#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 -2.35 -4.56 1.61 2.88 -1.26 -4.78 113.62 105.15 2e9h n SER 2 Ca 0.00 0.72 -0.40 0.00 -1.33 0.00 0.00 58.87 57.85 2e9h n SER 2 Cb 0.00 -1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 62.43 2e9h n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e9h s SER 3 N -1.07 5.77 0.00 -3.46 0.15 -1.26 -4.76 113.70 109.08 2e9h s SER 3 Ca 0.62 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2e9h s SER 3 Cb -0.49 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.28 2e9h s SER 3 CO 0.60 -1.99 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2e9h n GLY 4 N 5.47 0.00 3.97 9.45 0.00 -1.26 -5.07 105.19 117.75 2e9h n GLY 4 Ca 0.15 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.00 5.35 -0.18 1.61 0.15 -1.26 -5.07 113.70 110.30 2e9h s SER 5 Ca 0.00 -0.61 -0.18 0.00 0.70 0.00 0.00 55.95 55.85 2e9h s SER 5 Cb 0.00 -0.46 -0.15 0.00 -1.71 0.00 0.00 66.02 63.70 2e9h s SER 5 CO 0.00 -0.81 0.16 0.28 1.20 0.00 0.00 173.24 174.07 2e9h h SER 6 N 0.71 0.00 -3.42 5.45 0.02 -1.97 -3.47 113.55 110.87 2e9h h SER 6 Ca -0.39 -0.40 -0.66 0.00 -0.84 0.00 0.00 61.79 59.50 2e9h h SER 6 Cb 1.28 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.56 2e9h h SER 6 CO 0.49 1.21 -0.76 -0.83 -1.14 0.00 0.00 176.83 175.81 2e9h s GLY 7 N -4.58 1.55 -0.00 -3.77 0.00 -1.26 -5.12 107.32 94.15 2e9h s GLY 7 Ca -0.23 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 2e9h s GLY 7 CO 0.48 -0.27 0.08 -0.29 0.00 0.00 0.00 173.10 173.09 2e9h s MET 8 N 0.18 3.04 0.13 2.90 -2.45 -1.26 -5.12 119.30 116.72 2e9h s MET 8 Ca -0.07 -0.50 0.10 0.00 -1.25 0.00 0.00 55.69 53.98 2e9h s MET 8 Cb -0.15 -2.84 -0.04 0.00 1.25 0.00 0.00 34.83 33.05 2e9h s MET 8 CO 0.05 0.64 -0.25 -1.54 1.05 0.00 0.00 175.02 174.98 2e9h s SER 9 N -1.74 3.47 0.51 1.11 1.04 -1.26 -4.49 113.70 112.34 2e9h s SER 9 Ca 0.23 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.99 2e9h s SER 9 Cb -0.12 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.72 2e9h s SER 9 CO 0.14 0.18 0.70 0.68 0.98 0.00 0.00 173.24 175.92 2e9h s VAL 10 N -1.11 2.77 0.30 5.02 -7.23 -0.97 -4.89 120.40 114.29 2e9h s VAL 10 Ca 0.15 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.24 2e9h s VAL 10 Cb -0.10 -2.99 -0.10 0.00 0.56 0.00 0.00 36.38 33.76 2e9h s VAL 10 CO 0.07 0.00 1.19 0.20 -0.31 0.00 0.00 175.10 176.26 2e9h s ASN 11 N -4.41 7.05 0.45 4.85 -0.87 -1.26 -2.57 114.94 118.18 2e9h s ASN 11 Ca 0.57 2.45 0.35 0.00 -1.57 0.00 0.00 52.86 54.66 2e9h s ASN 11 Cb -0.10 -2.64 1.47 0.00 -0.02 0.00 0.00 41.25 39.96 2e9h s ASN 11 CO 0.37 -0.32 1.47 0.52 -2.57 0.00 0.00 177.10 176.56 2e9h n VAL 12 N 1.06 -0.17 -4.82 1.60 0.31 -1.25 -4.20 118.33 110.86 2e9h n VAL 12 Ca -0.00 1.61 -0.30 0.00 -0.01 0.00 0.00 64.34 65.64 2e9h n VAL 12 Cb 0.43 -2.65 -0.14 0.00 -0.91 0.00 0.00 33.84 30.57 2e9h n VAL 12 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2e9h s ASN 13 N -4.16 3.20 -0.17 4.52 2.20 -1.26 -4.98 114.94 114.29 2e9h s ASN 13 Ca -0.06 -0.62 0.05 0.00 -0.94 0.00 0.00 52.86 51.29 2e9h s ASN 13 Cb 0.28 -0.28 0.39 0.00 -2.00 0.00 0.00 41.25 39.64 2e9h s ASN 13 CO 0.79 0.25 1.28 0.54 -2.94 0.00 0.00 177.10 177.01 2e9h n ARG 14 N 1.63 2.48 -0.02 3.55 5.12 -1.26 -3.72 116.66 124.44 2e9h n ARG 14 Ca -0.17 -1.60 0.01 0.00 -1.93 0.00 0.00 57.85 54.16 2e9h n ARG 14 Cb 0.52 -1.78 -0.08 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.06 2.68 -4.77 0.55 2.88 -1.26 -4.99 113.62 108.77 2e9h n SER 15 Ca 0.21 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.36 2e9h n SER 15 Cb 0.89 1.16 -0.06 0.00 -0.75 0.00 0.00 64.21 65.45 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 -2.51 4.93 -0.42 2.46 0.11 -1.24 -4.99 120.40 118.73 2e9h s VAL 16 Ca -0.04 1.16 0.05 0.00 -2.93 0.00 0.00 61.98 60.22 2e9h s VAL 16 Cb 0.05 -3.89 0.43 0.00 -1.53 0.00 0.00 36.38 31.44 2e9h s VAL 16 CO 0.41 0.45 1.16 -1.20 -3.33 0.00 0.00 175.10 172.58 2e9h n SER 17 N 2.59 4.85 -4.17 3.54 7.64 -1.26 -4.91 113.62 121.89 2e9h n SER 17 Ca -0.08 -3.73 -0.24 0.00 1.01 0.00 0.00 58.87 55.83 2e9h n SER 17 Cb 0.51 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 2e9h n SER 17 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2e9h s ASP 18 N -3.47 2.51 -0.21 6.43 1.11 -1.26 -5.06 116.67 116.71 2e9h s ASP 18 Ca 0.49 -1.59 0.11 0.00 0.18 0.00 0.00 52.55 51.73 2e9h s ASP 18 Cb 0.40 0.37 0.42 0.00 1.07 0.00 0.00 42.92 45.18 2e9h s ASP 18 CO -0.15 -0.86 1.23 0.00 1.18 0.00 0.00 175.17 176.57 2e9h n GLN 19 N -0.81 1.61 -0.08 8.23 10.64 -1.26 -4.63 117.38 131.08 2e9h n GLN 19 Ca -0.04 -3.31 -0.06 0.00 -1.83 0.00 0.00 57.00 51.76 2e9h n GLN 19 Cb 0.65 -1.63 -0.15 0.00 -0.86 0.00 0.00 30.24 28.25 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 -1.12 0.00 -1.61 2.61 3.72 -1.26 -4.95 117.46 114.86 2e9h n PHE 20 Ca 0.20 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 57.06 2e9h n PHE 20 Cb 0.70 -0.86 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.61 1.93 