#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 5.04 0.13 1.61 1.04 -1.26 -5.01 113.70 115.25 2e9h s SER 2 Ca 0.00 0.14 -0.32 0.00 0.48 0.00 0.00 55.95 56.25 2e9h s SER 2 Cb 0.00 -0.90 -0.09 0.00 0.10 0.00 0.00 66.02 65.13 2e9h s SER 2 CO 0.00 -1.36 1.56 -1.28 0.98 0.00 0.00 173.24 173.14 2e9h h SER 3 N -0.22 -1.56 -0.08 7.02 0.87 -2.08 -3.47 113.55 114.03 2e9h h SER 3 Ca -0.43 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2e9h h SER 3 Cb 1.30 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 2e9h h SER 3 CO 0.54 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 2e9h n GLY 4 N -1.43 3.86 3.69 5.77 0.00 -1.26 -5.12 105.19 110.69 2e9h n GLY 4 Ca -0.05 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 2e9h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e9h n SER 5 N -0.10 3.73 -4.61 1.61 7.64 -1.26 -4.96 113.62 115.67 2e9h n SER 5 Ca 0.00 1.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.62 2e9h n SER 5 Cb 0.00 -1.50 0.20 0.00 -1.01 0.00 0.00 64.21 61.90 2e9h n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e9h s SER 6 N 2.12 2.13 0.00 6.43 1.04 -1.26 -5.01 113.70 119.15 2e9h s SER 6 Ca 0.81 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2e9h s SER 6 Cb -0.56 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2e9h s SER 6 CO 0.38 -3.47 0.00 0.61 0.98 0.00 0.00 173.24 171.74 2e9h n GLY 7 N -0.27 2.33 3.57 7.32 0.00 -1.26 -5.16 105.19 111.72 2e9h n GLY 7 Ca 0.05 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 2e9h n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e9h s MET 8 N -1.84 1.91 -0.08 1.61 1.00 -1.26 -5.15 119.30 115.48 2e9h s MET 8 Ca 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 55.69 53.60 2e9h s MET 8 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 34.83 33.73 2e9h s MET 8 CO 0.00 -0.28 -0.19 -1.12 0.00 0.00 0.00 175.02 173.43 2e9h s SER 9 N -3.65 3.52 0.18 3.03 0.01 -1.26 -4.34 113.70 111.19 2e9h s SER 9 Ca 0.26 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.04 2e9h s SER 9 Cb 0.06 -1.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.12 2e9h s SER 9 CO 0.13 0.24 0.46 0.68 0.41 0.00 0.00 173.24 175.15 2e9h s VAL 10 N -0.09 5.05 0.91 3.43 -7.23 0.97 -4.64 120.40 118.80 2e9h s VAL 10 Ca -0.04 0.26 -0.16 0.00 -1.81 0.00 0.00 61.98 60.23 2e9h s VAL 10 Cb -0.14 -3.62 -0.14 0.00 0.56 0.00 0.00 36.38 33.03 2e9h s VAL 10 CO 0.04 0.00 -0.71 0.59 -0.31 0.00 0.00 175.10 174.72 2e9h n ASN 11 N 0.04 -5.56 -0.16 4.85 4.13 -1.26 -0.39 115.26 116.91 2e9h n ASN 11 Ca -0.01 0.21 0.27 0.00 1.68 0.00 0.00 54.58 56.73 2e9h n ASN 11 Cb 0.52 -0.73 0.71 0.00 -1.54 0.00 0.00 39.78 38.74 2e9h n ASN 11 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2e9h h VAL 12 N -0.86 0.58 -3.88 2.41 2.07 -1.83 -3.38 116.25 111.36 2e9h h VAL 12 Ca -0.42 -0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.82 2e9h h VAL 12 Cb 1.25 0.56 -0.26 0.00 -1.52 0.00 0.00 31.29 31.32 2e9h h VAL 12 CO 0.24 0.00 -0.74 0.20 0.02 0.00 0.00 177.57 177.29 2e9h s ASN 13 N -5.71 0.46 -0.25 0.57 0.01 -1.26 -4.94 114.94 103.82 2e9h s ASN 13 Ca -0.05 -0.19 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2e9h s ASN 13 Cb 0.21 -0.02 0.38 0.00 0.41 0.00 0.00 41.25 42.24 2e9h s ASN 13 CO 0.77 -0.03 1.52 0.54 -1.51 0.00 0.00 177.10 178.38 2e9h n ARG 14 N 2.60 1.74 -0.07 -0.60 5.12 -1.26 -3.94 116.66 120.26 2e9h n ARG 14 Ca -0.15 -1.72 -0.08 0.00 -1.93 0.00 0.00 57.85 53.96 2e9h n ARG 14 Cb 0.58 -1.68 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 2e9h n ARG 14 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2e9h n SER 15 N -0.43 2.53 0.15 0.55 7.64 -1.26 -4.54 113.62 118.26 2e9h n SER 15 Ca 0.34 -0.05 0.02 0.00 1.01 0.00 0.00 58.87 60.20 2e9h n SER 15 Cb 1.17 0.21 0.38 0.00 -1.01 0.00 0.00 64.21 64.95 2e9h n SER 15 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2e9h h VAL 16 N 0.00 1.21 -6.83 0.44 3.04 -2.01 -3.46 116.25 108.64 2e9h h VAL 16 Ca -0.33 -0.98 -0.55 0.00 -1.01 0.00 0.00 66.70 63.84 2e9h h VAL 16 Cb 1.60 1.41 -0.20 0.00 -2.01 0.00 0.00 31.29 32.09 2e9h h VAL 16 CO -0.02 0.29 -0.85 -0.24 -1.01 0.00 0.00 177.57 175.74 2e9h n SER 17 N -4.20 0.56 -3.91 3.17 2.88 -1.26 -4.91 113.62 105.95 2e9h n SER 17 Ca -0.01 -1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 56.29 2e9h n SER 17 Cb 0.33 -1.40 -0.11 0.00 -0.75 0.00 0.00 64.21 62.27 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 -4.08 0.08 -0.25 -3.46 2.15 -1.26 -5.04 116.67 104.81 2e9h s ASP 18 Ca 0.09 -0.20 -0.02 0.00 0.43 0.00 0.00 52.55 52.85 2e9h s ASP 18 Cb -0.05 0.14 0.10 0.00 -0.30 0.00 0.00 42.92 42.81 