#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h n SER 2 N 0.00 2.95 -0.00 1.61 2.88 -1.26 -4.79 113.62 115.01 2e9h n SER 2 Ca 0.00 -2.96 -0.17 0.00 -1.33 0.00 0.00 58.87 54.40 2e9h n SER 2 Cb 0.00 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 62.87 2e9h n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2e9h h SER 3 N 2.62 0.31 -0.36 -3.46 0.02 -2.11 -3.41 113.55 107.16 2e9h h SER 3 Ca 0.08 -0.90 -0.25 0.00 -0.84 0.00 0.00 61.79 59.89 2e9h h SER 3 Cb 1.23 -0.10 -0.28 0.00 0.14 0.00 0.00 62.40 63.39 2e9h h SER 3 CO 0.54 1.18 -0.74 0.61 -1.14 0.00 0.00 176.83 177.28 2e9h n GLY 4 N 1.42 1.68 3.60 -3.77 0.00 -1.26 -5.09 105.19 101.77 2e9h n GLY 4 Ca -0.11 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.33 5.98 0.00 1.61 0.15 -1.26 -4.76 113.70 113.08 2e9h s SER 5 Ca 0.21 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2e9h s SER 5 Cb 0.41 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2e9h s SER 5 CO -0.06 -1.64 0.00 -1.54 1.20 0.00 0.00 173.24 171.20 2e9h n SER 6 N 9.98 4.48 0.00 5.45 3.41 -1.26 -5.09 113.62 130.59 2e9h n SER 6 Ca 0.22 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2e9h n SER 6 Cb 0.47 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 2e9h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9h n GLY 7 N 2.34 3.25 3.87 5.00 0.00 -1.26 -5.08 105.19 113.31 2e9h n GLY 7 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2e9h n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 8 N -2.94 3.50 -0.15 1.61 0.00 -1.26 -4.82 119.30 115.23 2e9h s MET 8 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 55.69 56.13 2e9h s MET 8 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 34.83 32.74 2e9h s MET 8 CO 0.00 -0.63 0.89 -1.54 0.00 0.00 0.00 175.02 173.73 2e9h s SER 9 N -4.20 7.05 0.46 -1.18 1.04 -1.26 -4.16 113.70 111.44 2e9h s SER 9 Ca 0.55 1.29 0.02 0.00 0.48 0.00 0.00 55.95 58.29 2e9h s SER 9 Cb -0.11 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.59 2e9h s SER 9 CO 0.54 -0.41 0.46 1.33 0.98 0.00 0.00 173.24 176.13 2e9h n VAL 10 N 4.67 0.00 -2.92 5.02 0.24 -1.06 -4.85 118.33 119.42 2e9h n VAL 10 Ca 0.06 -0.83 -0.36 0.00 -2.04 0.00 0.00 64.34 61.17 2e9h n VAL 10 Cb 0.49 -1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 2e9h n VAL 10 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2e9h s ASN 11 N -2.92 7.14 0.34 -1.34 0.01 -1.26 -2.36 114.94 114.54 2e9h s ASN 11 Ca 0.32 1.63 0.19 0.00 -0.71 0.00 0.00 52.86 54.29 2e9h s ASN 11 Cb -0.02 -2.50 1.22 0.00 0.41 0.00 0.00 41.25 40.35 2e9h s ASN 11 CO 0.21 -0.10 1.42 0.52 -1.51 0.00 0.00 177.10 177.64 2e9h n VAL 12 N 0.33 -0.37 -4.23 1.60 0.31 -1.24 -4.28 118.33 110.45 2e9h n VAL 12 Ca 0.02 1.81 -0.28 0.00 -0.01 0.00 0.00 64.34 65.87 2e9h n VAL 12 Cb 0.51 -2.94 -0.09 0.00 -0.91 0.00 0.00 33.84 30.41 2e9h n VAL 12 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2e9h s ASN 13 N -4.55 4.48 -0.07 4.52 0.01 -1.26 -5.00 114.94 113.07 2e9h s ASN 13 Ca -0.08 -0.44 -0.23 0.00 -0.71 0.00 0.00 52.86 51.41 2e9h s ASN 13 Cb 0.30 -0.86 -0.30 0.00 0.41 0.00 0.00 41.25 40.80 2e9h s ASN 13 CO 0.70 0.13 0.85 0.03 -1.51 0.00 0.00 177.10 177.30 2e9h h ARG 14 N 3.17 0.25 -0.97 -0.60 2.47 -2.02 -3.32 114.38 113.37 2e9h h ARG 14 Ca -0.48 -0.42 0.31 0.00 -1.26 0.00 0.00 59.98 58.12 2e9h h ARG 14 Cb 1.19 0.16 -0.15 0.00 -1.65 0.00 0.00 29.97 29.51 2e9h h ARG 14 CO 0.54 1.20 0.44 1.03 0.56 0.00 0.00 179.97 183.75 2e9h h SER 15 N -0.47 0.29 -3.41 7.04 0.87 -1.96 -3.37 113.55 112.53 2e9h h SER 15 Ca -0.13 0.21 -0.55 0.00 -1.23 0.00 0.00 61.79 60.09 2e9h h SER 15 Cb 1.55 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.68 2e9h h SER 15 CO 0.12 -0.19 0.20 0.54 -0.53 0.00 0.00 176.83 176.97 2e9h s VAL 16 N -5.75 4.87 -0.33 2.23 0.11 -1.25 -4.97 120.40 115.32 2e9h s VAL 16 Ca -0.11 1.71 0.16 0.00 -2.93 0.00 0.00 61.98 60.81 2e9h s VAL 16 Cb 0.29 -4.16 0.46 0.00 -1.53 0.00 0.00 36.38 31.45 2e9h s VAL 16 CO 0.78 0.27 1.03 -1.20 -3.33 0.00 0.00 175.10 172.65 2e9h n SER 17 N 3.45 2.33 -4.61 3.54 7.64 -1.26 -4.74 113.62 119.98 2e9h n SER 17 Ca 0.01 -2.83 -0.24 0.00 1.01 0.00 0.00 58.87 56.82 2e9h n SER 17 Cb 0.51 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 2e9h n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2e9h s ASP 18 N -3.38 4.22 -0.61 6.43 -1.08 -1.26 -5.04 116.67 115.95 2e9h s ASP 18 Ca 0.33 -0.86 -0.02 0.00 -0.52 0.00 0.00 52.55 51.48 2e9h s ASP 18 Cb 0.42 -0.61 0.31 0.00 -1.46 0.00 0.00 42.92 41.58 2e9h s ASP 18 CO -0.02 -0.09 2.15 0.00 0.52 0.00 0.00 175.17 177.74 2e9h n GLN 19 N -0.87 2.48 0.00 4.34 10.64 -1.26 -4.18 117.38 128.53 2e9h n GLN 19 Ca -0.05 -2.85 0.00 0.00 -1.83 0.00 0.00 57.00 52.27 2e9h n GLN 19 Cb 0.60 -2.13 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 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 -0.27 0.00 -1.37 2.61 3.72 -1.26 -5.01 117.46 115.88 2e9h n PHE 20 Ca 0.52 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 57.37 2e9h n PHE 20 Cb 0.51 0.00 -0.09 