0.00 1.38 4.19 -1.26 -4.89 117.16 115.90 2e9h n TYR 21 Ca -0.26 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.32 2e9h n TYR 21 Cb 1.01 -2.51 0.00 0.00 0.49 0.00 0.00 39.34 38.33 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 6.59 0.00 -1.68 2.98 0.63 -1.26 -4.74 116.66 119.17 2e9h n ARG 22 Ca 0.32 0.50 -0.44 0.00 -0.92 0.00 0.00 57.85 57.30 2e9h n ARG 22 Cb 0.18 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.00 2.33 -4.14 -0.14 4.01 -1.26 -5.00 117.16 110.96 2e9h n TYR 23 Ca 0.00 0.35 -0.11 0.00 -0.16 0.00 0.00 57.90 57.98 2e9h n TYR 23 Cb 0.00 -2.51 -0.10 0.00 -0.31 0.00 0.00 39.34 36.42 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 -0.09 0.74 -0.01 -0.72 -0.14 -1.26 -3.96 119.74 114.30 2e9h s LYS 24 Ca 0.70 -1.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.16 2e9h s LYS 24 Cb -0.62 -0.22 -0.01 0.00 -1.68 0.00 0.00 37.83 35.30 2e9h s LYS 24 CO 0.46 -0.00 -0.08 0.00 -0.76 0.00 0.00 175.35 174.97 2e9h s MET 25 N -3.22 0.67 0.02 1.68 0.23 -1.06 -4.91 119.30 112.70 2e9h s MET 25 Ca 0.06 -0.29 -0.30 0.00 -1.03 0.00 0.00 55.69 54.13 2e9h s MET 25 Cb 0.01 -0.65 -0.06 0.00 -1.53 0.00 0.00 34.83 32.61 2e9h s MET 25 CO -0.03 0.17 1.44 -1.25 -2.03 0.00 0.00 175.02 173.31 2e9h s PRO 26 N -0.17 4.27 -0.12 3.16 0.04 -1.26 -2.29 135.00 138.63 2e9h s PRO 26 Ca 0.03 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.74 2e9h s PRO 26 Cb -0.03 -3.56 -0.12 0.00 0.04 0.00 0.00 34.50 30.83 2e9h s PRO 26 CO -0.00 -0.59 1.89 0.54 0.04 0.00 0.00 177.00 178.88 2e9h n ARG 27 N 5.32 2.04 -1.70 4.56 1.74 -1.26 -4.71 116.66 122.64 2e9h n ARG 27 Ca 0.13 0.74 -0.37 0.00 -0.77 0.00 0.00 57.85 57.58 2e9h n ARG 27 Cb 0.43 -2.60 0.07 0.00 -1.02 0.00 0.00 32.46 29.34 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 6.73 5.49 -4.37 0.55 -0.00 -1.26 -5.00 117.00 119.14 2e9h n LEU 28 Ca 0.24 0.82 -0.33 0.00 -0.00 0.00 0.00 56.01 56.74 2e9h n LEU 28 Cb 0.28 -1.52 -0.15 0.00 -0.00 0.00 0.00 43.42 42.04 2e9h n LEU 28 CO 0.74 -1.22 -0.47 -0.63 -0.00 0.00 0.00 177.39 175.82 2e9h s ILE 29 N -1.42 2.87 -0.13 1.47 1.01 -1.26 -4.87 121.20 118.87 2e9h s ILE 29 Ca 0.81 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2e9h s ILE 29 Cb -0.39 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2e9h s ILE 29 CO 0.42 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.71 2e9h s ALA 30 N 0.10 2.37 -0.02 9.38 0.00 -1.26 -2.15 121.76 130.19 2e9h s ALA 30 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2e9h s ALA 30 Cb -0.15 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2e9h s ALA 30 CO 0.05 0.12 0.01 0.21 0.00 0.00 0.00 175.76 176.16 2e9h s LYS 31 N 0.58 2.86 0.01 0.00 2.20 -0.96 -4.54 119.74 119.89 2e9h s LYS 31 Ca -0.11 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 2e9h s LYS 31 Cb -0.16 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2e9h s LYS 31 CO 0.04 0.64 -0.06 0.08 -0.36 0.00 0.00 175.35 175.69 2e9h s VAL 32 N -1.06 0.42 0.08 4.02 1.01 -1.26 -1.15 120.40 122.46 2e9h s VAL 32 Ca 0.19 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2e9h s VAL 32 Cb -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2e9h s VAL 32 CO 0.09 -0.04 -0.13 -1.61 0.00 0.00 0.00 175.10 173.40 2e9h s GLU 33 N -0.55 0.84 0.94 2.72 0.41 -1.25 -5.02 118.70 116.78 2e9h s GLU 33 Ca -0.02 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 2e9h s GLU 33 Cb -0.04 -0.78 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 2e9h s GLU 33 CO -0.00 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 2e9h n GLY 34 N 1.08 -0.32 2.99 -1.39 0.00 -1.26 -3.99 105.19 102.30 2e9h n GLY 34 Ca -0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 2e9h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9h s LYS 35 N 0.00 0.44 0.00 1.61 0.00 -1.26 -4.70 119.74 115.83 2e9h s LYS 35 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 55.97 56.47 2e9h s LYS 35 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.70 2e9h s LYS 35 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.35 174.95 2e9h n GLY 36 N 5.38 1.75 1.53 0.59 0.00 -1.26 -4.76 105.19 108.43 2e9h n GLY 36 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 1.50 4.70 0.00 1.61 3.02 -1.26 -4.44 115.26 120.39 2e9h n ASN 37 Ca 0.00 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 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 0.51 1.88 3.69 7.41 0.00 -1.26 -5.02 105.19 112.40 2e9h n GLY 38 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.94 -0.00 -0.61 2.07 -1.26 -4.86 121.20 118.48 2e9h s ILE 39 Ca 0.00 1.33 -0.10 0.00 -1.41 0.00 0.00 60.65 60.47 2e9h s ILE 39 Cb 0.00 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.75 2e9h s ILE 39 CO 0.00 0.03 0.19 -1.59 -1.91 0.00 0.00 174.94 171.66 2e9h s LYS 40 N 1.98 0.55 -0.18 3.50 0.00 -1.25 -3.73 119.74 120.61 2e9h s LYS 40 Ca 0.60 -0.35 -0.13 0.00 0.00 0.00 0.00 55.97 56.10 2e9h s LYS 40 Cb -0.29 0.23 -0.05 0.00 0.00 0.00 0.00 37.83 37.73 2e9h s LYS 40 CO 0.26 -0.14 0.24 0.99 