2e9h s ASP 18 CO 0.88 -0.23 2.29 0.00 -0.17 0.00 0.00 175.17 177.95 2e9h n GLN 19 N 2.04 1.75 -0.02 4.34 10.64 -1.26 -3.85 117.38 131.03 2e9h n GLN 19 Ca -0.20 -1.32 -0.03 0.00 -1.83 0.00 0.00 57.00 53.63 2e9h n GLN 19 Cb 0.57 -1.61 -0.02 0.00 -0.86 0.00 0.00 30.24 28.31 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 0.88 0.00 -1.47 2.61 3.01 -1.26 -5.00 117.46 116.23 2e9h n PHE 20 Ca 0.28 0.00 -0.56 0.00 1.01 0.00 0.00 57.45 58.18 2e9h n PHE 20 Cb 0.59 -0.17 -0.09 0.00 -0.01 0.00 0.00 39.48 39.81 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 -2.50 1.60 0.00 1.38 4.19 -1.25 -4.87 117.16 115.70 2e9h n TYR 21 Ca -0.07 0.51 0.00 0.00 3.31 0.00 0.00 57.90 61.65 2e9h n TYR 21 Cb 0.59 -2.44 0.00 0.00 0.49 0.00 0.00 39.34 37.98 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 7.16 0.00 -1.75 2.98 0.63 -1.26 -4.70 116.66 119.72 2e9h n ARG 22 Ca 0.41 0.47 -0.42 0.00 -0.92 0.00 0.00 57.85 57.40 2e9h n ARG 22 Cb 0.12 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 2e9h n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2e9h s TYR 23 N -2.65 2.74 0.38 -0.14 2.02 -1.26 -5.01 117.35 113.43 2e9h s TYR 23 Ca 0.00 0.72 0.04 0.00 -0.37 0.00 0.00 57.07 57.46 2e9h s TYR 23 Cb 0.00 -4.10 -0.05 0.00 -0.40 0.00 0.00 41.96 37.41 2e9h s TYR 23 CO 0.00 -3.74 0.06 0.15 -1.57 0.00 0.00 175.55 170.44 2e9h s LYS 24 N -0.36 1.84 -0.19 -0.62 -0.14 -1.26 -3.28 119.74 115.73 2e9h s LYS 24 Ca 0.65 -2.07 -0.17 0.00 -1.36 0.00 0.00 55.97 53.01 2e9h s LYS 24 Cb -0.48 -1.03 0.05 0.00 -1.68 0.00 0.00 37.83 34.68 2e9h s LYS 24 CO 0.47 -0.25 0.51 0.00 -0.76 0.00 0.00 175.35 175.31 2e9h s MET 25 N -3.82 0.58 0.23 1.68 0.23 0.48 -4.69 119.30 114.00 2e9h s MET 25 Ca 0.29 0.73 -0.30 0.00 -1.03 0.00 0.00 55.69 55.39 2e9h s MET 25 Cb 0.07 0.26 -0.09 0.00 -1.53 0.00 0.00 34.83 33.54 2e9h s MET 25 CO 0.14 -0.08 1.28 -1.25 -2.03 0.00 0.00 175.02 173.08 2e9h s PRO 26 N 0.40 4.42 0.28 3.16 0.04 -1.26 -0.02 135.00 142.01 2e9h s PRO 26 Ca -0.01 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2e9h s PRO 26 Cb -0.04 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.20 2e9h s PRO 26 CO -0.01 -0.18 1.35 0.54 0.04 0.00 0.00 177.00 178.74 2e9h n ARG 27 N 2.14 2.05 -2.43 4.56 5.12 -1.26 -4.72 116.66 122.12 2e9h n ARG 27 Ca 0.04 0.72 -0.36 0.00 -1.93 0.00 0.00 57.85 56.32 2e9h n ARG 27 Cb 0.43 -2.35 -0.03 0.00 -1.16 0.00 0.00 32.46 29.36 2e9h n ARG 27 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2e9h s LEU 28 N -0.27 4.03 -0.01 0.55 0.05 -1.26 -4.97 118.68 116.79 2e9h s LEU 28 Ca 0.63 2.12 0.05 0.00 0.05 0.00 0.00 54.13 56.99 2e9h s LEU 28 Cb -0.62 -4.29 -0.03 0.00 -2.05 0.00 0.00 46.19 39.20 2e9h s LEU 28 CO 0.54 -0.73 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.82 2e9h s ILE 29 N -1.68 2.85 -0.03 1.48 1.01 -1.26 -4.91 121.20 118.66 2e9h s ILE 29 Ca 0.62 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.41 2e9h s ILE 29 Cb -0.23 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2e9h s ILE 29 CO 0.29 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.48 2e9h s ALA 30 N -0.79 2.22 -0.17 9.38 0.00 -1.26 -2.70 121.76 128.44 2e9h s ALA 30 Ca 0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2e9h s ALA 30 Cb -0.10 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2e9h s ALA 30 CO 0.02 0.50 -0.08 0.21 0.00 0.00 0.00 175.76 176.41 2e9h s LYS 31 N -0.49 3.41 -0.00 0.00 2.47 -0.47 -4.81 119.74 119.84 2e9h s LYS 31 Ca 0.06 -0.64 0.02 0.00 -1.56 0.00 0.00 55.97 53.85 2e9h s LYS 31 Cb -0.11 -2.82 -0.00 0.00 -1.46 0.00 0.00 37.83 33.43 2e9h s LYS 31 CO 0.00 0.04 -0.06 0.08 0.16 0.00 0.00 175.35 175.57 2e9h s VAL 32 N 0.84 0.45 0.02 4.02 1.01 -1.26 -0.88 120.40 124.60 2e9h s VAL 32 Ca -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2e9h s VAL 32 Cb -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2e9h s VAL 32 CO 0.01 0.12 -0.04 -1.61 0.00 0.00 0.00 175.10 173.58 2e9h s GLU 33 N -0.14 0.34 0.41 2.72 0.41 -1.26 -5.01 118.70 116.16 2e9h s GLU 33 Ca 0.02 -0.56 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 2e9h s GLU 33 Cb -0.02 -0.05 0.00 0.00 -1.78 0.00 0.00 34.13 32.28 2e9h s GLU 33 CO -0.00 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 2e9h n GLY 34 N 1.80 -2.16 2.79 -1.39 0.00 -1.26 -3.72 105.19 101.25 2e9h n GLY 34 Ca -0.22 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.57 0.94 0.00 1.61 1.02 -1.26 -4.36 119.74 114.12 2e9h s LYS 35 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2e9h s LYS 35 Cb 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 2e9h s LYS 35 CO 0.00 