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 -2.39 1.43 0.24 1.38 4.19 -1.26 -4.85 117.16 115.90 2e9h n TYR 21 Ca 0.00 0.47 -0.09 0.00 3.31 0.00 0.00 57.90 61.59 2e9h n TYR 21 Cb 0.48 -2.44 -0.05 0.00 0.49 0.00 0.00 39.34 37.83 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 11.01 -0.59 -6.65 2.98 1.12 -1.97 -3.42 114.38 116.85 2e9h h ARG 22 Ca -0.20 0.04 -0.53 0.00 -1.11 0.00 0.00 59.98 58.17 2e9h h ARG 22 Cb 1.36 0.14 0.06 0.00 -0.01 0.00 0.00 29.97 31.52 2e9h h ARG 22 CO 1.05 -0.40 0.95 0.66 -3.11 0.00 0.00 179.97 179.12 2e9h n TYR 23 N -3.66 2.69 -4.17 2.20 4.01 -1.26 -5.00 117.16 111.96 2e9h n TYR 23 Ca -0.08 0.11 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 2e9h n TYR 23 Cb 0.24 -2.64 -0.10 0.00 -0.31 0.00 0.00 39.34 36.53 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 0.84 0.85 -0.03 -0.72 -0.14 -1.26 -3.64 119.74 115.64 2e9h s LYS 24 Ca 0.74 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 2e9h s LYS 24 Cb -0.53 -0.41 0.02 0.00 -1.68 0.00 0.00 37.83 35.23 2e9h s LYS 24 CO 0.36 0.04 0.05 0.00 -0.76 0.00 0.00 175.35 175.05 2e9h s MET 25 N -3.19 0.02 0.01 1.68 0.23 -1.00 -4.88 119.30 112.18 2e9h s MET 25 Ca 0.08 0.16 -0.30 0.00 -1.03 0.00 0.00 55.69 54.59 2e9h s MET 25 Cb 0.00 -0.11 -0.06 0.00 -1.53 0.00 0.00 34.83 33.14 2e9h s MET 25 CO -0.02 -0.09 1.44 -1.25 -2.03 0.00 0.00 175.02 173.07 2e9h s PRO 26 N 0.58 4.27 -0.11 3.16 0.04 -1.26 -2.57 135.00 139.11 2e9h s PRO 26 Ca -0.05 2.02 -0.38 0.00 0.04 0.00 0.00 61.00 62.63 2e9h s PRO 26 Cb -0.07 -3.57 -0.16 0.00 0.04 0.00 0.00 34.50 30.75 2e9h s PRO 26 CO -0.02 -0.59 1.60 0.54 0.04 0.00 0.00 177.00 178.57 2e9h n ARG 27 N 5.35 1.27 -1.64 4.56 1.74 -1.26 -4.71 116.66 121.97 2e9h n ARG 27 Ca 0.13 0.46 -0.38 0.00 -0.77 0.00 0.00 57.85 57.30 2e9h n ARG 27 Cb 0.43 -2.15 0.06 0.00 -1.02 0.00 0.00 32.46 29.78 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2e9h n LEU 28 N 4.34 4.15 -4.29 0.55 -0.00 -1.26 -5.00 117.00 115.48 2e9h n LEU 28 Ca 0.23 0.81 -0.29 0.00 -0.00 0.00 0.00 56.01 56.76 2e9h n LEU 28 Cb 0.17 -1.42 -0.15 0.00 -0.00 0.00 0.00 43.42 42.02 2e9h n LEU 28 CO 0.73 -1.69 -0.56 -0.63 -0.00 0.00 0.00 177.39 175.24 2e9h s ILE 29 N -1.49 1.95 0.04 1.47 1.01 -1.26 -4.97 121.20 117.95 2e9h s ILE 29 Ca 0.77 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 60.33 2e9h s ILE 29 Cb -0.41 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2e9h s ILE 29 CO 0.46 0.46 -0.17 0.00 0.00 0.00 0.00 174.94 175.69 2e9h s ALA 30 N -0.66 1.41 0.00 9.38 0.00 -1.26 -2.39 121.76 128.25 2e9h s ALA 30 Ca 0.10 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2e9h s ALA 30 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2e9h s ALA 30 CO 0.00 0.29 -0.25 0.21 0.00 0.00 0.00 175.76 176.01 2e9h s LYS 31 N -1.16 2.03 0.01 0.00 2.20 0.06 -4.82 119.74 118.06 2e9h s LYS 31 Ca 0.04 -0.98 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 2e9h s LYS 31 Cb -0.08 -2.05 -0.01 0.00 -1.51 0.00 0.00 37.83 34.18 2e9h s LYS 31 CO 0.01 0.55 -0.06 0.08 -0.36 0.00 0.00 175.35 175.57 2e9h s VAL 32 N -0.70 0.45 0.04 4.02 1.01 -1.26 -0.53 120.40 123.42 2e9h s VAL 32 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2e9h s VAL 32 Cb -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2e9h s VAL 32 CO 0.00 -0.03 -0.04 -1.61 0.00 0.00 0.00 175.10 173.42 2e9h s GLU 33 N -0.55 0.45 0.42 2.72 2.02 -1.26 -5.03 118.70 117.46 2e9h s GLU 33 Ca -0.02 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2e9h s GLU 33 Cb -0.04 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2e9h s GLU 33 CO -0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2e9h n GLY 34 N 1.11 -2.25 2.78 -1.39 0.00 -1.26 -3.87 105.19 100.31 2e9h n GLY 34 Ca -0.21 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2e9h n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9h s LYS 35 N -3.82 0.86 0.00 1.61 3.01 -1.26 -4.40 119.74 115.74 2e9h s LYS 35 Ca 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 55.97 53.95 2e9h s LYS 35 Cb 0.00 -2.16 0.00 0.00 -1.01 0.00 0.00 37.83 34.66 2e9h s LYS 35 CO 0.00 -0.88 0.00 0.41 0.51 0.00 0.00 175.35 175.39 2e9h n GLY 36 N 4.82 2.55 1.60 -3.33 0.00 -1.26 -4.78 105.19 104.79 2e9h n GLY 36 Ca -0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.88 4.65 0.00 1.61 3.02 -1.26 -4.49 115.26 119.67 2e9h n ASN 37 Ca 0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 2e9h n ASN 37 Cb 0.00 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 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 0.27 1.86 3.65 7.41 0.00 -1.26 -4.99 105.19 112.12 2e9h n GLY 38 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.25 -4.84 121.20 118.58 2e9h s ILE 39 Ca 0.00 1.21 -0.02 0.00 -1.41 0.00 0.00 60.65 60.43 2e9h s ILE 39 Cb 0.00 -3.86 -0.00 0.00 0.13 0.00 0.00 42.46 38.73 2e9h s ILE 39 CO 0.00 -0.20 0.04 -1.59 -1.91 0.00 0.00 174.94 171.28 2e9h s LYS 40 N 3.89 0.17 -0.06 3.50 -2.85 -1.26 -3.51 119.74 119.62 2e9h s LYS 40 Ca 0.61 -0.15 -0.24 0.00 -1.00 0.00 0.00 55.97 55.19 2e9h s LYS 