2e9h h VAL 47 Ca -0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2e9h h VAL 47 Cb 0.43 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2e9h h VAL 47 CO 0.00 0.10 -0.34 -0.78 0.02 0.00 0.00 177.57 176.57 2e9h h ASP 48 N 0.54 -0.81 -0.97 0.57 3.58 -1.85 0.22 116.42 117.68 2e9h h ASP 48 Ca 0.14 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.82 2e9h h ASP 48 Cb -0.05 0.21 -0.09 0.00 1.72 0.00 0.00 39.33 41.12 2e9h h ASP 48 CO -0.03 -0.53 0.61 -0.37 -2.88 0.00 0.00 179.24 176.04 2e9h h VAL 49 N -1.06 0.69 0.23 2.25 -1.51 -1.43 -1.03 116.25 114.39 2e9h h VAL 49 Ca -0.10 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 2e9h h VAL 49 Cb 0.74 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 2e9h h VAL 49 CO 0.16 0.11 -0.11 0.00 -1.23 0.00 0.00 177.57 176.50 2e9h h ALA 50 N 1.62 -0.32 -0.99 5.19 0.00 -1.27 -3.03 119.26 120.46 2e9h h ALA 50 Ca 0.54 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.46 2e9h h ALA 50 Cb 1.03 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2e9h h ALA 50 CO -0.29 -0.45 0.62 0.87 0.00 0.00 0.00 179.25 180.00 2e9h h LYS 51 N -0.77 0.59 -0.04 0.00 1.57 0.17 0.42 116.57 118.51 2e9h h LYS 51 Ca -0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2e9h h LYS 51 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2e9h h LYS 51 CO 0.05 0.39 -0.17 0.00 -0.57 0.00 0.00 179.45 179.15 2e9h h ALA 52 N 1.64 1.65 -0.45 3.86 0.00 -1.19 -1.50 119.26 123.28 2e9h h ALA 52 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2e9h h ALA 52 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2e9h h ALA 52 CO -0.33 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.46 2e9h n LEU 53 N -4.31 4.19 -2.06 0.00 4.77 0.14 -4.89 117.00 114.85 2e9h n LEU 53 Ca -0.02 -2.12 -0.10 0.00 -0.03 0.00 0.00 56.01 53.74 2e9h n LEU 53 Cb 0.25 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2e9h n LEU 53 CO 0.37 0.57 -0.11 -0.46 -1.33 0.00 0.00 177.39 176.42 2e9h n ASN 54 N 0.58 -3.05 -4.11 -1.43 6.94 -0.56 -4.91 115.26 108.72 2e9h n ASN 54 Ca 0.20 0.25 -0.15 0.00 -0.02 0.00 0.00 54.58 54.87 2e9h n ASN 54 Cb 0.86 -2.73 -0.11 0.00 -2.36 0.00 0.00 39.78 35.43 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2e9h s ARG 55 N -4.28 0.66 0.53 -3.83 0.52 -0.94 -5.02 118.95 106.59 2e9h s ARG 55 Ca 0.00 -0.88 -0.20 0.00 -0.52 0.00 0.00 55.73 54.13 2e9h s ARG 55 Cb 0.00 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.93 2e9h s ARG 55 CO 0.00 0.09 1.14 -1.25 0.02 0.00 0.00 175.30 175.30 2e9h s PRO 56 N -1.82 3.44 0.06 3.54 0.04 -1.26 -3.47 135.00 135.52 2e9h s PRO 56 Ca -0.05 1.64 0.16 0.00 0.04 0.00 0.00 61.00 62.79 2e9h s PRO 56 Cb -0.09 -2.09 0.69 0.00 0.04 0.00 0.00 34.50 33.05 2e9h s PRO 56 CO 0.01 -0.78 1.51 -0.35 0.04 0.00 0.00 177.00 177.43 2e9h n PRO 57 N -1.13 0.04 0.24 0.56 -0.04 -1.26 -2.76 135.00 130.65 2e9h n PRO 57 Ca 0.11 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2e9h n PRO 57 Cb 0.50 -1.58 0.60 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 0.88 0.40 0.52 1.35 -1.97 0.24 112.91 114.34 2e9h h THR 58 Ca 0.00 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 2e9h h THR 58 Cb 0.27 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2e9h h THR 58 CO 0.00 0.17 -0.19 1.88 -0.25 0.00 0.00 175.52 177.12 2e9h h TYR 59 N 0.00 -0.50 0.06 4.73 0.05 -1.92 -2.99 116.97 116.40 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 0.36 0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2e9h h TYR 59 CO 0.00 -0.22 -0.03 -1.00 -1.05 0.00 0.00 