0.00 0.00 0.00 175.35 176.70 2e9h s THR 41 N -1.42 5.33 -0.33 3.79 2.01 0.70 -3.95 115.64 121.77 2e9h s THR 41 Ca -0.14 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2e9h s THR 41 Cb -0.07 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 68.95 2e9h s THR 41 CO 0.02 0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 2e9h s VAL 42 N 0.57 2.55 -1.17 3.82 1.01 -0.30 -0.16 120.40 126.72 2e9h s VAL 42 Ca 0.13 -2.05 -0.23 0.00 0.00 0.00 0.00 61.98 59.84 2e9h s VAL 42 Cb -0.13 -2.73 -0.11 0.00 0.00 0.00 0.00 36.38 33.41 2e9h s VAL 42 CO 0.02 -0.46 1.96 -0.63 0.00 0.00 0.00 175.10 176.00 2e9h s ILE 43 N 1.03 3.47 0.24 2.22 1.01 -1.20 -2.25 121.20 125.71 2e9h s ILE 43 Ca 0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2e9h s ILE 43 Cb -0.20 -4.49 0.21 0.00 0.01 0.00 0.00 42.46 37.99 2e9h s ILE 43 CO -0.06 -0.86 1.76 0.58 0.00 0.00 0.00 174.94 176.36 2e9h h VAL 44 N 6.26 0.74 -0.56 2.92 2.07 -1.72 -0.89 116.25 125.08 2e9h h VAL 44 Ca 0.19 -0.19 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 2e9h h VAL 44 Cb 0.95 0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 2e9h h VAL 44 CO 1.19 0.10 0.34 -3.20 0.02 0.00 0.00 177.57 176.03 2e9h n ASN 45 N -4.92 6.34 -0.07 0.57 5.15 -1.23 -4.39 115.26 116.71 2e9h n ASN 45 Ca 0.14 -3.03 -0.14 0.00 -0.60 0.00 0.00 54.58 50.95 2e9h n ASN 45 Cb 0.38 -1.12 -0.12 0.00 -0.53 0.00 0.00 39.78 38.38 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 1.88 0.00 -0.50 1.20 1.85 -1.46 -3.14 114.93 114.76 2e9h h MET 46 Ca 0.29 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.28 2e9h h MET 46 Cb 0.90 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.92 2e9h h MET 46 CO 0.71 0.97 -0.09 0.28 -0.40 0.00 0.00 176.91 178.38 2e9h h VAL 47 N -1.00 1.27 0.04 -5.77 2.07 -1.82 -2.87 116.25 108.16 2e9h h VAL 47 Ca -0.03 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2e9h h VAL 47 Cb 1.00 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2e9h h VAL 47 CO -0.02 0.43 -0.03 0.44 0.02 0.00 0.00 177.57 178.41 2e9h h ASP 48 N 0.81 -0.07 -0.93 0.57 3.32 -1.86 -2.31 116.42 115.95 2e9h h ASP 48 Ca 0.13 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.42 2e9h h ASP 48 Cb 0.64 0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.04 2e9h h ASP 48 CO 0.04 -0.04 -0.03 -0.37 -1.72 0.00 0.00 179.24 177.12 2e9h h VAL 49 N -0.07 0.09 -0.00 -1.35 -1.51 -1.64 -1.48 116.25 110.30 2e9h h VAL 49 Ca -0.01 -0.01 0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2e9h h VAL 49 Cb 0.05 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.26 2e9h h VAL 49 CO 0.00 0.01 -0.15 0.00 -1.23 0.00 0.00 177.57 176.20 2e9h h ALA 50 N 1.92 -0.62 -0.97 5.19 0.00 -1.34 -1.58 119.26 121.87 2e9h h ALA 50 Ca 0.53 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.61 2e9h h ALA 50 Cb 1.02 0.64 -0.18 0.00 0.00 0.00 0.00 17.79 19.27 2e9h h ALA 50 CO -0.88 -0.66 -0.26 1.63 0.00 0.00 0.00 179.25 179.08 2e9h n LYS 51 N -3.33 -0.11 -0.32 0.00 4.01 -0.59 0.14 118.16 117.97 2e9h n LYS 51 Ca -0.02 1.50 0.06 0.00 -0.51 0.00 0.00 58.31 59.34 2e9h n LYS 51 Cb 0.11 -2.24 0.22 0.00 -0.51 0.00 0.00 35.03 32.60 2e9h n LYS 51 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2e9h h ALA 52 N 1.84 1.35 -0.02 7.82 0.00 -1.05 0.42 119.26 129.62 2e9h h ALA 52 Ca 0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2e9h h ALA 52 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2e9h h ALA 52 CO -0.99 0.09 0.00 1.28 0.00 0.00 0.00 179.25 179.63 2e9h n LEU 53 N -4.73 0.19 -2.07 0.00 4.77 0.37 -4.86 117.00 110.67 2e9h n LEU 53 Ca 0.17 -0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2e9h n LEU 53 Cb 0.36 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2e9h n LEU 53 CO 0.25 0.04 -0.23 0.59 -1.33 0.00 0.00 177.39 176.72 2e9h n ASN 54 N -0.60 -5.46 -4.03 -1.43 3.02 0.15 -4.96 115.26 101.95 2e9h n ASN 54 Ca 0.11 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.75 2e9h n ASN 54 Cb 0.08 -4.66 -0.11 0.00 -0.61 0.00 0.00 39.78 34.47 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e9h s ARG 55 N -4.50 0.45 0.57 3.52 0.52 -1.04 -5.00 118.95 113.48 2e9h s ARG 55 Ca 0.00 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.28 2e9h s ARG 55 Cb 0.00 -0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.34 2e9h s ARG 55 CO 0.00 -0.01 1.13 -1.25 0.02 0.00 0.00 175.30 175.19 2e9h s PRO 56 N -1.75 3.25 0.19 3.54 0.04 -1.26 -3.49 135.00 135.51 2e9h s PRO 56 Ca -0.11 1.57 0.21 0.00 0.04 0.00 0.00 61.00 62.71 2e9h s PRO 56 Cb -0.08 -1.99 0.89 0.00 0.04 0.00 0.00 34.50 33.35 2e9h s PRO 56 CO -0.01 -0.93 1.64 -0.35 0.04 0.00 0.00 177.00 177.40 2e9h n PRO 57 N -1.52 0.14 0.19 0.56 -0.04 -1.26 -2.70 135.00 130.37 2e9h n PRO 57 Ca 0.11 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 2e9h n PRO 57 Cb 0.51 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.23 0.36 0.52 1.35 -1.95 0.23 112.91 114.65 2e9h h THR 58 Ca 0.00 -1.11 -0.02 0.00 -0.55 0.00 0.00 66.41 64.73 2e9h h THR 58 Cb 0.33 