40 Cb -0.24 0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 2e9h s LYS 40 CO 0.21 -0.03 0.72 0.99 0.10 0.00 0.00 175.35 177.34 2e9h s THR 41 N -0.50 5.03 -0.27 3.79 2.01 -0.38 -4.23 115.64 121.09 2e9h s THR 41 Ca -0.06 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2e9h s THR 41 Cb -0.04 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2e9h s THR 41 CO -0.00 0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.42 2e9h s VAL 42 N 0.81 2.59 -0.97 3.82 1.01 0.31 0.00 120.40 127.97 2e9h s VAL 42 Ca 0.39 -1.42 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 2e9h s VAL 42 Cb -0.18 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2e9h s VAL 42 CO 0.19 0.00 1.43 -0.63 0.00 0.00 0.00 175.10 176.09 2e9h s ILE 43 N 1.20 3.87 0.12 2.22 1.01 -1.09 -0.76 121.20 127.77 2e9h s ILE 43 Ca -0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2e9h s ILE 43 Cb -0.19 -5.00 -0.04 0.00 0.01 0.00 0.00 42.46 37.23 2e9h s ILE 43 CO -0.04 -1.90 1.49 0.58 0.00 0.00 0.00 174.94 175.08 2e9h h VAL 44 N 6.68 1.28 -0.51 2.92 2.07 -1.75 -3.04 116.25 123.90 2e9h h VAL 44 Ca 0.11 -1.33 -0.33 0.00 0.82 0.00 0.00 66.70 65.97 2e9h h VAL 44 Cb 1.02 1.34 -0.15 0.00 -1.52 0.00 0.00 31.29 31.98 2e9h h VAL 44 CO 1.40 0.44 0.43 -3.20 0.02 0.00 0.00 177.57 176.65 2e9h n ASN 45 N -4.27 6.04 -0.05 0.57 5.15 -1.23 -4.39 115.26 117.09 2e9h n ASN 45 Ca -0.02 -3.06 -0.10 0.00 -0.60 0.00 0.00 54.58 50.79 2e9h n ASN 45 Cb 0.42 -0.99 -0.09 0.00 -0.53 0.00 0.00 39.78 38.59 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 1.35 -0.01 -0.57 1.20 1.85 -1.82 -3.09 114.93 113.84 2e9h h MET 46 Ca 0.31 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.31 2e9h h MET 46 Cb 1.07 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 2e9h h MET 46 CO 0.77 0.69 -0.02 0.28 -0.40 0.00 0.00 176.91 178.23 2e9h h VAL 47 N -0.97 1.27 0.06 -5.77 2.07 -1.84 -2.73 116.25 108.34 2e9h h VAL 47 Ca -0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2e9h h VAL 47 Cb 0.71 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2e9h h VAL 47 CO 0.00 0.41 -0.05 0.44 0.02 0.00 0.00 177.57 178.40 2e9h h ASP 48 N 0.90 -0.13 -0.82 0.57 5.19 -1.84 -1.93 116.42 118.36 2e9h h ASP 48 Ca 0.16 0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.75 2e9h h ASP 48 Cb 0.57 0.04 -0.15 0.00 0.18 0.00 0.00 39.33 39.97 2e9h h ASP 48 CO 0.03 -0.07 -0.15 -0.37 -3.12 0.00 0.00 179.24 175.56 2e9h h VAL 49 N -0.11 0.20 -0.39 -1.35 -1.51 -1.62 0.24 116.25 111.71 2e9h h VAL 49 Ca -0.01 -0.01 0.08 0.00 -1.23 0.00 0.00 66.70 65.54 2e9h h VAL 49 Cb 0.09 0.18 -0.09 0.00 -2.13 0.00 0.00 31.29 29.34 2e9h h VAL 49 CO 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 177.57 176.05 2e9h h ALA 50 N 1.81 -0.12 -0.89 5.19 0.00 -1.36 -0.11 119.26 123.77 2e9h h ALA 50 Ca 0.41 0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.67 2e9h h ALA 50 Cb 0.66 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2e9h h ALA 50 CO -0.81 -0.69 0.33 -0.22 0.00 0.00 0.00 179.25 177.85 2e9h h LYS 51 N -0.23 0.28 -0.88 0.00 3.64 -0.13 0.47 116.57 119.72 2e9h h LYS 51 Ca 0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2e9h h LYS 51 Cb 0.52 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2e9h h LYS 51 CO -0.52 0.19 0.57 0.00 -2.27 0.00 0.00 179.45 177.42 2e9h h ALA 52 N 1.76 1.36 -0.16 5.00 0.00 -0.84 -0.31 119.26 126.06 2e9h h ALA 52 Ca 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2e9h h ALA 52 Cb 1.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2e9h h ALA 52 CO -0.60 0.59 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2e9h n LEU 53 N -4.39 0.88 -2.05 0.00 4.77 0.16 -4.87 117.00 111.50 2e9h n LEU 53 Ca 0.10 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 2e9h n LEU 53 Cb 0.03 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2e9h n LEU 53 CO 0.37 0.22 -0.15 0.59 -1.33 0.00 0.00 177.39 177.08 2e9h n ASN 54 N -0.03 -3.90 -4.16 -1.43 4.13 -0.13 -4.93 115.26 104.81 2e9h n ASN 54 Ca 0.06 0.23 -0.17 0.00 1.68 0.00 0.00 54.58 56.38 2e9h n ASN 54 Cb 0.14 -3.42 -0.12 0.00 -1.54 0.00 0.00 39.78 34.85 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 -4.33 0.78 0.58 3.52 0.52 -1.00 -5.01 118.95 114.02 2e9h s ARG 55 Ca 0.00 -0.95 -0.18 0.00 -0.52 0.00 0.00 55.73 54.08 2e9h s ARG 55 Cb 0.00 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 2e9h s ARG 55 CO 0.00 0.16 1.12 -1.25 0.02 0.00 0.00 175.30 175.35 2e9h s PRO 56 N -1.83 3.20 0.42 3.54 0.04 -1.26 -3.84 135.00 135.27 2e9h s PRO 56 Ca -0.02 1.54 0.29 0.00 0.04 0.00 0.00 61.00 62.85 2e9h s PRO 56 Cb -0.09 -1.99 1.21 0.00 0.04 0.00 0.00 34.50 33.67 2e9h s PRO 56 CO 0.02 -0.96 1.87 -1.00 0.04 0.00 0.00 177.00 176.96 2e9h h PRO 57 N 0.86 0.00 0.00 0.56 0.13 -1.90 -2.90 132.00 128.75 2e9h h PRO 57 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2e9h h PRO 57 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2e9h h PRO 57 CO 0.56 0.00 -0.14 1.79 -0.23 0.00 0.00 178.00 179.98 2e9h h THR 58 N 0.00 0.83 0.44 1.56 1.35 -1.96 0.24 