178.16 175.86 2e9h h PRO 60 N -1.07 -0.07 -0.68 4.88 0.13 -1.73 -2.49 132.00 130.97 2e9h h PRO 60 Ca -0.06 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.22 2e9h h PRO 60 Cb 0.50 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.52 2e9h h PRO 60 CO 0.09 0.39 -0.12 1.15 -0.23 0.00 0.00 178.00 179.27 2e9h h THR 61 N -0.56 0.34 -0.19 1.56 2.02 -0.68 -0.59 112.91 114.81 2e9h h THR 61 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2e9h h THR 61 Cb 0.49 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2e9h h THR 61 CO 0.01 0.00 0.04 0.11 0.37 0.00 0.00 175.52 176.06 2e9h h LYS 62 N 0.03 0.30 -0.59 6.66 1.79 -1.58 -3.21 116.57 119.97 2e9h h LYS 62 Ca 0.34 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.81 2e9h h LYS 62 Cb 0.54 -0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.05 2e9h h LYS 62 CO -0.67 0.44 -0.51 -0.92 -1.08 0.00 0.00 179.45 176.70 2e9h h TYR 63 N 0.12 -1.57 -0.75 -1.35 3.20 -0.64 -1.70 116.97 114.28 2e9h h TYR 63 Ca 0.06 0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2e9h h TYR 63 Cb 0.27 0.76 -0.10 0.00 1.54 0.00 0.00 36.73 39.21 2e9h h TYR 63 CO 0.01 -0.44 -0.53 0.74 -1.64 0.00 0.00 178.16 176.30 2e9h h PHE 64 N -0.25 -1.67 -0.90 -3.82 0.04 -1.37 0.13 116.94 109.09 2e9h h PHE 64 Ca 0.14 0.11 0.22 0.00 2.80 0.00 0.00 57.97 61.23 2e9h h PHE 64 Cb 0.55 0.83 -0.16 0.00 2.20 0.00 0.00 35.95 39.37 2e9h h PHE 64 CO -0.78 -0.37 -0.01 0.78 -0.60 0.00 0.00 178.31 177.33 2e9h h GLY 65 N -0.11 1.02 0.57 -1.45 0.00 -1.36 0.22 103.07 101.98 2e9h h GLY 65 Ca 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2e9h h GLY 65 CO -0.76 -0.41 -0.50 0.00 0.00 0.00 0.00 176.54 174.87 2e9h h GLU 67 N -1.04 0.71 0.00 0.00 4.39 -0.63 -0.21 114.58 117.80 2e9h h GLU 67 Ca -0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2e9h h GLU 67 Cb 0.89 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2e9h h GLU 67 CO -0.03 0.47 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.97 2e9h h LEU 68 N 0.73 0.00 1.19 1.33 3.38 -0.28 -3.47 115.31 118.20 2e9h h LEU 68 Ca 0.36 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.15 2e9h h LEU 68 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2e9h h LEU 68 CO -0.23 0.25 -0.23 0.61 0.09 0.00 0.00 178.44 178.93 2e9h n GLY 69 N 0.45 0.12 1.95 0.83 0.00 0.58 -5.02 105.19 104.10 2e9h n GLY 69 Ca 0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h n ALA 70 N -1.13 0.23 -2.42 4.61 0.00 -0.64 -5.01 120.51 116.15 2e9h n ALA 70 Ca -0.11 -1.22 -0.21 0.00 0.00 0.00 0.00 53.44 51.90 2e9h n ALA 70 Cb 0.55 0.67 0.00 0.00 0.00 0.00 0.00 19.45 20.67 2e9h n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e9h s GLN 71 N -2.98 3.12 0.06 0.00 1.11 -1.26 -4.60 119.66 115.11 2e9h s GLN 71 Ca 0.00 -0.68 0.01 0.00 0.01 0.00 0.00 55.36 54.70 2e9h s GLN 71 Cb 0.00 -2.67 -0.04 0.00 -1.01 0.00 0.00 33.01 29.29 2e9h s GLN 71 CO 0.00 -0.10 -0.05 0.95 0.01 0.00 0.00 175.29 176.10 2e9h s THR 72 N -2.38 0.46 -0.11 -0.19 -4.23 -1.26 -1.50 115.64 106.43 2e9h s THR 72 Ca 0.46 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2e9h s THR 72 Cb -0.10 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.50 2e9h s THR 72 CO 0.35 -0.77 -0.23 -1.58 -0.54 0.00 0.00 174.62 171.86 2e9h s GLN 73 N -3.11 2.93 -0.18 3.99 0.74 -0.22 -4.98 119.66 118.83 2e9h s GLN 73 Ca 0.03 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 2e9h s GLN 73 Cb 0.01 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 31.87 2e9h s GLN 73 CO -0.05 0.13 