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2e9h h THR 58 CO 0.00 0.32 -0.17 1.88 -0.25 0.00 0.00 175.52 177.29 2e9h h TYR 59 N 0.00 -0.45 0.08 4.73 0.05 -1.91 -3.00 116.97 116.47 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 0.57 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.46 2e9h h TYR 59 CO 0.00 -0.12 -0.04 -1.00 -1.05 0.00 0.00 178.16 175.95 2e9h h PRO 60 N -0.97 -0.10 -0.70 4.88 0.13 -1.71 -3.05 132.00 130.49 2e9h h PRO 60 Ca -0.05 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.22 2e9h h PRO 60 Cb 0.52 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.55 2e9h h PRO 60 CO 0.08 0.35 -0.25 1.15 -0.23 0.00 0.00 178.00 179.10 2e9h h THR 61 N -0.59 0.22 -0.53 1.56 2.02 -0.69 0.12 112.91 115.01 2e9h h THR 61 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2e9h h THR 61 Cb 0.49 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2e9h h THR 61 CO 0.02 0.00 0.27 0.50 0.37 0.00 0.00 175.52 176.68 2e9h h LYS 62 N -0.06 0.50 -0.02 6.66 1.63 -1.59 -2.86 116.57 120.82 2e9h h LYS 62 Ca 0.31 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2e9h h LYS 62 Cb 0.55 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 2e9h h LYS 62 CO -0.74 0.33 -0.45 -0.92 -3.45 0.00 0.00 179.45 174.22 2e9h h TYR 63 N 0.52 -1.29 -0.93 1.91 3.20 -0.68 -2.05 116.97 117.65 2e9h h TYR 63 Ca 0.24 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.31 2e9h h TYR 63 Cb 0.15 0.57 -0.16 0.00 1.54 0.00 0.00 36.73 38.83 2e9h h TYR 63 CO -0.10 -0.51 -0.31 1.19 -1.64 0.00 0.00 178.16 176.79 2e9h n PHE 64 N -5.45 0.17 -0.09 -3.82 3.72 -0.79 0.19 117.46 111.39 2e9h n PHE 64 Ca -0.06 1.15 -0.06 0.00 -0.05 0.00 0.00 57.45 58.43 2e9h n PHE 64 Cb 0.38 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 2e9h n PHE 64 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2e9h h GLY 65 N 0.00 0.27 0.21 1.37 0.00 -1.36 0.24 103.07 103.80 2e9h h GLY 65 Ca 0.38 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2e9h h GLY 65 CO -0.94 -0.09 -0.25 0.00 0.00 0.00 0.00 176.54 175.25 2e9h h GLU 67 N -0.47 0.15 0.00 0.00 4.39 -1.26 0.11 114.58 117.50 2e9h h GLU 67 Ca -0.03 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2e9h h GLU 67 Cb 0.42 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2e9h h GLU 67 CO -0.05 0.10 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.66 2e9h h LEU 68 N 0.16 0.00 0.28 1.33 3.38 -0.31 -3.47 115.31 116.68 2e9h h LEU 68 Ca 0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 2e9h h LEU 68 Cb 0.35 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.13 2e9h h LEU 68 CO -0.37 0.17 -0.29 0.61 0.09 0.00 0.00 178.44 178.65 2e9h n GLY 69 N -0.22 0.09 3.50 0.83 0.00 0.63 -5.03 105.19 104.99 2e9h n GLY 69 Ca -0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.82 2.85 0.52 4.61 0.00 -0.38 -5.01 121.76 121.52 2e9h s ALA 70 Ca 0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2e9h s ALA 70 Cb -0.06 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2e9h s ALA 70 CO 0.17 -0.36 0.82 -0.65 0.00 0.00 0.00 175.76 175.74 2e9h s GLN 71 N -3.70 3.22 0.00 0.00 -1.52 -1.26 -4.53 119.66 111.87 2e9h s GLN 71 Ca 0.25 0.03 -0.03 0.00 -1.95 0.00 0.00 55.36 53.66 2e9h s GLN 71 Cb 0.03 -2.36 -0.01 0.00 -0.22 0.00 0.00 33.01 30.45 2e9h s GLN 71 CO 0.15 -0.42 0.05 0.95 -0.25 0.00 0.00 175.29 175.77 2e9h s THR 72 N -2.82 0.07 -0.10 -0.19 -4.23 -1.26 0.20 115.64 107.31 2e9h s THR 72 Ca 0.50 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2e9h s THR 72 Cb -0.10 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 2e9h s THR 72 CO 0.44 -0.30 0.07 -1.58 -0.54 0.00 0.00 174.62 172.71 2e9h s GLN 73 N -0.93 3.19 -0.20 3.99 -0.44 0.58 -4.96 119.66 120.89 2e9h s GLN 73 Ca -0.10 -0.29 0.01 0.00 -2.50 0.00 0.00 55.36 52.48 2e9h s GLN 73 Cb -0.06 -2.97 0.04 0.00 -1.64 0.00 0.00 33.01 28.38 2e9h s GLN 73 CO 0.00 0.74 -0.10 -0.06 0.50 0.00 0.00 175.29 176.37 2e9h s PHE 74 N -0.96 2.40 -0.41 1.67 0.40 -1.26 -2.70 117.98 117.12 2e9h s PHE 74 Ca 0.14 -1.59 0.02 0.00 -0.60 0.00 0.00 56.93 54.90 2e9h s PHE 74 Cb -0.12 -1.63 0.13 0.00 0.51 0.00 0.00 43.02 41.91 2e9h s PHE 74 CO 0.03 -0.74 0.20 0.34 0.70 0.00 0.00 175.22 175.75 2e9h s ASP 75 N 1.40 3.77 0.30 1.36 -1.08 -1.04 -4.97 116.67 116.41 2e9h s ASP 75 Ca -0.01 -2.40 0.02 0.00 -0.52 0.00 0.00 52.55 49.64 2e9h s ASP 75 Cb -0.16 -1.02 0.49 0.00 -1.46 0.00 0.00 42.92 40.77 2e9h s ASP 75 CO -0.08 -0.30 1.81 0.58 0.52 0.00 0.00 175.17 177.70 2e9h h VAL 76 N 5.56 1.22 -0.66 1.11 2.07 -1.94 0.73 116.25 124.34 2e9h h VAL 76 Ca -0.04 -0.93 0.13 0.00 0.82 0.00 0.00 66.70 66.69 2e9h h VAL 76 Cb 0.95 0.