112.91 115.36 2e9h h THR 58 Ca 0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 2e9h h THR 58 Cb 0.43 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2e9h h THR 58 CO 0.00 0.14 -0.21 1.88 -0.25 0.00 0.00 175.52 177.08 2e9h h TYR 59 N 0.00 -0.54 0.06 4.73 0.05 -1.90 -3.02 116.97 116.35 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 0.30 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2e9h h TYR 59 CO 0.00 -0.27 -0.03 -1.00 -1.05 0.00 0.00 178.16 175.81 2e9h h PRO 60 N -1.09 -0.08 -0.85 4.88 0.13 -1.70 -2.87 132.00 130.42 2e9h h PRO 60 Ca -0.06 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.29 2e9h h PRO 60 Cb 0.52 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.53 2e9h h PRO 60 CO 0.10 0.38 0.18 1.15 -0.23 0.00 0.00 178.00 179.58 2e9h h THR 61 N -0.57 0.33 -0.36 1.56 2.02 -0.69 0.14 112.91 115.34 2e9h h THR 61 Ca -0.01 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2e9h h THR 61 Cb 0.49 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2e9h h THR 61 CO 0.01 0.04 0.05 0.11 0.37 0.00 0.00 175.52 176.09 2e9h h LYS 62 N 0.19 0.60 -0.47 6.66 1.79 -1.56 -3.14 116.57 120.64 2e9h h LYS 62 Ca 0.52 -0.17 0.09 0.00 -2.18 0.00 0.00 60.65 58.91 2e9h h LYS 62 Cb 1.00 -0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.49 2e9h h LYS 62 CO -0.65 0.68 -0.26 -0.92 -1.08 0.00 0.00 179.45 177.22 2e9h h TYR 63 N 0.43 -0.68 -0.54 -1.35 3.20 -0.50 -0.38 116.97 117.15 2e9h h TYR 63 Ca 0.11 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.14 2e9h h TYR 63 Cb 0.38 0.37 -0.11 0.00 1.54 0.00 0.00 36.73 38.91 2e9h h TYR 63 CO 0.03 -0.33 -0.25 0.74 -1.64 0.00 0.00 178.16 176.70 2e9h h PHE 64 N -0.16 -0.66 -0.30 -3.82 0.04 -1.37 0.19 116.94 110.87 2e9h h PHE 64 Ca 0.21 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 61.01 2e9h h PHE 64 Cb 0.50 0.37 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 2e9h h PHE 64 CO -0.52 -0.33 0.05 0.78 -0.60 0.00 0.00 178.31 177.69 2e9h h GLY 65 N -0.12 0.46 0.68 -1.45 0.00 -1.25 -0.78 103.07 100.61 2e9h h GLY 65 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2e9h h GLY 65 CO -0.62 0.22 -0.07 0.00 0.00 0.00 0.00 176.54 176.07 2e9h h GLU 67 N -0.53 -0.03 0.00 0.00 5.08 -0.79 -2.82 114.58 115.49 2e9h h GLU 67 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2e9h h GLU 67 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2e9h h GLU 67 CO 0.03 0.10 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.63 2e9h h LEU 68 N -0.15 0.00 0.47 1.33 3.38 -1.20 -3.47 115.31 115.67 2e9h h LEU 68 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2e9h h LEU 68 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 2e9h h LEU 68 CO 0.01 0.43 -0.21 0.61 0.09 0.00 0.00 178.44 179.37 2e9h n GLY 69 N 0.23 0.16 3.81 0.83 0.00 0.41 -5.04 105.19 105.60 2e9h n GLY 69 Ca -0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.60 4.09 0.41 4.61 0.00 -0.67 -5.01 121.76 122.59 2e9h s ALA 70 Ca 0.06 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 2e9h s ALA 70 Cb -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 2e9h s ALA 70 CO 0.08 -0.24 0.77 -1.14 0.00 0.00 0.00 175.76 175.23 2e9h s GLN 71 N -4.05 3.77 0.07 0.00 2.00 -1.26 -4.70 119.66 115.49 2e9h s GLN 71 Ca 0.28 0.47 0.01 0.00 -2.00 0.00 0.00 55.36 54.12 2e9h s GLN 71 Cb 0.01 -2.39 -0.04 0.00 0.80 0.00 0.00 33.01 31.39 2e9h s GLN 71 CO 0.16 -0.04 -0.06 0.95 -0.50 0.00 0.00 175.29 175.80 2e9h s THR 72 N -2.38 0.56 -0.13 -0.34 -4.23 -1.26 -0.82 115.64 107.05 2e9h s THR 72 Ca 0.51 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2e9h s THR 72 Cb -0.10 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 2e9h s THR 72 CO 0.32 -0.73 -0.17 -1.58 -0.54 0.00 0.00 174.62 171.92 2e9h s GLN 73 N -3.06 3.25 -0.30 3.99 0.74 -0.31 -4.99 119.66 118.97 2e9h s GLN 73 Ca 0.03 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 2e9h s GLN 73 Cb 0.00 -2.54 0.06 0.00 1.10 0.00 0.00 33.01 31.63 2e9h s GLN 73 CO -0.04 0.15 -0.00 -0.06 -0.55 0.00 0.00 175.29 174.79 2e9h s PHE 74 N 0.49 3.30 -0.54 1.67 0.40 -1.26 -2.62 117.98 119.40 2e9h s PHE 74 Ca -0.11 -1.99 0.04 0.00 -0.60 0.00 0.00 56.93 54.26 2e9h s PHE 74 Cb -0.16 -2.17 0.16 0.00 0.51 0.00 0.00 43.02 41.35 2e9h s PHE 74 CO 0.05 -0.83 0.36 -0.51 0.70 0.00 0.00 175.22 174.99 2e9h s ASP 75 N 1.26 3.68 0.38 1.36 1.11 -1.08 -4.95 116.67 118.43 2e9h s ASP 75 Ca -0.04 -3.24 0.05 0.00 0.18 0.00 0.00 52.55 49.49 2e9h s ASP 75 Cb -0.20 -1.19 0.74 0.00 1.07 0.00 0.00 42.92 43.33 2e9h s ASP 75 CO -0.02 -0.17 2.03 0.58 1.18 0.00 0.00 175.17 178.77 2e9h h VAL 76 N 4.80 1.13 -0.83 -1.27 2.07 -1.94 -0.62 116.25 119.58 2e9h h VAL 76 Ca 0.11 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.54 2e9h h VAL 76 Cb 0.85 0.34 -0.16 0.00 -1.52 0.00 0.00 31.29 30.80 2e9h h VAL 76 CO 0.57 0.13 -0.25 0.11 0.02 0.00 0.00 177.57 178.15 2e9h h LYS 77 N 0.73 -0.02 -0.30 1.57 1.57 -1.95 0.15 116.57 118.31 2e9h h LYS 77 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2e9h h LYS 