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 2e9h n GLY 36 N 4.90 2.96 2.25 -3.33 0.00 -1.26 -4.80 105.19 105.90 2e9h n GLY 36 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2e9h n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2e9h n ASN 37 N 0.16 6.31 0.00 1.61 6.94 -1.26 -4.65 115.26 124.37 2e9h n ASN 37 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 54.58 50.90 2e9h n ASN 37 Cb 0.00 -0.93 0.00 0.00 -2.36 0.00 0.00 39.78 36.49 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2e9h n GLY 38 N -0.89 1.88 3.66 4.83 0.00 -1.26 -4.97 105.19 108.44 2e9h n GLY 38 Ca 0.59 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 4.12 -0.01 -0.61 2.07 -1.24 -4.78 121.20 118.74 2e9h s ILE 39 Ca 0.00 1.35 -0.02 0.00 -1.41 0.00 0.00 60.65 60.57 2e9h s ILE 39 Cb 0.00 -3.88 0.00 0.00 0.13 0.00 0.00 42.46 38.71 2e9h s ILE 39 CO 0.00 -0.13 0.05 -1.59 -1.91 0.00 0.00 174.94 171.35 2e9h s LYS 40 N 3.65 0.12 -0.49 3.50 -2.85 -1.26 -3.56 119.74 118.85 2e9h s LYS 40 Ca 0.59 -0.05 -0.18 0.00 -1.00 0.00 0.00 55.97 55.33 2e9h s LYS 40 Cb -0.24 0.05 0.06 0.00 -2.06 0.00 0.00 37.83 35.64 2e9h s LYS 40 CO 0.18 -0.02 0.56 0.99 0.10 0.00 0.00 175.35 177.16 2e9h s THR 41 N -0.26 4.97 -0.43 3.79 2.01 -0.38 -4.07 115.64 121.28 2e9h s THR 41 Ca -0.03 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 2e9h s THR 41 Cb -0.02 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.28 2e9h s THR 41 CO 0.00 -0.72 0.35 -0.69 -0.69 0.00 0.00 174.62 172.87 2e9h s VAL 42 N 2.37 5.22 -1.05 3.82 1.01 -0.06 -0.04 120.40 131.66 2e9h s VAL 42 Ca 0.12 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2e9h s VAL 42 Cb -0.20 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2e9h s VAL 42 CO 0.11 -0.40 1.75 -0.63 0.00 0.00 0.00 175.10 175.93 2e9h s ILE 43 N 1.77 3.72 0.08 2.22 1.01 -0.79 -1.37 121.20 127.84 2e9h s ILE 43 Ca 0.06 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 2e9h s ILE 43 Cb -0.20 -4.63 -0.17 0.00 0.01 0.00 0.00 42.46 37.48 2e9h s ILE 43 CO 0.10 -1.44 1.69 0.58 0.00 0.00 0.00 174.94 175.87 2e9h h VAL 44 N 6.66 0.70 -0.07 2.92 2.07 -1.78 -2.62 116.25 124.13 2e9h h VAL 44 Ca 0.21 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 2e9h h VAL 44 Cb 0.97 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2e9h h VAL 44 CO 1.32 0.00 0.03 -3.20 0.02 0.00 0.00 177.57 175.74 2e9h n ASN 45 N -5.27 5.49 -0.03 0.57 5.15 -1.25 -4.15 115.26 115.77 2e9h n ASN 45 Ca -0.10 -2.50 -0.19 0.00 -0.60 0.00 0.00 54.58 51.19 2e9h n ASN 45 Cb 0.18 -1.14 -0.13 0.00 -0.53 0.00 0.00 39.78 38.16 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 1.22 0.13 -0.09 1.20 1.85 -1.77 -3.26 114.93 114.21 2e9h h MET 46 Ca 0.05 -0.23 -0.01 0.00 -0.61 0.00 0.00 59.70 58.90 2e9h h MET 46 Cb 1.02 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.13 2e9h h MET 46 CO 0.12 1.11 0.02 0.28 -0.40 0.00 0.00 176.91 178.04 2e9h h VAL 47 N -0.67 1.20 -0.00 -5.77 2.07 -1.82 -2.67 116.25 108.58 2e9h h VAL 47 Ca -0.18 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2e9h h VAL 47 Cb 1.41 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2e9h h VAL 47 CO 0.01 0.17 -0.03 0.44 0.02 0.00 0.00 177.57 178.18 2e9h h ASP 48 N -0.06 -0.09 -0.97 0.57 5.19 -1.85 -1.62 116.42 117.58 2e9h h ASP 48 Ca 0.03 0.01 0.31 0.00 -0.62 0.00 0.00 57.03 56.76 2e9h h ASP 48 Cb 0.25 0.04 -0.16 0.00 0.18 0.00 0.00 39.33 39.64 2e9h h ASP 48 CO 0.00 -0.03 0.42 -0.37 -3.12 0.00 0.00 179.24 176.14 2e9h h VAL 49 N -0.04 0.22 0.08 -1.35 -1.51 -1.64 0.81 116.25 112.82 2e9h h VAL 49 Ca 0.00 -0.07 0.02 0.00 -1.23 0.00 0.00 66.70 65.43 2e9h h VAL 49 Cb 0.04 -0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.16 2e9h h VAL 49 CO -0.02 0.04 -0.32 0.00 -1.23 0.00 0.00 177.57 176.04 2e9h h ALA 50 N 1.88 -0.52 -0.78 5.19 0.00 -0.97 -2.03 119.26 122.04 2e9h h ALA 50 Ca 0.70 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.73 2e9h h ALA 50 Cb 1.60 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 2e9h h ALA 50 CO -0.68 -0.85 0.29 0.87 0.00 0.00 0.00 179.25 178.87 2e9h h LYS 51 N -0.52 0.39 -0.78 0.00 6.56 0.05 0.17 116.57 122.44 2e9h h LYS 51 Ca 0.04 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.70 2e9h h LYS 51 Cb 0.57 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.09 2e9h h LYS 51 CO -0.21 0.26 0.51 0.00 -2.06 0.00 0.00 179.45 177.95 2e9h h ALA 52 N 1.59 1.76 -0.31 3.86 0.00 -1.05 0.19 119.26 125.30 2e9h h ALA 52 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2e9h h ALA 52 Cb 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2e9h h ALA 52 CO -0.45 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.16 