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 2e9h h VAL 76 CO 0.48 0.32 0.16 0.50 0.02 0.00 0.00 177.57 179.04 2e9h h LYS 77 N 0.57 0.27 -0.30 1.57 3.64 -1.97 -1.79 116.57 118.57 2e9h h LYS 77 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2e9h h LYS 77 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2e9h h LYS 77 CO 0.02 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.47 2e9h n ASN 78 N -5.13 3.00 -3.21 4.20 3.02 -1.10 -4.96 115.26 111.08 2e9h n ASN 78 Ca 0.11 -2.18 -0.18 0.00 -0.03 0.00 0.00 54.58 52.30 2e9h n ASN 78 Cb 0.38 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.23 -2.22 -4.68 6.41 9.92 0.24 -4.89 116.55 121.57 2e9h n ASP 79 Ca 0.12 -0.18 -0.36 0.00 -0.53 0.00 0.00 54.79 53.84 2e9h n ASP 79 Cb 0.49 -1.93 -0.09 0.00 -0.64 0.00 0.00 41.12 38.95 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9h s ARG 80 N -5.80 4.10 -0.09 -1.24 1.70 -0.56 -4.74 118.95 112.31 2e9h s ARG 80 Ca 0.30 -0.26 0.04 0.00 -0.47 0.00 0.00 55.73 55.34 2e9h s ARG 80 Cb -0.17 -3.49 -0.01 0.00 -0.57 0.00 0.00 34.95 30.71 2e9h s ARG 80 CO 0.37 0.14 -0.22 0.71 -1.08 0.00 0.00 175.30 175.22 2e9h s TYR 81 N 0.83 2.58 -0.01 5.89 1.51 -1.26 -2.51 117.35 124.38 2e9h s TYR 81 Ca 0.07 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 2e9h s TYR 81 Cb -0.13 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2e9h s TYR 81 CO 0.02 -0.31 -0.21 0.42 -1.11 0.00 0.00 175.55 174.36 2e9h s ILE 82 N 0.18 1.68 -0.24 2.71 1.01 -1.10 -3.28 121.20 122.16 2e9h s ILE 82 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2e9h s ILE 82 Cb -0.16 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 40.96 2e9h s ILE 82 CO 0.07 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.66 2e9h s VAL 83 N -0.52 2.04 0.14 2.92 1.01 0.78 -0.31 120.40 126.47 2e9h s VAL 83 Ca 0.08 -1.46 -0.34 0.00 0.00 0.00 0.00 61.98 60.26 2e9h s VAL 83 Cb -0.08 -2.13 -0.15 0.00 0.00 0.00 0.00 36.38 34.02 2e9h s VAL 83 CO -0.01 0.05 1.40 0.59 0.00 0.00 0.00 175.10 177.13 2e9h n ASN 84 N 4.50 2.20 0.00 3.32 3.02 0.13 -1.97 115.26 126.47 2e9h n ASN 84 Ca -0.15 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2e9h n ASN 84 Cb 0.44 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 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 2.68 1.89 3.48 7.41 0.00 -1.24 -4.58 105.19 114.84 2e9h n GLY 85 Ca 0.17 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 5.10 -0.20 1.61 0.15 -1.26 -0.21 113.70 118.89 2e9h s SER 86 Ca 0.00 -0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.42 2e9h s SER 86 Cb 0.00 -1.89 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 2e9h s SER 86 CO 0.00 0.05 0.43 -1.00 1.20 0.00 0.00 173.24 173.92 2e9h s HIS 87 N 1.10 -0.76 0.29 3.44 3.76 -1.26 -5.00 115.29 116.86 2e9h s HIS 87 Ca 0.03 1.50 -0.26 0.00 -0.15 0.00 0.00 55.06 56.18 2e9h s HIS 87 Cb -0.14 0.32 -0.09 0.00 1.11 0.00 0.00 32.58 33.77 2e9h s HIS 87 CO 0.02 -0.44 0.91 -1.83 -0.85 0.00 0.00 174.74 172.55 2e9h s GLU 88 N 2.18 4.59 0.28 1.40 -1.05 -1.26 -4.81 118.70 120.02 2e9h s GLU 88 Ca -0.05 1.29 -0.05 0.00 -0.15 0.00 0.00 54.97 56.01 2e9h s GLU 88 Cb -0.10 -2.91 0.53 0.00 -0.44 0.00 0.00 34.13 31.20 2e9h s GLU 88 CO -0.13 0.35 1.49 0.00 0.95 0.00 0.00 175.26 177.91 2e9h n ALA 89 N 0.78 0.31 -0.24 -0.84 0.00 -1.26 0.50 120.51 119.76 2e9h n ALA 89 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 53.44 54.50 2e9h n ALA 89 Cb 0.50 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 19.38 2e9h n ALA 89 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2e9h h ASN 90 N 0.00 -0.59 0.23 0.00 2.35 -1.92 0.16 115.58 115.82 2e9h h ASN 90 Ca 0.49 0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 56.44 2e9h h ASN 90 Cb 0.85 0.42 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2e9h h ASN 90 CO -0.95 -0.22 -0.11 0.50 -1.65 0.00 0.00 177.43 174.99 2e9h h LYS 91 N 0.02 -0.30 -0.83 0.81 3.11 -0.32 -3.18 116.57 115.88 2e9h h LYS 91 Ca 0.35 0.02 0.21 0.00 -2.81 0.00 0.00 60.65 58.42 2e9h h LYS 91 Cb 0.56 0.07 -0.14 0.00 -1.00 0.00 0.00 32.23 31.72 2e9h h LYS 91 CO -0.71 0.07 0.08 -0.07 -2.81 0.00 0.00 179.45 176.00 2e9h h LEU 92 N -0.77 -0.26 -0.41 5.20 3.38 -0.44 0.15 115.31 122.16 2e9h h LEU 92 Ca -0.03 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2e9h h LEU 92 Cb 0.50 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2e9h h LEU 92 CO 0.05 -0.20 -0.06 -0.61 0.09 0.00 0.00 178.44 177.71 2e9h h GLN 93 N 0.12 0.04 0.06 1.13 -0.00 -0.72 0.36 115.11 116.10 2e9h h GLN 93 Ca 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.13 2e9h h GLN 93 Cb 0.92 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.39 2e9h h GLN 93 CO -0.71 0.02 -0.05 0.22 0.00 0.00 0.00 178.83 178.32 2e9h h ASP 94 N 0.04 -0.12 -0.67 -0.69 3.58 -0.72 0.20 116.42 118.04 2e9h h ASP 94 Ca 0.20 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.75 2e9h h ASP 94 Cb 0.30 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 2e9h h ASP 94 CO -0.39 -0.08 0.30 0.24 -2.88 0.00 0.00 179.24 176.43 2e9h h MET 95 N -0.12 0.50 -0.34 0.28 2.86 -0.69 -1.54 114.93 115.88 2e9h h MET 95 Ca -0.00 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 2e9h h MET 95 Cb 0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2e9h h MET 95 CO -0.00 0.33 -0.34 1.25 1.06 0.00 0.00 176.91 179.20 2e9h h LEU 96 N 0.51 0.80 -0.69 