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.62 2e9h s PHE 74 N 0.47 2.83 -0.46 1.67 0.40 -1.26 -1.96 117.98 119.66 2e9h s PHE 74 Ca -0.16 -1.17 0.03 0.00 -0.60 0.00 0.00 56.93 55.04 2e9h s PHE 74 Cb -0.17 -1.95 0.16 0.00 0.51 0.00 0.00 43.02 41.57 2e9h s PHE 74 CO 0.06 -0.58 0.34 -0.51 0.70 0.00 0.00 175.22 175.24 2e9h s ASP 75 N 1.10 2.53 0.29 1.36 1.11 -1.00 -4.97 116.67 117.10 2e9h s ASP 75 Ca 0.00 -3.04 -0.00 0.00 0.18 0.00 0.00 52.55 49.69 2e9h s ASP 75 Cb -0.14 -0.72 0.49 0.00 1.07 0.00 0.00 42.92 43.62 2e9h s ASP 75 CO -0.04 -0.19 1.90 0.58 1.18 0.00 0.00 175.17 178.60 2e9h h VAL 76 N 4.72 1.08 -0.91 -1.27 2.07 -1.94 0.37 116.25 120.36 2e9h h VAL 76 Ca 0.18 -0.37 0.20 0.00 0.82 0.00 0.00 66.70 67.53 2e9h h VAL 76 Cb 0.89 -0.10 -0.17 0.00 -1.52 0.00 0.00 31.29 30.40 2e9h h VAL 76 CO 0.43 0.20 -0.15 0.11 0.02 0.00 0.00 177.57 178.18 2e9h h LYS 77 N 1.08 0.01 -0.29 1.57 1.57 -1.95 0.32 116.57 118.87 2e9h h LYS 77 Ca 0.40 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2e9h h LYS 77 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2e9h h LYS 77 CO -0.15 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.83 2e9h n ASN 78 N -5.54 3.81 -4.49 0.86 3.02 -0.95 -4.96 115.26 107.02 2e9h n ASN 78 Ca 0.16 -2.85 -0.40 0.00 -0.03 0.00 0.00 54.58 51.46 2e9h n ASN 78 Cb 0.52 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.30 -1.28 -4.37 6.41 8.00 0.11 -4.90 116.55 120.22 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 0.83 -1.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.14 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 -7.26 3.41 -0.05 -1.24 1.70 -0.69 -4.86 118.95 109.95 2e9h s ARG 80 Ca 0.65 -0.67 0.06 0.00 -0.47 0.00 0.00 55.73 55.30 2e9h s ARG 80 Cb -0.38 -2.69 -0.02 0.00 -0.57 0.00 0.00 34.95 31.29 2e9h s ARG 80 CO 1.02 0.17 -0.22 0.71 -1.08 0.00 0.00 175.30 175.90 2e9h s TYR 81 N 0.47 2.50 0.03 5.89 1.51 -1.26 -2.36 117.35 124.13 2e9h s TYR 81 Ca -0.08 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2e9h s TYR 81 Cb -0.16 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2e9h s TYR 81 CO 0.04 -0.10 -0.17 0.42 -1.11 0.00 0.00 175.55 174.63 2e9h s ILE 82 N -0.33 1.35 -0.32 2.71 1.01 -0.83 -3.03 121.20 121.76 2e9h s ILE 82 Ca 0.02 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2e9h s ILE 82 Cb -0.12 -1.19 0.10 0.00 0.01 0.00 0.00 42.46 41.25 2e9h s ILE 82 CO 0.02 0.13 0.07 -0.69 0.00 0.00 0.00 174.94 174.47 2e9h s VAL 83 N -0.77 1.43 0.38 2.92 1.01 0.80 -1.05 120.40 125.13 2e9h s VAL 83 Ca 0.05 -1.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.06 2e9h s VAL 83 Cb -0.08 -2.05 -0.15 0.00 0.00 0.00 0.00 36.38 34.10 2e9h s VAL 83 CO 0.01 -0.62 0.26 0.59 0.00 0.00 0.00 175.10 175.34 2e9h n ASN 84 N 4.62 -2.17 0.00 3.32 3.02 -0.56 -2.26 115.26 121.23 2e9h n ASN 84 Ca -0.00 0.87 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 2e9h n ASN 84 Cb 0.42 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 85 N 2.16 0.89 3.71 7.41 0.00 -1.25 -4.71 105.19 113.39 2e9h n GLY 85 Ca 0.12 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 2e9h n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 86 N -0.99 6.65 -0.19 1.61 0.15 -1.26 -1.38 113.70 118.30 2e9h s SER 86 Ca 0.00 0.78 -0.15 0.00 0.70 0.00 0.00 55.95 57.28 2e9h s SER 86 Cb 0.00 -2.29 0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2e9h s SER 86 CO 0.00 -0.04 0.48 -1.00 1.20 0.00 0.00 173.24 173.88 2e9h s HIS 87 N 0.86 -0.59 0.10 3.44 3.76 -1.26 -4.99 115.29 116.60 2e9h s HIS 87 Ca 0.25 1.36 -0.16 0.00 -0.15 0.00 0.00 55.06 56.37 2e9h s HIS 87 Cb -0.15 0.24 -0.07 0.00 1.11 0.00 0.00 32.58 33.72 2e9h s HIS 87 CO 0.10 -0.30 0.53 -1.83 -0.85 0.00 0.00 174.74 172.39 2e9h s GLU 88 N 0.70 4.04 0.28 1.40 -1.05 -1.26 -4.88 118.70 117.93 2e9h s GLU 88 Ca -0.04 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 2e9h s GLU 88 Cb -0.05 -3.09 0.66 0.00 -0.44 0.00 0.00 34.13 31.22 2e9h s GLU 88 CO -0.05 0.57 1.63 0.00 0.95 0.00 0.00 175.26 178.36 2e9h h ALA 89 N 4.08 1.15 -0.82 -0.84 0.00 -1.87 0.31 119.26 121.27 2e9h h ALA 89 Ca -0.49 0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.86 2e9h h ALA 89 Cb 1.20 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 19.27 2e9h h ALA 89 CO 0.64 -0.49 0.25 -0.97 0.00 0.00 0.00 179.25 178.69 2e9h h ASN 90 N 0.14 0.09 0.04 0.00 -0.00 -1.93 0.39 115.58 114.30 2e9h h ASN 90 Ca 0.53 0.16 -0.00 0.00 -0.00 0.00 0.00 56.30 56.99 2e9h h ASN 90 Cb 1.06 0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.58 2e9h h ASN 90 CO -0.71 -0.06 -0.02 0.50 -0.00 0.00 0.00 177.43 177.14 2e9h h LYS 91 N 0.29 -0.05 -0.32 6.67 3.64 -0.80 -3.04 116.57 122.96 2e9h h LYS 91 Ca 0.49 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.94 2e9h h LYS 91 Cb 0.90 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.65 2e9h h LYS 91 CO -0.56 0.47 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.63 2e9h h LEU 92 N -0.59 -1.29 -1.13 5.20 3.38 -0.42 0.85 115.31 121.31 2e9h h LEU 92 Ca -0.00 0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.36 2e9h h LEU 92 Cb 0.54 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 2e9h h LEU 92 CO 0.01 -0.37 0.62 1.56 0.09 0.00 0.00 178.44 180.34 2e9h h GLN 93 N -0.35 0.65 -0.14 1.13 1.08 -1.05 0.24 115.11 116.66 2e9h h GLN 93 Ca 0.13 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2e9h h GLN 93 Cb 0.58 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2e9h h GLN 93 CO -0.51 0.43 0.09 0.22 -0.95 0.00 0.00 178.83 178.11 2e9h h ASP 94 N 0.67 0.17 0.11 1.46 3.58 -0.74 -2.04 116.42 119.63 2e9h h ASP 94 Ca 0.56 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.97 2e9h h ASP 94 Cb 0.99 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2e9h h ASP 94 CO -0.33 0.15 -0.05 0.24 -2.88 0.00 0.00 179.24 176.36 2e9h h MET 95 N 0.17 -0.14 -0.84 0.28 2.86 -0.26 -3.21 114.93 113.80 2e9h h MET 95 Ca 0.05 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.91 2e9h h MET 95 Cb 0.01 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 31.56 2e9h h MET 95 CO -0.01 0.26 0.09 1.25 1.06 0.00 0.00 176.91 179.56 2e9h h LEU 96 N -0.58 -0.24 -0.78 1.22 5.85 -0.58 -0.30 115.31 119.90 2e9h h LEU 96 Ca -0.01 0.21 0.15 0.00 0.84 0.00 0.00 57.88 59.06 2e9h h LEU 96 Cb 0.46 0.34 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 2e9h h LEU 96 CO 0.02 -0.20 -0.21 -0.67 -0.34 0.00 0.00 178.44 177.04 2e9h n ASP 97 N -5.32 -0.32 -0.18 1.25 2.03 -0.77 0.91 116.55 114.15 2e9h n ASP 97 Ca 0.18 1.34 -0.02 0.00 0.52 0.00 0.00 54.79 56.81 2e9h n ASP 97 Cb 0.59 -0.39 0.05 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.42 0.93 0.27 0.00 -1.20 0.62 103.07 104.11 2e9h h GLY 98 Ca 0.35 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.86 2e9h h GLY 98 CO -0.79 -0.21 0.02 -2.75 0.00 0.00 0.00 176.54 172.81 2e9h h PHE 99 N 0.01 0.04 0.00 5.60 3.57 0.41 -1.38 116.94 125.20 2e9h h PHE 99 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2e9h h PHE 99 Cb 0.41 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2e9h h PHE 99 CO -0.45 0.02 0.00 -0.89 -2.23 0.00 0.00 178.31 174.77 2e9h n ILE 100 N -5.08 0.86 0.24 1.41 5.41 -0.65 -0.32 119.36 121.24 2e9h n ILE 100 Ca -0.05 0.22 0.13 0.00 1.00 0.00 0.00 62.75 64.05 2e9h n ILE 100 Cb 0.05 -1.11 0.50 0.00 -0.71 0.00 0.00 39.64 38.36 2e9h n ILE 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2e9h h LYS 101 N 0.00 0.00 0.00 0.38 1.63 0.14 0.22 116.57 118.94 2e9h h LYS 101 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2e9h h LYS 101 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2e9h h LYS 101 CO 0.00 0.10 0.00 0.36 -3.45 0.00 0.00 179.45 176.46 2e9h n LYS 102 N -3.20 0.00 -0.33 1.90 2.85 -0.95 -4.35 118.16 114.08 2e9h n LYS 102 Ca 0.01 0.00 0.35 0.00 -1.05 0.00 0.00 58.31 57.62 2e9h n LYS 102 Cb 0.40 -0.08 0.64 0.00 -0.65 0.00 0.00 35.03 35.34 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 0.00 0.00 0.00 5.58 -1.00 -0.91 -3.21 116.94 117.39 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2e9h h PHE 103 CO 0.00 0.00 0.00 0.28 -1.61 0.00 0.00 178.31 176.98 2e9h n VAL 104 N -3.64 0.00 -0.99 -0.55 0.31 -1.21 -4.97 118.33 107.28 2e9h n VAL 104 Ca 0.27 0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 64.42 2e9h n VAL 104 Cb 1.50 -1.09 0.13 0.00 -0.91 0.00 0.00 33.84 33.47 2e9h n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2e9h s LEU 105 N -4.67 3.01 -0.12 7.52 1.43 0.79 -4.35 118.68 122.28 2e9h s LEU 105 Ca 0.00 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 2e9h s LEU 105 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2e9h s LEU 105 CO 0.00 -2.70 0.28 0.00 0.23 0.00 0.00 176.35 174.15 2e9h n PRO 107 N 2.93 0.49 0.00 0.00 -0.04 -1.26 0.19 135.00 137.31 2e9h n PRO 107 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2e9h n PRO 107 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.71 0.00 -0.04 0.54 -0.58 -1.26 -4.84 120.64 113.75 2e9h n GLU 108 Ca 0.05 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.82 2e9h n GLU 108 Cb 0.02 -0.53 0.04 0.00 -0.57 0.00 0.00 31.44 30.41 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 -0.74 -0.92 -2.75 0.00 -0.58 0.49 -4.73 120.64 111.42 2e9h n GLU 110 Ca 0.05 0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.47 2e9h n GLU 110 Cb 0.39 -3.82 -0.03 0.00 -0.57 0.00 0.00 31.44 27.42 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 -2.73 7.11 0.00 1.62 3.84 -1.26 -4.23 114.94 119.30 2e9h s ASN 111 Ca 0.63 1.37 0.13 0.00 0.21 0.00 0.00 52.86 55.20 2e9h s ASN 111 Cb -0.36 -2.52 0.77 0.00 -0.55 0.00 0.00 41.25 38.59 2e9h s ASN 111 CO 0.77 -0.49 1.20 -0.81 -2.79 0.00 0.00 177.10 174.98 2e9h n PRO 112 N 5.42 0.49 -3.78 0.43 -0.04 -1.26 -2.94 135.00 133.32 2e9h n PRO 112 Ca 0.08 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 2e9h n PRO 112 Cb 0.48 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.00 2.80 0.43 0.54 2.02 -1.26 -4.84 118.70 116.39 2e9h s GLU 113 Ca 0.19 -3.28 0.03 0.00 0.02 0.00 0.00 54.97 51.94 2e9h s GLU 113 Cb 0.09 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2e9h s GLU 113 CO 0.15 -1.27 0.05 0.95 0.02 0.00 0.00 175.26 175.16 2e9h s THR 114 N -1.34 1.16 0.13 3.63 -4.23 -1.26 -4.58 115.64 109.15 2e9h s THR 114 Ca 0.25 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 2e9h s THR 114 Cb -0.07 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2e9h s THR 114 CO -0.14 0.00 -0.18 -0.62 -0.54 0.00 0.00 174.62 173.14 2e9h s ASP 115 N -3.69 2.46 0.01 3.99 -1.08 -1.06 -5.01 116.67 112.28 2e9h s ASP 115 Ca 0.23 -0.77 0.08 0.00 -0.52 0.00 0.00 52.55 51.57 2e9h