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2e9h h LYS 77 CO -0.05 -0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.91 2e9h n ASN 78 N -5.53 4.03 -4.43 0.86 3.02 -1.05 -4.96 115.26 107.20 2e9h n ASN 78 Ca 0.11 -2.93 -0.38 0.00 -0.03 0.00 0.00 54.58 51.35 2e9h n ASN 78 Cb 0.42 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.89 -4.38 6.41 8.00 0.51 -4.90 116.55 120.99 2e9h n ASP 79 Ca 0.21 -1.24 -0.33 0.00 0.71 0.00 0.00 54.79 54.14 2e9h n ASP 79 Cb 0.89 -1.71 -0.14 0.00 -0.02 0.00 0.00 41.12 40.15 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 -0.10 -1.24 1.70 -0.70 -4.86 118.95 109.90 2e9h s ARG 80 Ca 0.52 -0.66 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 2e9h s ARG 80 Cb -0.30 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 2e9h s ARG 80 CO 1.01 0.17 -0.23 0.71 -1.08 0.00 0.00 175.30 175.88 2e9h s TYR 81 N 0.47 2.47 0.08 5.89 1.51 -1.26 -2.64 117.35 123.87 2e9h s TYR 81 Ca -0.08 -1.03 0.09 0.00 -1.01 0.00 0.00 57.07 55.04 2e9h s TYR 81 Cb -0.15 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2e9h s TYR 81 CO 0.04 -0.43 -0.24 0.42 -1.11 0.00 0.00 175.55 174.23 2e9h s ILE 82 N 0.42 2.01 -0.16 2.71 1.01 -1.08 -2.67 121.20 123.43 2e9h s ILE 82 Ca -0.17 -1.49 -0.00 0.00 0.00 0.00 0.00 60.65 58.98 2e9h s ILE 82 Cb -0.18 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.58 2e9h s ILE 82 CO 0.07 0.18 -0.05 -0.69 0.00 0.00 0.00 174.94 174.45 2e9h s VAL 83 N -0.94 1.11 0.23 2.92 1.01 0.10 -1.16 120.40 123.66 2e9h s VAL 83 Ca 0.11 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.17 2e9h s VAL 83 Cb -0.10 -1.27 -0.13 0.00 0.00 0.00 0.00 36.38 34.88 2e9h s VAL 83 CO 0.04 0.15 1.48 0.59 0.00 0.00 0.00 175.10 177.35 2e9h n ASN 84 N 4.88 3.01 0.00 3.32 4.13 0.00 -1.44 115.26 129.17 2e9h n ASN 84 Ca -0.12 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.27 2e9h n ASN 84 Cb 0.48 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 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 2.48 2.41 3.69 7.41 0.00 -1.23 -4.67 105.19 115.29 2e9h n GLY 85 Ca 0.12 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 6.92 -0.16 1.61 0.15 -1.25 -1.25 113.70 119.71 2e9h s SER 86 Ca 0.00 1.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 2e9h s SER 86 Cb 0.00 -2.41 0.08 0.00 -1.71 0.00 0.00 66.02 61.98 2e9h s SER 86 CO 0.00 -0.23 0.32 -1.00 1.20 0.00 0.00 173.24 173.53 2e9h s HIS 87 N 1.43 -0.56 0.25 3.44 3.76 -1.26 -4.97 115.29 117.37 2e9h s HIS 87 Ca 0.36 1.11 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2e9h s HIS 87 Cb -0.17 0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.49 2e9h s HIS 87 CO 0.15 -0.43 1.23 -1.83 -0.85 0.00 0.00 174.74 173.02 2e9h s GLU 88 N 2.49 4.46 0.30 1.40 -1.05 -1.26 -4.82 118.70 120.21 2e9h s GLU 88 Ca 0.01 1.99 -0.02 0.00 -0.15 0.00 0.00 54.97 56.80 2e9h s GLU 88 Cb -0.12 -3.17 0.63 0.00 -0.44 0.00 0.00 34.13 31.03 2e9h s GLU 88 CO -0.10 -0.09 1.57 0.00 0.95 0.00 0.00 175.26 177.59 2e9h h ALA 89 N 4.49 0.97 -0.78 -0.84 0.00 -1.94 0.48 119.26 121.65 2e9h h ALA 89 Ca -0.46 0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2e9h h ALA 89 Cb 1.22 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 2e9h h ALA 89 CO 0.71 -0.50 -0.03 -0.91 0.00 0.00 0.00 179.25 178.53 2e9h h ASN 90 N 0.01 -0.42 0.01 0.00 2.35 -1.93 -0.48 115.58 115.12 2e9h h ASN 90 Ca 0.55 0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 56.51 2e9h h ASN 90 Cb 1.03 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2e9h h ASN 90 CO -0.95 -0.21 -0.00 0.50 -1.65 0.00 0.00 177.43 175.12 2e9h h LYS 91 N 0.08 -0.01 -0.71 0.81 3.64 -0.42 -2.79 116.57 117.17 2e9h h LYS 91 Ca 0.42 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.94 2e9h h LYS 91 Cb 0.74 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.43 2e9h h LYS 91 CO -0.71 0.36 -0.20 -0.07 -2.27 0.00 0.00 179.45 176.56 2e9h h LEU 92 N -0.37 -0.74 -0.87 5.20 3.38 -0.43 0.26 115.31 121.74 2e9h h LEU 92 Ca -0.00 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2e9h h LEU 92 Cb 0.37 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2e9h h LEU 92 CO 0.00 -0.25 0.57 -0.61 0.09 0.00 0.00 178.44 178.24 2e9h h GLN 93 N -0.02 1.16 -0.65 1.13 -0.00 -1.17 0.10 115.11 115.67 2e9h h GLN 93 Ca 0.34 -0.08 0.05 0.00 -0.00 0.00 0.00 58.65 58.96 2e9h h GLN 93 Cb 0.53 -0.26 -0.05 0.00 0.00 0.00 0.00 27.48 27.71 2e9h h GLN 93 CO -0.74 0.77 0.37 -0.44 0.00 0.00 0.00 178.83 178.79 2e9h h ASP 94 N 1.19 0.57 0.16 -0.69 3.32 -0.25 -1.95 116.42 118.77 2e9h h ASP 94 Ca 0.32 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2e9h h ASP 94 Cb -0.12 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2e9h h ASP 94 CO -0.07 0.38 -0.08 0.24 -1.72 0.00 0.00 179.24 178.00 2e9h h MET 95 N 0.71 -0.21 -0.97 3.56 2.86 -0.72 -3.26 114.93 116.90 2e9h h MET 95 Ca 0.28 0.01 0.32 0.00 -2.06 0.00 0.00 59.70 58.25 2e9h h MET 95 Cb 0.12 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.66 2e9h h MET 95 CO -0.15 0.22 0.38 1.25 1.06 0.00 0.00 176.91 179.67 2e9h h LEU 96 N -0.84 0.16 -0.83 1.22 5.85 -0.72 -0.79 115.31 119.35 2e9h h LEU 96 Ca -0.02 0.23 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2e9h h LEU 96 Cb 0.53 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 2e9h h LEU 96 CO 0.04 -0.26 -0.45 -0.67 -0.34 0.00 0.00 178.44 176.76 2e9h n ASP 97 N -5.23 -0.79 -0.33 1.25 -0.08 -0.74 0.12 116.55 110.76 2e9h n ASP 97 Ca 0.29 1.48 0.26 0.00 -1.51 0.00 0.00 54.79 55.31 2e9h n ASP 97 Cb 0.96 -0.23 0.49 0.00 2.34 0.00 0.00 41.12 44.68 2e9h n ASP 97 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2e9h h GLY 98 N 0.00 2.02 0.60 0.27 0.00 -1.32 0.91 103.07 105.55 2e9h h GLY 98 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2e9h h GLY 98 CO -0.80 -0.63 -0.19 -2.75 0.00 0.00 0.00 176.54 172.17 2e9h h PHE 99 N 0.14 -0.51 0.00 5.60 3.57 0.84 -3.00 116.94 123.59 2e9h h PHE 99 Ca 0.76 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.24 2e9h h PHE 99 Cb 1.84 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2e9h h PHE 99 CO -0.08 -0.18 0.00 -0.89 -2.23 0.00 0.00 178.31 174.93 2e9h n ILE 100 N -5.18 1.05 0.23 1.41 5.41 -0.14 0.71 119.36 122.87 2e9h n ILE 100 Ca -0.09 0.43 0.12 0.00 1.00 0.00 0.00 62.75 64.21 2e9h n ILE 100 Cb 0.28 -1.37 0.41 0.00 -0.71 0.00 0.00 39.64 38.25 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 0.90 0.18 116.57 119.66 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 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2e9h h LYS 101 CO 0.00 0.12 -0.01 0.36 -3.45 0.00 0.00 179.45 176.47 2e9h n LYS 102 N -3.19 0.00 0.28 1.90 2.85 -0.62 -4.40 118.16 114.98 2e9h n LYS 102 Ca 0.02 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.40 2e9h n LYS 102 Cb 0.45 -0.13 0.59 0.00 -0.65 0.00 0.00 35.03 35.29 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 0.04 -3.30 116.94 118.26 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 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 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 -2.90 0.00 -0.59 -0.55 0.31 -1.18 -4.96 118.33 108.45 2e9h n VAL 104 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2e9h n VAL 104 Cb 0.61 -0.81 0.21 0.00 -0.91 0.00 0.00 33.84 32.95 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 -2.00 -1.02 -4.67 7.52 4.77 0.62 -4.23 117.00 118.00 2e9h n LEU 105 Ca 0.00 -0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 2e9h n LEU 105 Cb 0.00 -1.19 -0.09 0.00 -2.33 0.00 0.00 43.42 39.80 2e9h n LEU 105 CO 0.00 -3.14 -0.27 0.00 -1.33 0.00 0.00 177.39 172.65 2e9h n PRO 107 N 2.92 0.49 0.03 0.00 -0.04 -1.26 0.66 135.00 137.80 2e9h n PRO 107 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2e9h n PRO 107 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.36 0.54 -0.58 -1.26 -4.85 120.64 113.43 2e9h n GLU 108 Ca 0.05 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.87 2e9h n GLU 108 Cb 0.02 -0.28 0.23 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.35 -1.09 -2.78 0.00 1.02 0.21 -4.71 120.64 112.93 2e9h n GLU 110 Ca 0.19 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 2e9h n GLU 110 Cb 0.77 -2.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 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 -2.10 7.17 0.00 1.62 3.84 -1.26 -4.25 114.94 119.96 2e9h s ASN 111 Ca 0.40 1.43 0.15 0.00 0.21 0.00 0.00 52.86 55.04 2e9h s ASN 111 Cb -0.23 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.82 2e9h s ASN 111 CO 0.49 -0.37 1.28 -0.81 -2.79 0.00 0.00 177.10 174.90 2e9h n PRO 112 N 4.75 0.49 -3.94 0.43 -0.04 -1.26 -2.36 135.00 133.07 2e9h n PRO 112 Ca 0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 2e9h n PRO 112 Cb 0.49 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.84 0.30 0.54 0.41 -1.26 -4.73 118.70 113.80 2e9h s GLU 113 Ca 0.22 -2.27 0.02 0.00 -0.41 0.00 0.00 54.97 52.53 2e9h s GLU 113 Cb 0.10 -3.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 2e9h s GLU 113 CO 0.17 -1.05 0.11 0.95 -0.49 0.00 0.00 175.26 174.95 2e9h s THR 114 N 0.29 0.61 0.08 3.63 -4.23 -1.26 -4.57 115.64 110.19 2e9h s THR 114 Ca 0.14 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 2e9h s THR 114 Cb -0.23 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 2e9h s THR 114 CO -0.04 0.00 -0.19 -1.81 -0.54 0.00 0.00 174.62 172.04 2e9h s ASP 115 N -3.39 3.78 -0.06 3.99 1.11 -0.88 -5.01 116.67 116.20 2e9h s ASP 115 Ca 0.36 -0.51 0.05 0.00 0.18 0.00 0.00 52.55 52.63 2e9h s ASP 115 Cb 0.07 -0.55 -0.00 0.00 1.07 0.00 0.00 42.92 43.51 2e9h s ASP 115 CO 0.15 0.22 -0.21 -0.76 1.18 0.00 0.00 175.17 175.75 2e9h s LEU 116 N -1.75 1.99 -0.03 1.23 1.43 -1.26 -1.00 118.68 119.28 2e9h s LEU 116 Ca 0.16 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2e9h s LEU 116 Cb -0.10 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2e9h s LEU 116 CO 0.07 0.18 -0.12 -1.00 0.23 0.00 0.00 176.35 175.71 2e9h s HIS 117 N 0.06 2.76 -0.13 0.29 3.76 0.02 -5.00 115.29 117.06 2e9h s HIS 117 Ca -0.07 -0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2e9h s HIS 117 Cb -0.14 