1.22 5.85 -0.64 -3.27 115.31 119.09 2e9h h LEU 96 Ca 0.33 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2e9h h LEU 96 Cb 0.38 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 2e9h h LEU 96 CO -0.29 1.07 -0.35 -0.67 -0.34 0.00 0.00 178.44 177.86 2e9h n ASP 97 N -4.06 -0.62 -0.20 1.25 2.03 0.68 0.39 116.55 116.01 2e9h n ASP 97 Ca -0.01 1.22 -0.06 0.00 0.52 0.00 0.00 54.79 56.45 2e9h n ASP 97 Cb 0.50 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.24 0.62 0.27 0.00 -1.62 0.14 103.07 102.24 2e9h h GLY 98 Ca 0.16 0.48 0.06 0.00 0.00 0.00 0.00 47.33 48.03 2e9h h GLY 98 CO -0.66 -0.19 0.20 -2.75 0.00 0.00 0.00 176.54 173.13 2e9h h PHE 99 N -0.19 0.35 0.00 5.60 3.04 -0.25 0.16 116.94 125.65 2e9h h PHE 99 Ca 0.21 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.18 2e9h h PHE 99 Cb 0.56 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.98 2e9h h PHE 99 CO -0.66 0.14 0.00 -0.89 -2.02 0.00 0.00 178.31 174.88 2e9h n ILE 100 N -4.97 0.00 -0.02 1.41 5.41 -0.20 -0.48 119.36 120.50 2e9h n ILE 100 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.82 2e9h n ILE 100 Cb 0.17 -0.30 -0.10 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.69 0.87 -0.03 0.38 3.00 0.49 -3.19 118.16 118.99 2e9h n LYS 101 Ca 0.07 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.31 58.23 2e9h n LYS 101 Cb 0.03 -1.33 -0.02 0.00 0.00 0.00 0.00 35.03 33.71 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 -2.13 0.14 0.32 1.64 2.85 -0.80 -4.43 118.16 115.76 2e9h n LYS 102 Ca -0.08 0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.11 2e9h n LYS 102 Cb 0.52 -0.74 -0.06 0.00 -0.65 0.00 0.00 35.03 34.10 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 -0.25 -0.78 0.00 5.58 -1.00 -1.02 -3.39 116.94 116.08 2e9h h PHE 103 Ca -0.14 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.62 2e9h h PHE 103 Cb 0.99 0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2e9h h PHE 103 CO -0.04 -0.49 0.00 0.28 -1.61 0.00 0.00 178.31 176.46 2e9h n VAL 104 N -4.75 0.00 -0.77 -0.55 0.31 -1.18 -4.83 118.33 106.57 2e9h n VAL 104 Ca -0.10 0.88 -0.29 0.00 -0.01 0.00 0.00 64.34 64.82 2e9h n VAL 104 Cb 0.33 -1.69 0.21 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.41 1.57 -0.15 7.52 1.43 -1.19 -4.41 118.68 121.04 2e9h s LEU 105 Ca 0.00 1.61 -0.07 0.00 -1.03 0.00 0.00 54.13 54.64 2e9h s LEU 105 Cb 0.00 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2e9h s LEU 105 CO 0.00 -3.59 0.11 0.00 0.23 0.00 0.00 176.35 173.10 2e9h n PRO 107 N 2.72 0.49 0.00 0.00 -0.04 -1.26 0.18 135.00 137.08 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.70 0.00 -0.00 0.54 1.02 -1.26 -4.84 120.64 115.40 2e9h n GLU 108 Ca 0.05 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 2e9h n GLU 108 Cb 0.02 -0.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.95 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2e9h n GLU 110 N -1.22 -5.74 -4.22 0.00 -0.58 0.47 -4.82 120.64 104.53 2e9h n GLU 110 Ca 0.02 0.65 -0.34 0.00 -0.42 0.00 0.00 57.16 57.06 2e9h n GLU 110 Cb 0.14 -5.47 -0.11 0.00 -0.57 0.00 0.00 31.44 25.44 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 -3.66 5.17 0.00 1.62 2.47 -1.26 -4.39 114.94 114.89 2e9h s ASN 111 Ca 0.43 -0.03 0.10 0.00 0.42 0.00 0.00 52.86 53.78 2e9h s ASN 111 Cb -0.21 -1.86 0.61 0.00 -1.45 0.00 0.00 41.25 38.33 2e9h s ASN 111 CO 0.81 0.17 1.04 -0.81 -3.72 0.00 0.00 177.10 174.59 2e9h n PRO 112 N 3.52 0.49 -1.03 0.43 -0.04 -1.26 -3.21 135.00 133.90 2e9h n PRO 112 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 2e9h n PRO 112 Cb 0.52 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 2e9h n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 113 N -0.82 1.97 -4.16 0.54 1.02 -1.26 -4.89 120.64 113.04 2e9h n GLU 113 Ca 0.08 -1.81 -0.28 0.00 -0.02 0.00 0.00 57.16 55.12 2e9h n GLU 113 Cb 0.03 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 2e9h n GLU 113 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2e9h s THR 114 N -2.42 1.56 0.28 2.62 -4.23 -1.24 -4.60 115.64 107.61 2e9h s THR 114 Ca 0.39 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 2e9h s THR 114 Cb 0.29 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 2e9h s THR 114 CO -0.05 0.00 0.38 -1.81 -0.54 0.00 0.00 174.62 172.61 2e9h s ASP 115 N -4.13 0.44 0.13 3.99 1.01 -1.25 -5.06 116.67 111.79 2e9h s ASP 115 Ca 0.26 -1.29 0.08 0.00 0.71 0.00 0.00 52.55 52.31 2e9h s ASP 115 Cb -0.01 0.57 -0.04 0.00 1.01 0.00 0.00 42.92 44.45 2e9h s ASP 115 CO 0.16 -1.13 -0.20 -0.76 0.21 0.00 0.00 175.17 173.45 2e9h s LEU 116 N -3.15 2.35 0.03 1.23 1.43 -1.26 -3.00 118.68 116.30 2e9h s LEU 116 Ca 0.30 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 2e9h s LEU 116 Cb 0.01 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2e9h s LEU 116 CO 0.15 0.03 -0.16 -1.00 0.23 0.00 0.00 176.35 175.59 2e9h s HIS 117 N -1.49 1.44 -0.06 0.29 3.76 0.31 -4.96 115.29 114.59 2e9h s HIS 117 Ca 0.10 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 