s ASP 115 Cb 0.05 -0.13 -0.02 0.00 -1.46 0.00 0.00 42.92 41.36 2e9h s ASP 115 CO 0.12 -0.02 -0.25 -0.76 0.52 0.00 0.00 175.17 174.77 2e9h s LEU 116 N -2.27 2.10 -0.06 -1.34 1.43 -1.26 -0.70 118.68 116.58 2e9h s LEU 116 Ca 0.10 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2e9h s LEU 116 Cb -0.08 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2e9h s LEU 116 CO 0.05 0.28 -0.19 -1.00 0.23 0.00 0.00 176.35 175.72 2e9h s HIS 117 N -0.69 1.96 0.02 0.29 3.76 0.15 -4.95 115.29 115.84 2e9h s HIS 117 Ca 0.10 -0.67 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 2e9h s HIS 117 Cb -0.10 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 2e9h s HIS 117 CO 0.00 -0.26 -0.01 0.54 -0.85 0.00 0.00 174.74 174.16 2e9h s VAL 118 N 0.22 4.01 -0.20 -0.90 0.11 -1.26 -1.35 120.40 121.02 2e9h s VAL 118 Ca -0.10 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2e9h s VAL 118 Cb -0.14 -2.81 0.05 0.00 -1.53 0.00 0.00 36.38 31.95 2e9h s VAL 118 CO 0.04 0.32 -0.07 0.20 -3.33 0.00 0.00 175.10 172.26 2e9h s ASN 119 N -1.71 3.36 0.17 3.54 0.01 -1.03 -5.01 114.94 114.27 2e9h s ASN 119 Ca 0.20 -0.91 -0.08 0.00 -0.71 0.00 0.00 52.86 51.36 2e9h s ASN 119 Cb -0.11 -1.10 0.03 0.00 0.41 0.00 0.00 41.25 40.48 2e9h s ASN 119 CO 0.12 -0.19 1.51 1.55 -1.51 0.00 0.00 177.10 178.57 2e9h h PRO 120 N 8.02 0.82 0.01 -0.60 0.13 -1.95 0.66 132.00 139.08 2e9h h PRO 120 Ca -0.23 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2e9h h PRO 120 Cb 1.09 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2e9h h PRO 120 CO 0.43 1.07 -0.00 -0.22 -0.23 0.00 0.00 178.00 179.05 2e9h h LYS 121 N 0.67 -0.01 0.00 0.86 1.63 -1.97 -3.31 116.57 114.43 2e9h h LYS 121 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2e9h h LYS 121 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2e9h h LYS 121 CO 0.09 0.18 0.00 -0.22 -3.45 0.00 0.00 179.45 176.05 2e9h h LYS 122 N -1.00 0.00 -4.52 1.90 1.63 -1.99 -3.45 116.57 109.13 2e9h h LYS 122 Ca -0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.45 2e9h h LYS 122 Cb 0.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2e9h h LYS 122 CO 0.00 0.00 -0.50 1.04 -3.45 0.00 0.00 179.45 176.54 2e9h n GLN 123 N -2.93 -3.30 -4.25 1.90 1.13 0.22 -4.96 117.38 105.19 2e9h n GLN 123 Ca -0.01 0.67 -0.21 0.00 -1.94 0.00 0.00 57.00 55.51 2e9h n GLN 123 Cb 0.16 -5.38 -0.12 0.00 0.11 0.00 0.00 30.24 25.01 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 -2.91 1.46 -0.10 5.09 -4.23 -1.20 -4.98 115.64 108.77 2e9h s THR 124 Ca 0.22 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2e9h s THR 124 Cb -0.11 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2e9h s THR 124 CO 0.28 -0.23 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.48 2e9h s ILE 125 N -1.57 4.15 -0.06 2.99 1.01 -1.26 -2.46 121.20 123.99 2e9h s ILE 125 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2e9h s ILE 125 Cb -0.08 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.67 2e9h s ILE 125 CO 0.04 0.57 0.14 -0.83 0.00 0.00 0.00 174.94 174.86 2e9h s GLY 126 N -0.56 -0.03 0.06 6.18 0.00 -0.46 -0.32 107.32 112.20 2e9h s GLY 126 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2e9h s GLY 126 CO 0.02 0.93 0.20 0.54 0.00 0.00 0.00 173.10 174.79 2e9h s ASN 127 N 1.08 6.32 -0.17 1.64 2.20 -0.97 0.34 114.94 125.39 2e9h s ASN 127 Ca -0.08 0.26 -0.01 0.00 -0.94 0.00 0.00 52.86 52.08 2e9h s ASN 127 Cb -0.11 -1.94 0.05 0.00 -2.00 0.00 0.00 41.25 37.25 2e9h s ASN 127 CO -0.05 0.17 -0.02 -0.94 -2.94 0.00 0.00 177.10 