2e9h n LEU 53 N -4.50 2.82 -1.97 0.00 4.77 0.57 -4.87 117.00 113.81 2e9h n LEU 53 Ca 0.13 -1.42 -0.08 0.00 -0.03 0.00 0.00 56.01 54.61 2e9h n LEU 53 Cb 0.32 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2e9h n LEU 53 CO 0.32 0.45 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.54 2e9h n ASN 54 N 0.39 -2.55 -4.11 -1.43 5.15 0.67 -4.90 115.26 108.48 2e9h n ASN 54 Ca 0.13 0.26 -0.15 0.00 -0.60 0.00 0.00 54.58 54.22 2e9h n ASN 54 Cb 0.57 -2.35 -0.11 0.00 -0.53 0.00 0.00 39.78 37.35 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2e9h s ARG 55 N -4.08 0.65 0.56 1.20 0.52 -0.91 -5.01 118.95 111.88 2e9h s ARG 55 Ca 0.00 -0.86 -0.19 0.00 -0.52 0.00 0.00 55.73 54.16 2e9h s ARG 55 Cb 0.00 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.94 2e9h s ARG 55 CO 0.00 0.09 1.13 -1.25 0.02 0.00 0.00 175.30 175.29 2e9h s PRO 56 N -1.76 3.26 0.27 3.54 0.04 -1.26 -3.69 135.00 135.39 2e9h s PRO 56 Ca -0.06 1.57 0.24 0.00 0.04 0.00 0.00 61.00 62.79 2e9h s PRO 56 Cb -0.09 -2.00 1.01 0.00 0.04 0.00 0.00 34.50 33.46 2e9h s PRO 56 CO 0.01 -0.92 1.72 -0.35 0.04 0.00 0.00 177.00 177.50 2e9h n PRO 57 N -1.50 0.20 0.26 0.56 -0.04 -1.26 -2.61 135.00 130.61 2e9h n PRO 57 Ca 0.11 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2e9h n PRO 57 Cb 0.51 -1.89 0.70 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.49 0.50 0.52 1.35 -1.96 0.09 112.91 113.90 2e9h h THR 58 Ca 0.00 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 2e9h h THR 58 Cb 0.36 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2e9h h THR 58 CO 0.00 0.12 -0.24 1.88 -0.25 0.00 0.00 175.52 177.03 2e9h h TYR 59 N 0.00 -0.62 0.02 4.73 0.05 -1.90 -3.21 116.97 116.04 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 0.41 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2e9h h TYR 59 CO 0.00 -0.35 -0.01 -1.00 -1.05 0.00 0.00 178.16 175.75 2e9h h PRO 60 N -1.14 -0.02 -0.99 4.88 0.13 -1.73 -2.97 132.00 130.16 2e9h h PRO 60 Ca -0.07 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.37 2e9h h PRO 60 Cb 0.55 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.50 2e9h h PRO 60 CO 0.11 0.46 0.14 2.41 -0.23 0.00 0.00 178.00 180.89 2e9h n THR 61 N -4.87 -0.41 0.04 1.56 -1.04 0.01 0.17 114.28 109.75 2e9h n THR 61 Ca -0.08 2.13 -0.09 0.00 -2.04 0.00 0.00 64.05 63.97 2e9h n THR 61 Cb 0.25 -3.19 0.04 0.00 -1.82 0.00 0.00 70.33 65.61 2e9h n THR 61 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2e9h h LYS 62 N 0.00 0.43 0.11 -2.82 1.63 -1.58 -3.27 116.57 111.07 2e9h h LYS 62 Ca 0.65 -0.32 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 2e9h h LYS 62 Cb 1.46 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 33.13 2e9h h LYS 62 CO -0.89 0.95 -0.16 -0.92 -3.45 0.00 0.00 179.45 174.97 2e9h h TYR 63 N 0.30 -0.43 -0.32 1.91 3.20 0.19 -2.42 116.97 119.41 2e9h h TYR 63 Ca -0.02 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2e9h h TYR 63 Cb 1.23 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.60 2e9h h TYR 63 CO 0.04 -0.25 -0.45 0.74 -1.64 0.00 0.00 178.16 176.61 2e9h h PHE 64 N -0.33 -1.30 -0.92 -3.82 0.04 -1.27 -0.28 116.94 109.05 2e9h h PHE 64 Ca 0.02 0.06 0.19 0.00 2.80 0.00 0.00 57.97 61.04 2e9h h PHE 64 Cb 0.34 0.61 -0.11 0.00 2.20 0.00 0.00 35.95 39.00 2e9h h PHE 64 CO -0.16 -0.46 0.49 0.78 -0.60 0.00 0.00 178.31 178.36 2e9h h GLY 65 N -0.39 1.59 0.71 -1.45 0.00 -1.57 0.92 103.07 102.87 2e9h h GLY 65 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2e9h h GLY 65 CO -0.52 -0.12 -0.47 0.00 0.00 0.00 0.00 176.54 175.43 2e9h h GLU 67 N -1.11 0.84 0.00 0.00 3.07 -0.87 -0.69 114.58 115.82 2e9h h GLU 67 Ca -0.09 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 2e9h h GLU 67 Cb 0.90 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2e9h h GLU 67 CO 0.07 0.55 -0.16 -0.07 -1.40 0.00 0.00 179.01 178.00 2e9h h LEU 68 N 0.86 0.00 1.09 1.33 3.38 -0.63 -3.47 115.31 117.87 2e9h h LEU 68 Ca 0.34 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.05 2e9h h LEU 68 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 2e9h h LEU 68 CO -0.17 0.16 -0.37 0.61 0.09 0.00 0.00 178.44 178.76 2e9h n GLY 69 N 0.53 -0.13 2.84 0.83 0.00 0.63 -5.02 105.19 104.87 2e9h n GLY 69 Ca 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.36 0.35 -2.19 4.61 0.00 -0.57 -5.02 120.51 115.33 2e9h n ALA 70 Ca -0.11 -1.78 -0.23 0.00 0.00 0.00 0.00 53.44 51.32 2e9h n ALA 70 Cb 0.60 0.99 0.02 0.00 0.00 0.00 0.00 19.45 21.06 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 -3.42 2.89 0.16 0.00 -0.21 -1.26 -4.64 119.66 113.18 2e9h s GLN 71 Ca 0.02 -0.47 -0.03 