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 2e9h s HIS 117 CO 0.04 0.25 -0.16 0.54 -0.85 0.00 0.00 174.74 174.57 2e9h s VAL 118 N -0.81 2.75 -0.28 -0.90 0.11 -1.26 -2.32 120.40 117.69 2e9h s VAL 118 Ca 0.13 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 2e9h s VAL 118 Cb -0.11 -2.14 0.07 0.00 -1.53 0.00 0.00 36.38 32.67 2e9h s VAL 118 CO 0.02 0.53 -0.05 0.20 -3.33 0.00 0.00 175.10 172.47 2e9h s ASN 119 N 0.48 4.40 0.27 3.54 0.01 -1.17 -4.98 114.94 117.48 2e9h s ASN 119 Ca -0.11 -1.56 0.04 0.00 -0.71 0.00 0.00 52.86 50.52 2e9h s ASN 119 Cb -0.16 -1.47 0.35 0.00 0.41 0.00 0.00 41.25 40.38 2e9h s ASN 119 CO 0.05 -0.26 1.65 1.55 -1.51 0.00 0.00 177.10 178.58 2e9h h PRO 120 N 7.78 0.32 0.33 -0.60 0.13 -1.89 0.16 132.00 138.23 2e9h h PRO 120 Ca -0.15 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2e9h h PRO 120 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2e9h h PRO 120 CO 0.47 0.71 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.57 2e9h h LYS 121 N 0.26 -0.43 0.00 0.86 1.63 -1.97 -3.23 116.57 113.69 2e9h h LYS 121 Ca 0.02 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2e9h h LYS 121 Cb 0.89 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2e9h h LYS 121 CO 0.07 -0.20 0.00 1.63 -3.45 0.00 0.00 179.45 177.50 2e9h n LYS 122 N -5.08 0.03 -4.00 1.90 4.01 -1.25 -4.90 118.16 108.89 2e9h n LYS 122 Ca -0.07 0.20 -0.26 0.00 -0.51 0.00 0.00 58.31 57.67 2e9h n LYS 122 Cb 0.22 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.16 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 -1.61 -3.02 -3.89 1.97 1.13 0.53 -4.96 117.38 107.52 2e9h n GLN 123 Ca 0.04 0.37 -0.11 0.00 -1.94 0.00 0.00 57.00 55.36 2e9h n GLN 123 Cb 0.23 -4.42 -0.10 0.00 0.11 0.00 0.00 30.24 26.06 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 -4.01 0.09 -0.15 5.09 -4.23 -1.11 -5.02 115.64 106.29 2e9h s THR 124 Ca 0.00 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.74 2e9h s THR 124 Cb -0.00 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 2e9h s THR 124 CO 0.90 -0.39 0.08 -0.63 -0.54 0.00 0.00 174.62 174.05 2e9h s ILE 125 N -1.34 5.01 0.08 2.99 1.01 -1.26 -3.04 121.20 124.66 2e9h s ILE 125 Ca -0.14 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.62 2e9h s ILE 125 Cb -0.08 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2e9h s ILE 125 CO 0.01 0.53 -0.21 -0.83 0.00 0.00 0.00 174.94 174.44 2e9h s GLY 126 N -0.26 1.19 -0.14 6.18 0.00 -0.98 -0.40 107.32 112.90 2e9h s GLY 126 Ca 0.09 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.64 2e9h s GLY 126 CO 0.01 -1.16 -0.18 0.54 0.00 0.00 0.00 173.10 172.31 2e9h s ASN 127 N -1.69 3.48 -0.27 1.64 2.20 -0.98 -0.80 114.94 118.51 2e9h s ASN 127 Ca 0.06 -0.51 0.02 0.00 -0.94 0.00 0.00 52.86 51.50 2e9h s ASN 127 Cb -0.10 -1.52 0.07 0.00 -2.00 0.00 0.00 41.25 37.71 2e9h s ASN 127 CO 0.03 0.10 -0.03 -0.94 -2.94 0.00 0.00 177.10 173.33 2e9h s SER 128 N 0.73 4.24 0.43 3.54 1.04 -0.17 -2.72 113.70 120.77 2e9h s SER 128 Ca -0.08 -1.52 -0.02 0.00 0.48 0.00 0.00 55.95 54.82 2e9h s SER 128 Cb -0.16 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 2e9h s SER 128 CO 0.01 -0.28 0.68 0.00 0.98 0.00 0.00 173.24 174.63 2e9h n LYS 130 N -2.06 0.21 -0.37 0.00 5.02 -1.26 -3.51 118.16 116.19 2e9h n LYS 130 Ca -0.01 0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 2e9h n LYS 130 Cb 0.56 -1.10 0.10 0.00 -0.02 0.00 0.00 35.03 34.57 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h n ALA 131 N -2.90 0.09 -0.06 7.82 0.00 -1.26 -3.18 120.51 121.02 2e9h n ALA 131 Ca -0.16 1.05 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 2e9h n ALA 131 Cb 0.66 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 2e9h n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e9h n GLY 133 N 2.82 0.84 3.69 0.00 0.00 -1.19 -5.09 105.19 106.25 2e9h n GLY 133 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 3.42 -0.09 1.61 6.14 -1.24 -4.89 117.35 120.74 2e9h s TYR 134 Ca 0.00 0.77 0.01 0.00 0.64 0.00 0.00 57.07 58.49 2e9h s TYR 134 Cb 0.00 -2.59 0.02 0.00 0.42 0.00 0.00 41.96 39.81 2e9h s TYR 134 CO 0.00 0.02 -0.10 1.03 0.64 0.00 0.00 175.55 177.14 2e9h s ARG 135 N 1.19 1.61 0.00 4.97 3.00 -1.26 -1.31 118.95 127.15 2e9h s ARG 135 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 55.73 55.63 2e9h s ARG 135 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 34.95 33.29 2e9h s ARG 135 CO 0.09 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 175.67 2e9h n GLY 136 N 4.43 1.84 3.25 -3.53 0.00 -1.10 -5.03 105.19 105.04 2e9h n GLY 136 Ca -0.17 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.91 3.14 0.16 1.61 0.23 -1.26 -2.31 119.30 118.95 2e9h s MET 137 Ca 0.00 -0.77 -0.31 0.00 -1.03 0.00 0.00 55.69 53.57 2e9h s MET 137 Cb 0.00 -2.94 -0.10 0.00 -1.53 0.00 0.00 34.83 30.26 2e9h s MET 137 CO 0.00 -0.27 1.53 -0.51 -2.03 0.00 0.00 175.02 173.74 2e9h s LEU 138 N 1.40 4.37 -0.52 0.18 1.43 0.46 -4.96 118.68 121.03 2e9h s LEU 138 Ca 0.04 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.53 