173.32 2e9h s SER 128 N -2.48 2.78 0.31 3.54 1.04 0.13 -2.70 113.70 116.32 2e9h s SER 128 Ca 0.34 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 2e9h s SER 128 Cb -0.13 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.15 2e9h s SER 128 CO 0.27 -0.22 0.56 0.00 0.98 0.00 0.00 173.24 174.83 2e9h n LYS 130 N -1.19 0.27 -0.38 0.00 3.00 -1.26 -3.42 118.16 115.19 2e9h n LYS 130 Ca -0.02 0.08 -0.05 0.00 -0.00 0.00 0.00 58.31 58.32 2e9h n LYS 130 Cb 0.54 -1.11 -0.01 0.00 0.00 0.00 0.00 35.03 34.46 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e9h h ALA 131 N -0.18 -0.09 0.00 3.14 0.00 -1.96 -3.06 119.26 117.12 2e9h h ALA 131 Ca -0.27 0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2e9h h ALA 131 Cb 1.34 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 20.19 2e9h h ALA 131 CO -0.10 -0.74 -2.11 0.00 0.00 0.00 0.00 179.25 176.30 2e9h n GLY 133 N 2.21 0.64 3.74 0.00 0.00 -1.16 -5.09 105.19 105.52 2e9h n GLY 133 Ca -0.29 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.56 3.44 -0.11 1.61 6.14 -1.22 -4.89 117.35 120.76 2e9h s TYR 134 Ca 0.00 0.43 -0.01 0.00 0.64 0.00 0.00 57.07 58.13 2e9h s TYR 134 Cb 0.00 -2.20 0.03 0.00 0.42 0.00 0.00 41.96 40.21 2e9h s TYR 134 CO 0.00 0.31 -0.01 1.03 0.64 0.00 0.00 175.55 177.51 2e9h s ARG 135 N 0.28 0.90 0.09 4.97 3.00 -1.26 -0.50 118.95 126.43 2e9h s ARG 135 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 55.73 55.70 2e9h s ARG 135 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 34.95 33.43 2e9h s ARG 135 CO 0.00 -0.37 0.14 0.41 0.00 0.00 0.00 175.30 175.49 2e9h n GLY 136 N 5.06 2.61 3.20 -3.53 0.00 -1.10 -5.04 105.19 106.39 2e9h n GLY 136 Ca -0.09 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.16 2.97 0.41 1.61 -1.94 -1.26 -2.28 119.30 116.65 2e9h s MET 137 Ca 0.07 -0.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.91 2e9h s MET 137 Cb -0.00 -2.87 -0.09 0.00 2.01 0.00 0.00 34.83 33.88 2e9h s MET 137 CO 0.05 -0.31 1.32 -0.51 -0.01 0.00 0.00 175.02 175.56 2e9h s LEU 138 N 1.34 4.19 -0.66 -0.03 1.43 0.57 -4.81 118.68 120.71 2e9h s LEU 138 Ca 0.02 2.69 -0.34 0.00 -1.03 0.00 0.00 54.13 55.47 2e9h s LEU 138 Cb -0.15 -3.91 -0.17 0.00 0.03 0.00 0.00 46.19 41.99 2e9h s LEU 138 CO -0.07 -0.91 2.41 -0.90 0.23 0.00 0.00 176.35 177.12 2e9h n ASP 139 N 0.06 1.11 -4.55 2.29 5.75 -1.26 -4.51 116.55 115.45 2e9h n ASP 139 Ca 0.04 0.24 -0.19 0.00 -0.01 0.00 0.00 54.79 54.87 2e9h n ASP 139 Cb 0.43 -1.09 -0.09 0.00 -1.03 0.00 0.00 41.12 39.34 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 7.28 -0.02 -0.12 2.12 -2.24 -1.26 -4.91 114.28 115.13 2e9h n THR 140 Ca 0.54 -0.54 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2e9h n THR 140 Cb 0.14 -1.84 0.08 0.00 -2.10 0.00 0.00 70.33 66.61 2e9h n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2e9h n HIS 141 N 16.32 -2.18 0.00 4.78 -0.00 -1.26 -4.97 115.22 127.90 2e9h n HIS 141 Ca 0.49 -0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2e9h n HIS 141 Cb 0.40 -0.46 0.00 0.00 -0.12 0.00 0.00 29.99 29.81 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2e9h n HIS 142 N -3.68 0.00 -0.10 1.57 8.25 -1.26 -4.51 115.22 115.49 2e9h n HIS 142 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 2e9h n HIS 142 Cb 0.17 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.05 0.67 0.00 -0.41 4.01 -1.26 -4.29 118.16 114.84 2e9h n LYS 143 Ca 0.00 0.18 -0.00 0.00 -0.51 0.00 0.00 58.31 57.97 2e9h n LYS 143 Cb 0.48 -1.56 -0.00 0.00 -0.51 0.00 0.00 35.03 33.44 