0.00 0.02 0.00 0.00 55.36 54.90 2e9h s GLN 71 Cb 0.00 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 2e9h s GLN 71 CO 0.01 -0.47 0.13 0.95 -2.12 0.00 0.00 175.29 173.79 2e9h s THR 72 N -2.69 0.06 0.02 -0.19 -4.23 -1.26 -1.00 115.64 106.34 2e9h s THR 72 Ca 0.52 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 2e9h s THR 72 Cb -0.10 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2e9h s THR 72 CO 0.39 -0.26 -0.10 -1.58 -0.54 0.00 0.00 174.62 172.53 2e9h s GLN 73 N -4.07 0.70 -0.12 3.99 0.74 -0.70 -4.94 119.66 115.26 2e9h s GLN 73 Ca 0.28 -0.56 -0.00 0.00 0.05 0.00 0.00 55.36 55.13 2e9h s GLN 73 Cb 0.06 -0.64 0.02 0.00 1.10 0.00 0.00 33.01 33.56 2e9h s GLN 73 CO 0.05 0.16 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.81 2e9h s PHE 74 N -0.70 1.55 -0.56 1.67 0.40 -1.26 -2.74 117.98 116.34 2e9h s PHE 74 Ca -0.01 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2e9h s PHE 74 Cb -0.06 -1.27 0.17 0.00 0.51 0.00 0.00 43.02 42.36 2e9h s PHE 74 CO 0.00 -0.53 0.41 0.34 0.70 0.00 0.00 175.22 176.14 2e9h s ASP 75 N 1.69 3.21 0.37 1.36 -1.08 -1.00 -4.95 116.67 116.26 2e9h s ASP 75 Ca 0.05 -3.44 0.10 0.00 -0.52 0.00 0.00 52.55 48.75 2e9h s ASP 75 Cb -0.13 -1.05 0.86 0.00 -1.46 0.00 0.00 42.92 41.14 2e9h s ASP 75 CO -0.08 -0.13 1.88 0.58 0.52 0.00 0.00 175.17 177.93 2e9h h VAL 76 N 4.54 0.83 -0.68 1.11 2.07 -1.93 0.95 116.25 123.14 2e9h h VAL 76 Ca 0.19 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.64 2e9h h VAL 76 Cb 0.83 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 2e9h h VAL 76 CO 0.55 0.12 -0.07 0.50 0.02 0.00 0.00 177.57 178.68 2e9h h LYS 77 N 0.64 0.06 -0.11 1.57 3.64 -1.96 -1.17 116.57 119.24 2e9h h LYS 77 Ca 0.43 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2e9h h LYS 77 Cb 0.74 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2e9h h LYS 77 CO -0.19 0.04 0.00 0.09 -2.27 0.00 0.00 179.45 177.12 2e9h n ASN 78 N -5.38 2.46 -2.81 4.20 3.02 -0.68 -4.97 115.26 111.09 2e9h n ASN 78 Ca 0.10 -1.70 -0.20 0.00 -0.03 0.00 0.00 54.58 52.75 2e9h n ASN 78 Cb 0.39 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.86 -5.20 -4.63 6.41 8.00 0.32 -4.95 116.55 117.36 2e9h n ASP 79 Ca 0.10 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.10 2e9h n ASP 79 Cb 0.40 -4.29 -0.10 0.00 -0.02 0.00 0.00 41.12 37.12 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -5.46 4.00 -0.27 -1.24 1.70 -0.87 -4.87 118.95 111.94 2e9h s ARG 80 Ca 0.19 -0.31 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 2e9h s ARG 80 Cb -0.09 -3.42 0.04 0.00 -0.57 0.00 0.00 34.95 30.91 2e9h s ARG 80 CO 0.23 0.10 -0.05 0.71 -1.08 0.00 0.00 175.30 175.20 2e9h s TYR 81 N 0.91 3.16 0.15 5.89 1.51 -1.26 -2.37 117.35 125.35 2e9h s TYR 81 Ca 0.06 -1.81 0.03 0.00 -1.01 0.00 0.00 57.07 54.35 2e9h s TYR 81 Cb -0.13 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2e9h s TYR 81 CO 0.03 -0.79 0.22 0.42 -1.11 0.00 0.00 175.55 174.32 2e9h s ILE 82 N 1.26 5.00 -0.31 2.71 1.01 -1.11 -1.89 121.20 127.87 2e9h s ILE 82 Ca -0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 2e9h s ILE 82 Cb -0.18 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.84 2e9h s ILE 82 CO -0.04 -0.08 0.12 -0.69 0.00 0.00 0.00 174.94 174.26 2e9h s VAL 83 N -1.72 0.58 -0.09 2.92 1.01 0.94 -1.72 120.40 122.31 2e9h s VAL 83 Ca 0.33 -1.26 -0.40 0.00 0.00 0.00 0.00 61.98 60.65 2e9h s VAL 83 Cb -0.11 -1.45 -0.18 0.00 0.00 0.00 0.00 36.38 34.64 2e9h s VAL 83 CO 0.26 -0.72 1.34 0.59 0.00 0.00 0.00 175.10 176.57 2e9h n ASN 84 N 4.88 1.05 0.00 3.32 3.02 -0.17 -1.89 115.26 125.48 2e9h n ASN 84 Ca -0.02 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2e9h n ASN 84 Cb 0.41 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 2.61 3.02 3.60 7.41 0.00 -1.23 -4.44 105.19 116.15 2e9h n GLY 85 Ca 0.22 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 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 6.13 -0.11 1.61 0.15 -1.26 -1.25 113.70 118.97 2e9h s SER 86 Ca 0.00 0.14 -0.07 0.00 0.70 0.00 0.00 55.95 56.71 2e9h s SER 86 Cb 0.00 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 2e9h s SER 86 CO 0.00 -0.10 0.28 -1.00 1.20 0.00 0.00 173.24 173.62 2e9h s HIS 87 N 1.82 -0.36 0.16 3.44 3.76 -1.26 -5.02 115.29 117.83 2e9h s HIS 87 Ca 0.11 0.84 -0.21 0.00 -0.15 0.00 0.00 55.06 55.64 2e9h s HIS 87 Cb -0.16 0.10 -0.08 0.00 1.11 0.00 0.00 32.58 33.55 2e9h s HIS 87 CO 0.10 -0.22 0.69 -1.83 -0.85 0.00 0.00 174.74 172.63 2e9h s GLU 88 N 0.87 4.32 0.25 1.40 -1.05 -1.26 -4.88 118.70 118.35 2e9h s GLU 88 Ca -0.06 0.90 -0.12 0.00 -0.15 0.00 0.00 54.97 55.54 2e9h s GLU 88 Cb -0.07 -3.11 0.35 0.00 -0.44 0.00 0.00 34.13 30.86 2e9h s GLU 88 CO -0.06 0.53 1.56 0.00 0.95 0.00 0.00 175.26 178.24 2e9h h ALA 89 N 4.03 0.43 -0.87 -0.84 0.00 -1.91 0.56 119.26 120.66 2e9h h ALA 89 Ca -0.48 0.33 0.23 0.00 0.00 0.00 0.00 54.91 54.99 2e9h h ALA 89 Cb 1.20 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 19.68 2e9h h ALA 89 CO 0.65 -0.48 0.24 -0.97 0.00 0.00 0.00 179.25 178.69 2e9h h ASN 90 N -0.01 0.02 0.22 0.00 -1.24 -1.93 0.18 115.58 112.82 2e9h h ASN 90 Ca 0.41 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.60 2e9h h ASN 90 Cb 0.65 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.96 2e9h h ASN 90 CO -0.96 -0.14 -0.10 0.50 -1.29 0.00 0.00 177.43 175.43 2e9h h LYS 91 N 0.22 -0.28 -0.67 6.67 3.64 -0.28 -2.06 116.57 123.82 2e9h h LYS 91 Ca 0.55 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 60.09 2e9h h LYS 91 Cb 1.10 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 2e9h h LYS 91 CO -0.64 0.04 0.02 -0.07 -2.27 0.00 0.00 179.45 176.52 2e9h h LEU 92 N -0.63 -0.27 -1.51 5.20 3.38 -0.36 0.48 115.31 121.60 2e9h h LEU 92 Ca -0.03 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2e9h h LEU 92 Cb 0.45 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2e9h h LEU 92 CO 0.05 -0.13 -0.25 -0.61 0.09 0.00 0.00 178.44 177.59 2e9h h GLN 93 N 0.13 0.00 -0.18 1.13 5.75 -1.02 0.96 115.11 121.89 2e9h h GLN 93 Ca 0.36 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.71 2e9h h GLN 93 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2e9h h GLN 93 CO -0.57 0.25 -0.45 -0.44 -2.65 0.00 0.00 178.83 174.98 2e9h h ASP 94 N 0.00 0.70 0.10 -0.69 5.19 0.60 -2.85 116.42 119.47 2e9h h ASP 94 Ca -0.00 -0.57 -0.00 0.00 -0.62 0.00 0.00 57.03 55.83 2e9h h ASP 94 Cb 0.49 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2e9h h ASP 94 CO 0.03 1.15 -0.05 0.24 -3.12 0.00 0.00 179.24 177.49 2e9h h MET 95 N 0.28 -0.13 -0.86 3.56 2.86 -0.66 -3.32 114.93 116.66 2e9h h MET 95 Ca -0.01 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.87 2e9h h MET 95 Cb 1.06 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 32.61 2e9h h MET 95 CO 0.10 0.34 0.17 1.25 1.06 0.00 0.00 176.91 179.83 2e9h h LEU 96 N -0.92 -0.11 -0.72 1.22 5.85 -0.94 -0.20 115.31 119.49 2e9h h LEU 96 Ca -0.01 0.20 0.18 0.00 0.84 0.00 0.00 57.88 59.08 2e9h h LEU 96 Cb 0.53 0.30 -0.14 0.00 0.37 0.00 0.00 40.66 41.73 2e9h h LEU 96 CO 0.02 -0.18 -0.07 0.47 -0.34 0.00 0.00 178.44 178.35 2e9h n ASP 97 N -5.27 -0.16 -0.20 1.25 8.00 -1.07 0.17 116.55 119.27 2e9h n ASP 97 Ca 0.20 1.23 0.01 0.00 0.71 0.00 0.00 54.79 56.93 2e9h n ASP 97 Cb 0.64 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.44 2e9h n ASP 97 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2e9h h GLY 98 N 0.00 0.85 1.29 0.44 0.00 -1.21 0.15 103.07 104.59 2e9h h GLY 98 Ca 0.40 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 2e9h h GLY 98 CO -0.70 -0.05 0.09 -2.75 0.00 0.00 0.00 176.54 173.13 2e9h h PHE 99 N 0.37 0.91 -0.04 5.60 3.04 0.16 -1.60 116.94 125.39 2e9h h PHE 99 Ca 0.32 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2e9h h PHE 99 Cb 0.42 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2e9h h PHE 99 CO -0.19 0.79 0.00 -0.89 -2.02 0.00 0.00 178.31 176.00 2e9h n ILE 100 N -4.24 0.04 0.59 1.41 5.41 -0.46 -1.25 119.36 120.86 2e9h n ILE 100 Ca 0.04 -0.11 0.06 0.00 1.00 0.00 0.00 62.75 63.74 2e9h n ILE 100 Cb 0.26 -0.09 -0.05 0.00 -0.71 0.00 0.00 39.64 39.05 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 -0.47 2.58 0.00 0.38 4.81 0.39 -2.18 118.16 123.67 2e9h n LYS 101 Ca 0.18 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2e9h n LYS 101 Cb 0.18 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2e9h n LYS 101 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2e9h n LYS 102 N -1.01 0.00 -0.06 1.64 2.85 -0.97 -4.53 118.16 116.08 2e9h n LYS 102 Ca 0.03 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.18 2e9h n LYS 102 Cb 0.22 -0.75 -0.10 0.00 -0.65 0.00 0.00 35.03 33.74 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 -0.01 0.00 5.58 -1.00 -1.42 -3.43 116.94 116.66 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 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2e9h h PHE 103 CO 0.00 0.76 0.00 0.28 -1.61 0.00 0.00 178.31 177.74 2e9h n VAL 104 N -4.67 0.00 -1.82 -0.55 0.31 -1.23 -4.84 118.33 105.53 2e9h n VAL 104 Ca -0.08 0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 64.22 2e9h n VAL 104 Cb 0.37 -0.97 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 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 -2.56 4.35 0.13 