2e9h s HIS 117 Cb -0.08 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.73 2e9h s HIS 117 CO 0.05 0.04 -0.17 0.54 -0.85 0.00 0.00 174.74 174.35 2e9h s VAL 118 N -0.73 1.48 -0.27 -0.90 0.11 -1.26 -1.36 120.40 117.46 2e9h s VAL 118 Ca 0.04 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2e9h s VAL 118 Cb -0.08 -1.28 0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2e9h s VAL 118 CO 0.01 0.43 -0.03 0.20 -3.33 0.00 0.00 175.10 172.37 2e9h s ASN 119 N 0.19 4.59 0.28 3.54 0.01 -1.12 -4.98 114.94 117.45 2e9h s ASN 119 Ca -0.08 -1.06 0.06 0.00 -0.71 0.00 0.00 52.86 51.08 2e9h s ASN 119 Cb -0.13 -1.68 0.41 0.00 0.41 0.00 0.00 41.25 40.25 2e9h s ASN 119 CO 0.03 -0.19 1.67 1.55 -1.51 0.00 0.00 177.10 178.65 2e9h h PRO 120 N 8.00 0.22 0.00 -0.60 0.13 -1.95 0.31 132.00 138.11 2e9h h PRO 120 Ca -0.27 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2e9h h PRO 120 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2e9h h PRO 120 CO 0.55 0.64 -0.00 0.87 -0.23 0.00 0.00 178.00 179.83 2e9h h LYS 121 N 0.18 -0.00 0.00 0.86 1.79 -1.98 -3.32 116.57 114.09 2e9h h LYS 121 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2e9h h LYS 121 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2e9h h LYS 121 CO 0.07 0.34 0.00 1.63 -1.08 0.00 0.00 179.45 180.41 2e9h n LYS 122 N -4.72 0.19 -3.91 3.15 4.76 -1.25 -4.90 118.16 111.47 2e9h n LYS 122 Ca -0.03 0.36 -0.25 0.00 -2.87 0.00 0.00 58.31 55.52 2e9h n LYS 122 Cb 0.16 -1.83 -0.01 0.00 -1.84 0.00 0.00 35.03 31.51 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -2.19 -3.44 -3.81 1.97 1.13 0.11 -4.97 117.38 106.18 2e9h n GLN 123 Ca 0.03 0.43 -0.13 0.00 -1.94 0.00 0.00 57.00 55.40 2e9h n GLN 123 Cb 0.27 -4.59 -0.12 0.00 0.11 0.00 0.00 30.24 25.90 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 -3.91 -0.00 0.16 5.09 -4.23 -1.16 -5.00 115.64 106.59 2e9h s THR 124 Ca 0.01 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 2e9h s THR 124 Cb -0.00 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.53 2e9h s THR 124 CO 0.88 0.00 0.52 -0.63 -0.54 0.00 0.00 174.62 174.86 2e9h s ILE 125 N 0.16 4.92 -0.23 2.99 1.01 -1.26 -2.79 121.20 126.00 2e9h s ILE 125 Ca -0.01 0.64 -0.23 0.00 0.00 0.00 0.00 60.65 61.05 2e9h s ILE 125 Cb -0.02 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.83 2e9h s ILE 125 CO -0.00 0.14 0.65 -0.83 0.00 0.00 0.00 174.94 174.90 2e9h s GLY 126 N -1.95 -0.49 0.27 6.18 0.00 -0.46 -0.49 107.32 110.38 2e9h s GLY 126 Ca 0.40 1.78 0.08 0.00 0.00 0.00 0.00 44.72 46.98 2e9h s GLY 126 CO 0.20 1.52 0.18 0.54 0.00 0.00 0.00 173.10 175.54 2e9h s ASN 127 N 0.23 5.32 -0.13 1.64 2.20 -0.80 0.12 114.94 123.52 2e9h s ASN 127 Ca -0.01 -0.36 -0.04 0.00 -0.94 0.00 0.00 52.86 51.51 2e9h s ASN 127 Cb -0.04 -1.24 0.06 0.00 -2.00 0.00 0.00 41.25 38.02 2e9h s ASN 127 CO 0.01 -0.09 0.12 -0.94 -2.94 0.00 0.00 177.10 173.27 2e9h s SER 128 N -3.84 1.62 -0.10 3.54 1.04 -1.16 -3.03 113.70 111.77 2e9h s SER 128 Ca 0.34 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 2e9h s SER 128 Cb -0.07 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2e9h s SER 128 CO 0.24 -0.30 0.16 0.00 0.98 0.00 0.00 173.24 174.32 2e9h n LYS 130 N 1.91 0.82 -0.33 0.00 4.81 -1.26 -2.67 118.16 121.44 2e9h n LYS 130 Ca -0.19 0.07 -0.09 0.00 -0.87 0.00 0.00 58.31 57.23 2e9h n LYS 130 Cb 0.55 -1.41 -0.06 0.00 0.02 0.00 0.00 35.03 34.12 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2e9h h ALA 131 N 0.28 -0.41 0.00 3.14 0.00 -1.95 -3.26 119.26 117.06 2e9h h ALA 131 Ca -0.45 0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.22 2e9h h ALA 131 Cb 1.82 1.20 -0.06 0.00 0.00 0.00 0.00 17.79 20.75 2e9h h ALA 131 CO -0.04 -0.89 -2.29 0.00 0.00 0.00 0.00 179.25 176.03 2e9h n GLY 133 N 2.06 0.70 3.62 0.00 0.00 -1.20 -5.13 105.19 105.24 2e9h n GLY 133 Ca -0.42 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.33 2.94 0.05 1.61 6.14 -1.09 -4.95 117.35 121.72 2e9h s TYR 134 Ca 0.00 -0.01 -0.14 0.00 0.64 0.00 0.00 57.07 57.56 2e9h s TYR 134 Cb 0.00 -1.62 0.02 0.00 0.42 0.00 0.00 41.96 40.78 2e9h s TYR 134 CO 0.00 0.41 0.31 1.03 0.64 0.00 0.00 175.55 177.93 2e9h s ARG 135 N -1.53 0.83 0.00 4.97 0.52 -1.26 -0.20 118.95 122.28 2e9h s ARG 135 Ca 0.18 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2e9h s ARG 135 Cb -0.11 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.72 2e9h s ARG 135 CO 0.09 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2e9h n GLY 136 N 0.48 0.34 3.58 -3.53 0.00 -1.17 -5.02 105.19 99.87 2e9h n GLY 136 Ca -0.18 -1.23 -0.37 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 -2.00 3.92 0.16 1.61 -1.94 -1.26 -1.89 119.30 117.89 2e9h s MET 137 Ca 0.00 -0.34 -0.32 0.00 -1.71 0.00 0.00 55.69 53.32 2e9h s MET 137 Cb 0.00 -3.56 -0.10 0.00 2.01 0.00 0.00 34.83 33.18 2e9h s MET 137 CO 0.00 -0.13 1.59 -0.51 -0.01 0.00 0.00 175.02 175.96 2e9h s LEU 138 N 1.57 4.37 -0.49 -0.03 1.43 0.35 -4.82 118.68 121.06 2e9h s LEU 138 Ca 0.07 2.62 -0.45 