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 -0.01 -0.02 -0.68 -0.35 5.85 -1.98 -3.22 115.31 114.90 2e9h h LEU 144 Ca -0.55 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.29 2e9h h LEU 144 Cb 1.92 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.84 2e9h h LEU 144 CO -0.06 0.04 -0.22 0.00 -0.34 0.00 0.00 178.44 177.86 2e9h h THR 146 N 0.00 0.64 -0.52 0.00 1.03 -1.75 0.18 112.91 112.48 2e9h h THR 146 Ca 0.28 -0.07 -0.10 0.00 -0.01 0.00 0.00 66.41 66.50 2e9h h THR 146 Cb 0.45 0.41 -0.02 0.00 -1.07 0.00 0.00 68.15 67.92 2e9h h THR 146 CO -0.69 0.04 -0.07 0.15 -0.01 0.00 0.00 175.52 174.95 2e9h h PHE 147 N 0.21 1.07 0.07 0.00 3.57 0.20 -2.29 116.94 119.77 2e9h h PHE 147 Ca 0.29 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2e9h h PHE 147 Cb 0.43 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2e9h h PHE 147 CO -0.27 1.00 -0.03 0.82 -2.23 0.00 0.00 178.31 177.60 2e9h h ILE 148 N 0.84 0.95 0.41 1.41 2.04 0.28 -1.95 117.51 121.49 2e9h h ILE 148 Ca 0.14 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2e9h h ILE 148 Cb 0.62 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2e9h h ILE 148 CO 0.04 0.02 -0.33 -0.07 0.00 0.00 0.00 178.15 177.81 2e9h h LEU 149 N -0.13 -0.88 -0.85 1.44 3.38 -0.68 -2.47 115.31 115.12 2e9h h LEU 149 Ca -0.01 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.23 2e9h h LEU 149 Cb 0.11 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 2e9h h LEU 149 CO 0.02 -0.49 0.32 0.11 0.09 0.00 0.00 178.44 178.49 2e9h h LYS 150 N -0.74 0.34 -3.90 1.13 1.57 -1.38 -3.32 116.57 110.27 2e9h h LYS 150 Ca -0.04 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 2e9h h LYS 150 Cb 0.64 -0.08 -0.40 0.00 0.08 0.00 0.00 32.23 32.48 2e9h h LYS 150 CO -0.02 0.23 -0.75 0.54 -0.57 0.00 0.00 179.45 178.88 2e9h s ASN 151 N -5.19 4.12 1.01 0.86 2.20 -0.74 -5.11 114.94 112.09 2e9h s ASN 151 Ca -0.12 -1.67 -0.13 0.00 -0.94 0.00 0.00 52.86 50.01 2e9h s ASN 151 Cb 0.24 -1.06 0.20 0.00 -2.00 0.00 0.00 41.25 38.63 2e9h s ASN 151 CO 0.77 -0.38 1.09 -2.16 -2.94 0.00 0.00 177.10 173.48 2e9h s PRO 152 N 1.44 0.30 0.05 3.55 0.04 -1.06 -4.50 135.00 134.82 2e9h s PRO 152 Ca 0.08 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.30 2e9h s PRO 152 Cb -0.18 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2e9h s PRO 152 CO -0.18 -2.81 1.41 -1.25 0.04 0.00 0.00 177.00 174.21 2e9h s PRO 153 N -4.96 4.29 0.67 0.56 0.04 -1.26 -5.02 135.00 129.32 2e9h s PRO 153 Ca 0.66 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.65 2e9h s PRO 153 Cb -0.19 -3.45 0.04 0.00 0.04 0.00 0.00 34.50 30.94 2e9h s PRO 153 CO 0.58 -0.53 0.99 -1.21 0.04 0.00 0.00 177.00 176.87 2e9h s GLU 154 N 1.91 2.53 0.04 4.56 0.41 -1.26 -5.03 118.70 121.86 2e9h s GLU 154 Ca 0.65 -0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.85 2e9h s GLU 154 Cb -0.34 -2.18 -0.05 0.00 -1.78 0.00 0.00 34.13 29.79 2e9h s GLU 154 CO 0.28 -1.03 1.11 1.21 -0.49 0.00 0.00 175.26 176.34 2e9h s ASN 155 N -4.42 7.20 -0.14 -0.19 2.47 -1.26 -4.95 114.94 113.66 2e9h s ASN 155 Ca 0.58 1.87 -0.31 0.00 0.42 0.00 0.00 52.86 55.42 2e9h s ASN 155 Cb -0.11 -2.58 -0.08 0.00 -1.45 0.00 0.00 41.25 37.03 2e9h s ASN 155 CO 0.46 -0.38 2.08 -1.54 -3.72 0.00 0.00 177.10 174.00 2e9h n SER 156 N 3.89 3.41 -0.64 -4.21 3.41 -1.26 -5.24 113.62 112.98 2e9h n SER 156 Ca 0.08 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2e9h n SER 156 Cb 0.48 -1.47 0.39 0.00 -0.26 0.00 0.00 64.21 63.35 2e9h n SER 156 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21