7.52 1.43 -0.93 -4.29 118.68 124.34 2e9h s LEU 105 Ca 0.00 2.88 -0.30 0.00 -1.03 0.00 0.00 54.13 55.68 2e9h s LEU 105 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2e9h s LEU 105 CO 0.00 -0.88 1.06 0.00 0.23 0.00 0.00 176.35 176.76 2e9h n PRO 107 N 2.77 0.49 0.00 0.00 -0.04 -1.26 0.20 135.00 137.16 2e9h n PRO 107 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2e9h n PRO 107 Cb 0.47 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.78 0.00 -0.00 0.54 -0.58 -1.26 -4.85 120.64 113.70 2e9h n GLU 108 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2e9h n GLU 108 Cb 0.03 -0.64 -0.01 0.00 -0.57 0.00 0.00 31.44 30.26 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -1.06 -7.00 -3.56 0.00 -0.58 0.55 -4.80 120.64 104.19 2e9h n GLU 110 Ca 0.00 0.79 -0.37 0.00 -0.42 0.00 0.00 57.16 57.16 2e9h n GLU 110 Cb 0.02 -5.77 -0.09 0.00 -0.57 0.00 0.00 31.44 25.03 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 -3.73 6.19 0.00 1.62 3.04 -1.26 -4.26 114.94 116.53 2e9h s ASN 111 Ca 0.37 0.20 0.15 0.00 0.04 0.00 0.00 52.86 53.62 2e9h s ASN 111 Cb -0.17 -2.15 0.75 0.00 -1.54 0.00 0.00 41.25 38.15 2e9h s ASN 111 CO 0.75 -0.01 1.41 -0.81 -3.04 0.00 0.00 177.10 175.39 2e9h n PRO 112 N 4.56 0.21 -1.40 0.43 -0.04 -1.26 -3.42 135.00 134.09 2e9h n PRO 112 Ca -0.13 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 2e9h n PRO 112 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.28 2.32 -3.68 0.54 1.02 -1.26 -4.90 120.64 113.40 2e9h n GLU 113 Ca 0.07 -2.34 -0.25 0.00 -0.02 0.00 0.00 57.16 54.62 2e9h n GLU 113 Cb 0.12 -2.05 0.01 0.00 -0.02 0.00 0.00 31.44 29.49 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 -2.66 1.77 0.09 2.62 -4.23 -1.23 -4.68 115.64 107.31 2e9h s THR 114 Ca 0.53 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2e9h s THR 114 Cb 0.37 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 2e9h s THR 114 CO -0.18 0.00 0.15 -0.62 -0.54 0.00 0.00 174.62 173.43 2e9h s ASP 115 N -4.37 0.19 0.18 3.99 -1.08 -1.23 -5.06 116.67 109.29 2e9h s ASP 115 Ca 0.41 -0.74 0.11 0.00 -0.52 0.00 0.00 52.55 51.80 2e9h s ASP 115 Cb -0.03 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.70 2e9h s ASP 115 CO 0.25 -0.71 -0.22 -0.76 0.52 0.00 0.00 175.17 174.25 2e9h s LEU 116 N -2.88 2.49 -0.12 -1.34 1.43 -1.26 -1.86 118.68 115.14 2e9h s LEU 116 Ca 0.06 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2e9h s LEU 116 Cb 0.05 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2e9h s LEU 116 CO -0.10 0.13 -0.12 -1.00 0.23 0.00 0.00 176.35 175.49 2e9h s HIS 117 N -1.59 1.82 0.06 0.29 3.76 0.68 -4.95 115.29 115.37 2e9h s HIS 117 Ca 0.20 -0.94 -0.10 0.00 -0.15 0.00 0.00 55.06 54.07 2e9h s HIS 117 Cb -0.08 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 2e9h s HIS 117 CO 0.10 -0.55 0.38 0.54 -0.85 0.00 0.00 174.74 174.36 2e9h s VAL 118 N 1.45 5.12 -0.22 -0.90 0.11 -1.26 -1.49 120.40 123.21 2e9h s VAL 118 Ca 0.02 0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 59.51 2e9h s VAL 118 Cb -0.13 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.15 2e9h s VAL 118 CO -0.07 0.35 0.06 0.21 -3.33 0.00 0.00 175.10 172.31 2e9h s ASN 119 N -1.64 3.15 0.55 3.54 3.84 -1.21 -4.99 114.94 118.17 2e9h s ASN 119 Ca 0.31 -1.00 0.34 0.00 0.21 0.00 0.00 52.86 52.71 2e9h s ASN 119 Cb -0.14 -0.61 1.40 0.00 -0.55 0.00 0.00 41.25 41.35 2e9h s ASN 119 CO 0.17 -0.34 1.99 1.55 -2.79 0.00 0.00 177.10 177.68 2e9h h PRO 120 N 8.24 0.00 0.00 0.43 0.13 -1.90 0.42 132.00 139.32 2e9h h PRO 120 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.37 0.00 -0.16 -0.22 -0.23 0.00 0.00 178.00 177.76 2e9h h LYS 121 N 0.00 0.00 0.00 0.86 3.11 -1.97 -3.37 116.57 115.20 2e9h h LYS 121 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2e9h h LYS 121 Cb 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2e9h h LYS 121 CO 0.00 0.00 -0.12 0.87 -2.81 0.00 0.00 179.45 177.39 2e9h h LYS 122 N -0.64 0.00 -4.30 1.90 1.79 -2.00 -3.46 116.57 109.87 2e9h h LYS 122 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 2e9h h LYS 122 Cb 0.16 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.89 2e9h h LYS 122 CO 0.00 0.12 -0.51 1.04 -1.08 0.00 0.00 179.45 179.02 2e9h n GLN 123 N -3.61 -5.26 -3.99 3.15 1.13 0.14 -5.01 117.38 103.92 2e9h n GLN 123 Ca -0.02 0.68 -0.09 0.00 -1.94 0.00 0.00 57.00 55.63 2e9h n GLN 123 Cb 0.25 -5.15 -0.11 0.00 0.11 0.00 0.00 30.24 25.34 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 -3.16 0.13 -0.16 5.09 -4.23 -1.22 -5.03 115.64 107.06 2e9h s THR 124 Ca 0.37 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 2e9h s THR 124 