2e9h s LEU 138 Cb -0.15 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.57 2e9h s LEU 138 CO -0.05 -0.79 0.54 1.51 0.23 0.00 0.00 176.35 177.79 2e9h s ASP 139 N 1.12 6.18 -0.01 2.29 1.47 -1.26 -4.53 116.67 121.92 2e9h s ASP 139 Ca 0.69 -1.38 0.01 0.00 1.18 0.00 0.00 52.55 53.05 2e9h s ASP 139 Cb -0.42 -2.24 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 2e9h s ASP 139 CO 0.31 -0.86 -0.05 -0.89 0.68 0.00 0.00 175.17 174.36 2e9h s THR 140 N 2.09 0.42 1.03 2.11 2.01 -1.26 -5.14 115.64 116.90 2e9h s THR 140 Ca 0.08 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 2e9h s THR 140 Cb -0.25 -0.39 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 2e9h s THR 140 CO 0.07 0.14 -0.89 0.00 -0.69 0.00 0.00 174.62 173.24 2e9h n HIS 141 N 3.26 -1.83 -0.02 4.92 1.44 -1.26 -4.76 115.22 116.98 2e9h n HIS 141 Ca -0.17 0.40 -0.07 0.00 -2.01 0.00 0.00 57.72 55.87 2e9h n HIS 141 Cb 0.56 -1.46 0.04 0.00 0.12 0.00 0.00 29.99 29.24 2e9h n HIS 141 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2e9h n HIS 142 N -3.66 0.83 -0.12 -1.40 -0.00 -1.26 -3.99 115.22 105.63 2e9h n HIS 142 Ca -0.01 -1.12 -0.21 0.00 0.46 0.00 0.00 57.72 56.85 2e9h n HIS 142 Cb 0.68 -0.56 -0.08 0.00 -0.12 0.00 0.00 29.99 29.92 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2e9h n LYS 143 N 0.36 0.56 -0.07 1.57 3.00 -1.26 -4.56 118.16 117.77 2e9h n LYS 143 Ca 0.16 0.30 -0.06 0.00 -0.00 0.00 0.00 58.31 58.72 2e9h n LYS 143 Cb 0.71 -1.52 -0.02 0.00 0.00 0.00 0.00 35.03 34.20 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2e9h n LEU 144 N -4.36 1.57 -0.40 3.14 7.94 -1.26 -4.34 117.00 119.29 2e9h n LEU 144 Ca -0.37 0.42 0.33 0.00 -1.11 0.00 0.00 56.01 55.27 2e9h n LEU 144 Cb 0.71 -0.75 0.53 0.00 0.53 0.00 0.00 43.42 44.44 2e9h n LEU 144 CO 0.11 -0.39 0.96 0.00 -1.11 0.00 0.00 177.39 176.96 2e9h h THR 146 N 0.00 0.92 -0.27 0.00 2.02 -1.80 -1.47 112.91 112.30 2e9h h THR 146 Ca 0.67 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.73 2e9h h THR 146 Cb 2.30 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 2e9h h THR 146 CO -0.25 0.02 0.10 0.15 0.37 0.00 0.00 175.52 175.91 2e9h h PHE 147 N -0.20 0.43 -0.94 3.16 3.04 0.15 -2.00 116.94 120.58 2e9h h PHE 147 Ca -0.02 -0.04 0.13 0.00 3.98 0.00 0.00 57.97 62.02 2e9h h PHE 147 Cb 0.16 -0.13 -0.09 0.00 2.56 0.00 0.00 35.95 38.45 2e9h h PHE 147 CO -0.06 0.45 0.57 0.82 -2.02 0.00 0.00 178.31 178.07 2e9h h ILE 148 N 0.29 0.86 0.31 1.41 2.04 -1.33 0.23 117.51 121.33 2e9h h ILE 148 Ca 0.09 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2e9h h ILE 148 Cb 0.21 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2e9h h ILE 148 CO -0.01 0.16 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 2e9h h LEU 149 N 0.87 -0.36 -0.81 1.44 3.38 -1.02 -3.09 115.31 115.72 2e9h h LEU 149 Ca 0.48 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.36 2e9h h LEU 149 Cb 0.54 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2e9h h LEU 149 CO -0.29 0.01 0.47 0.11 0.09 0.00 0.00 178.44 178.83 2e9h h LYS 150 N -0.76 0.80 -4.54 1.13 1.79 -0.94 -3.36 116.57 110.69 2e9h h LYS 150 Ca -0.04 -0.05 -0.65 0.00 -2.18 0.00 0.00 60.65 57.73 2e9h h LYS 150 Cb 0.51 -0.18 -0.40 0.00 -1.58 0.00 0.00 32.23 30.58 2e9h h LYS 150 CO 0.07 0.53 -0.73 -0.80 -1.08 0.00 0.00 179.45 177.44 2e9h s ASN 151 N -5.66 4.61 1.01 0.86 0.01 0.78 -4.66 114.94 111.88 2e9h s ASN 151 Ca -0.13 -1.99 -0.12 0.00 -0.71 0.00 0.00 52.86 49.91 2e9h s ASN 151 Cb 0.18 -1.50 0.19 0.00 0.41 0.00 0.00 41.25 40.53 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 1.03 0.36 0.15 -0.60 0.04 -1.17 -4.39 135.00 130.41 2e9h s PRO 152 Ca 0.08 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.31 2e9h s PRO 152 Cb -0.19 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 2e9h s PRO 152 CO -0.10 -2.78 1.34 -1.25 0.04 0.00 0.00 177.00 174.25 2e9h s PRO 153 N -4.97 4.36 -0.07 0.56 0.04 -1.26 -3.11 135.00 130.55 2e9h s PRO 153 Ca 0.65 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2e9h s PRO 153 Cb -0.19 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2e9h s PRO 153 CO 0.58 -0.34 0.00 -0.85 0.04 0.00 0.00 177.00 176.43 2e9h n GLU 154 N 3.37 -1.98 -4.34 4.56 0.00 -1.26 -4.83 120.64 116.15 2e9h n GLU 154 Ca 0.09 0.04 -0.18 0.00 0.00 0.00 0.00 57.16 57.11 2e9h n GLU 154 Cb 0.43 -4.29 -0.10 0.00 0.00 0.00 0.00 31.44 27.47 2e9h n GLU 154 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2e9h s ASN 155 N -1.53 1.44 -0.02 -1.84 -0.87 -1.18 -5.17 114.94 105.77 2e9h s ASN 155 Ca 0.00 -1.39 -0.14 0.00 -1.57 0.00 0.00 52.86 49.76 2e9h s ASN 155 Cb 0.00 0.13 0.02 0.00 -0.02 0.00 0.00 41.25 41.38 2e9h s ASN 155 CO 0.00 -0.72 0.30 -0.44 -2.57 0.00 0.00 177.10 173.67 2e9h s SER 156 N -3.35 -0.19 0.00 -1.22 0.01 -1.26 -4.21 113.70 103.48 2e9h s SER 156 Ca 0.37 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2e9h s SER 156 Cb 0.08 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2e9h s SER 156 CO 0.14 -0.42 0.00 -0.90 0.41 0.00 0.00 173.24 172.47