0.00 -1.03 0.00 0.00 54.13 55.34 2e9h s LEU 138 Cb -0.15 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 42.28 2e9h s LEU 138 CO 0.08 -0.84 1.88 -0.67 0.23 0.00 0.00 176.35 177.03 2e9h n ASP 139 N 4.13 0.93 -4.46 2.29 -0.08 -1.26 -4.55 116.55 113.54 2e9h n ASP 139 Ca 0.14 0.88 -0.46 0.00 -1.51 0.00 0.00 54.79 53.85 2e9h n ASP 139 Cb 0.38 -0.88 -0.09 0.00 2.34 0.00 0.00 41.12 42.87 2e9h n ASP 139 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2e9h n THR 140 N 5.35 0.04 -0.17 5.18 -2.24 -1.26 -4.90 114.28 116.28 2e9h n THR 140 Ca 0.44 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2e9h n THR 140 Cb -0.05 -1.37 0.12 0.00 -2.10 0.00 0.00 70.33 66.93 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 11.05 -2.47 0.00 4.78 -0.00 -1.26 -5.01 115.22 122.31 2e9h n HIS 141 Ca 0.50 -0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.42 2e9h n HIS 141 Cb 0.20 -0.67 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 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 -4.08 0.00 -0.12 1.57 8.25 -1.26 -4.66 115.22 114.92 2e9h n HIS 142 Ca 0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 2e9h n HIS 142 Cb 0.25 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2e9h n LYS 143 N -1.99 0.60 -0.07 -0.41 3.00 -1.26 -4.50 118.16 113.53 2e9h n LYS 143 Ca 0.00 0.32 -0.02 0.00 -0.00 0.00 0.00 58.31 58.61 2e9h n LYS 143 Cb 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 35.03 33.45 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 -4.14 -0.17 -0.28 3.14 7.94 -1.26 0.23 117.00 122.46 2e9h n LEU 144 Ca -0.48 0.92 0.03 0.00 -1.11 0.00 0.00 56.01 55.38 2e9h n LEU 144 Cb 0.86 -0.35 0.09 0.00 0.53 0.00 0.00 43.42 44.54 2e9h n LEU 144 CO 0.11 -0.55 0.49 0.00 -1.11 0.00 0.00 177.39 176.33 2e9h h THR 146 N 0.00 0.72 -0.03 0.00 2.02 -0.45 -0.09 112.91 115.08 2e9h h THR 146 Ca 0.34 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2e9h h THR 146 Cb 0.53 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2e9h h THR 146 CO -0.78 0.12 -0.07 0.15 0.37 0.00 0.00 175.52 175.31 2e9h h PHE 147 N 0.64 0.14 -0.23 3.16 3.57 0.30 -2.89 116.94 121.63 2e9h h PHE 147 Ca 0.48 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.99 2e9h h PHE 147 Cb 0.68 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 2e9h h PHE 147 CO -0.08 0.65 -0.23 0.82 -2.23 0.00 0.00 178.31 177.24 2e9h h ILE 148 N -0.42 0.41 0.32 1.41 2.04 -0.30 -0.57 117.51 120.41 2e9h h ILE 148 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2e9h h ILE 148 Cb 0.64 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2e9h h ILE 148 CO 0.02 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.60 2e9h h LEU 149 N -0.24 -1.41 -1.08 1.44 3.38 -1.11 -1.71 115.31 114.58 2e9h h LEU 149 Ca 0.13 0.13 0.27 0.00 0.09 0.00 0.00 57.88 58.50 2e9h h LEU 149 Cb 0.45 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 2e9h h LEU 149 CO -0.37 -0.59 0.61 0.11 0.09 0.00 0.00 178.44 178.29 2e9h h LYS 150 N -0.86 0.48 -3.64 1.13 6.56 -1.27 -3.32 116.57 115.65 2e9h h LYS 150 Ca -0.04 -0.03 -0.57 0.00 -1.06 0.00 0.00 60.65 58.95 2e9h h LYS 150 Cb 0.79 -0.11 -0.40 0.00 -0.57 0.00 0.00 32.23 31.94 2e9h h LYS 150 CO -0.15 0.32 -0.76 0.54 -2.06 0.00 0.00 179.45 177.34 2e9h s ASN 151 N -5.14 3.81 0.92 0.86 2.20 -0.25 -5.11 114.94 112.23 2e9h s ASN 151 Ca -0.10 -1.45 -0.12 0.00 -0.94 0.00 0.00 52.86 50.25 2e9h s ASN 151 Cb 0.27 -0.85 0.14 0.00 -2.00 0.00 0.00 41.25 38.81 2e9h s ASN 151 CO 0.80 -0.38 1.09 -2.16 -2.94 0.00 0.00 177.10 173.51 2e9h s PRO 152 N 1.63 1.10 0.86 3.55 0.04 -0.97 -4.40 135.00 136.82 2e9h s PRO 152 Ca 0.06 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2e9h s PRO 152 Cb -0.17 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2e9h s PRO 152 CO -0.20 -2.34 1.09 -1.25 0.04 0.00 0.00 177.00 174.35 2e9h s PRO 153 N -4.94 1.51 0.16 0.56 0.04 -1.26 -5.00 135.00 126.07 2e9h s PRO 153 Ca 0.64 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2e9h s PRO 153 Cb -0.18 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2e9h s PRO 153 CO 0.57 -2.09 1.02 -2.00 0.04 0.00 0.00 177.00 174.54 2e9h s GLU 154 N -4.93 4.67 0.59 4.56 2.56 -1.26 -5.05 118.70 119.84 2e9h s GLU 154 Ca 0.63 1.58 -0.02 0.00 0.00 0.00 0.00 54.97 57.16 2e9h s GLU 154 Cb -0.18 -3.32 0.03 0.00 2.00 0.00 0.00 34.13 32.67 2e9h s GLU 154 CO 0.57 0.19 0.85 -0.80 -0.56 0.00 0.00 175.26 175.50 2e9h s ASN 155 N -0.22 5.25 0.14 -1.70 -0.87 -1.26 -5.12 114.94 111.17 2e9h s ASN 155 Ca 0.47 0.24 0.06 0.00 -1.57 0.00 0.00 52.86 52.07 2e9h s ASN 155 Cb -0.26 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.25 39.80 2e9h s ASN 155 CO 0.32 -1.21 -0.13 -0.44 -2.57 0.00 0.00 177.10 173.07 2e9h s SER 156 N -4.41 2.06 0.00 -1.22 0.01 -1.26 -5.31 113.70 103.57 2e9h s SER 156 Ca 0.57 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2e9h s SER 156 Cb -0.10 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.11 2e9h s SER 156 CO 0.41 -0.19 0.69 0.47 0.41 0.00 0.00 173.24 175.03