Cb -0.16 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 2e9h s THR 124 CO 0.46 -0.60 0.20 -0.63 -0.54 0.00 0.00 174.62 173.51 2e9h s ILE 125 N -2.00 5.37 -0.12 2.99 1.01 -1.26 -3.36 121.20 123.83 2e9h s ILE 125 Ca -0.11 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 2e9h s ILE 125 Cb -0.06 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.92 2e9h s ILE 125 CO -0.03 0.47 -0.06 -0.83 0.00 0.00 0.00 174.94 174.49 2e9h s GLY 126 N 0.00 0.80 0.24 6.18 0.00 -0.55 -0.30 107.32 113.69 2e9h s GLY 126 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 2e9h s GLY 126 CO 0.02 0.87 0.55 0.54 0.00 0.00 0.00 173.10 175.08 2e9h s ASN 127 N 1.73 6.60 -0.18 1.64 2.20 -0.96 -0.23 114.94 125.74 2e9h s ASN 127 Ca 0.04 0.90 -0.04 0.00 -0.94 0.00 0.00 52.86 52.83 2e9h s ASN 127 Cb -0.13 -2.22 0.06 0.00 -2.00 0.00 0.00 41.25 36.96 2e9h s ASN 127 CO -0.08 -0.09 0.05 -0.94 -2.94 0.00 0.00 177.10 173.10 2e9h s SER 128 N -2.47 2.68 0.19 3.54 1.04 -0.77 -2.89 113.70 115.01 2e9h s SER 128 Ca 0.47 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2e9h s SER 128 Cb -0.11 -0.47 -0.05 0.00 0.10 0.00 0.00 66.02 65.50 2e9h s SER 128 CO 0.22 -0.32 0.39 0.00 0.98 0.00 0.00 173.24 174.52 2e9h n LYS 130 N -0.45 0.27 -0.35 0.00 5.02 -1.26 -3.30 118.16 118.09 2e9h n LYS 130 Ca -0.04 0.07 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2e9h n LYS 130 Cb 0.53 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 34.31 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h h ALA 131 N -0.03 -0.31 0.00 7.82 0.00 -1.96 -3.10 119.26 121.68 2e9h h ALA 131 Ca -0.24 0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2e9h h ALA 131 Cb 1.36 1.17 -0.06 0.00 0.00 0.00 0.00 17.79 20.26 2e9h h ALA 131 CO -0.05 -0.84 -2.27 0.00 0.00 0.00 0.00 179.25 176.08 2e9h n GLY 133 N 2.09 0.52 3.60 0.00 0.00 -1.17 -5.10 105.19 105.13 2e9h n GLY 133 Ca -0.34 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.18 3.16 0.02 1.61 6.14 -1.21 -4.93 117.35 120.97 2e9h s TYR 134 Ca 0.00 -0.02 -0.01 0.00 0.64 0.00 0.00 57.07 57.68 2e9h s TYR 134 Cb 0.00 -1.97 -0.02 0.00 0.42 0.00 0.00 41.96 40.40 2e9h s TYR 134 CO 0.00 0.18 0.00 1.03 0.64 0.00 0.00 175.55 177.40 2e9h s ARG 135 N 0.05 0.35 0.00 4.97 0.52 -1.26 -0.46 118.95 123.11 2e9h s ARG 135 Ca 0.03 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2e9h s ARG 135 Cb -0.13 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.47 2e9h s ARG 135 CO 0.02 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.68 2e9h n GLY 136 N 1.56 -2.74 3.59 -3.53 0.00 -1.14 -5.03 105.19 97.89 2e9h n GLY 136 Ca -0.24 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.00 3.86 0.21 1.61 0.23 -1.26 -2.26 119.30 119.69 2e9h s MET 137 Ca 0.00 0.24 -0.31 0.00 -1.03 0.00 0.00 55.69 54.59 2e9h s MET 137 Cb 0.00 -3.74 -0.10 0.00 -1.53 0.00 0.00 34.83 29.46 2e9h s MET 137 CO 0.00 -0.59 1.53 -0.51 -2.03 0.00 0.00 175.02 173.43 2e9h s LEU 138 N 2.60 4.37 -1.09 0.18 1.43 0.59 -4.93 118.68 121.83 2e9h s LEU 138 Ca 0.24 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.89 2e9h s LEU 138 Cb -0.15 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.63 2e9h s LEU 138 CO 0.12 -0.80 1.27 -1.81 0.23 0.00 0.00 176.35 175.36 2e9h s ASP 139 N 0.78 6.93 0.08 2.29 1.01 -1.26 -4.65 116.67 121.85 2e9h s ASP 139 Ca 0.66 -2.71 0.08 0.00 0.71 0.00 0.00 52.55 51.28 2e9h s ASP 139 Cb -0.44 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.08 2e9h s ASP 139 CO 0.38 -0.80 -0.17 -0.89 0.21 0.00 0.00 175.17 173.89 2e9h s THR 140 N 1.64 2.87 0.69 -1.27 2.01 -1.26 -5.11 115.64 115.22 2e9h s THR 140 Ca 0.37 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 60.85 2e9h s THR 140 Cb -0.04 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 2e9h s THR 140 CO -0.04 0.20 0.56 0.00 -0.69 0.00 0.00 174.62 174.64 2e9h n HIS 141 N 1.10 -0.67 0.81 4.92 1.44 -1.26 -4.83 115.22 116.72 2e9h n HIS 141 Ca -0.16 0.37 0.01 0.00 -2.01 0.00 0.00 57.72 55.94 2e9h n HIS 141 Cb 0.52 -1.94 0.07 0.00 0.12 0.00 0.00 29.99 28.77 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2e9h n HIS 142 N -2.24 0.33 -0.10 -1.40 -0.00 -1.26 -3.41 115.22 107.15 2e9h n HIS 142 Ca 0.11 -0.12 -0.21 0.00 -0.00 0.00 0.00 57.72 57.49 2e9h n HIS 142 Cb 0.49 -0.15 -0.12 0.00 -0.00 0.00 0.00 29.99 30.22 2e9h n HIS 142 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2e9h h LYS 143 N 0.69 0.01 0.00 -0.41 6.56 -2.00 -3.37 116.57 118.05 2e9h h LYS 143 Ca 0.00 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.43 2e9h h LYS 143 Cb 0.67 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 2e9h h LYS 143 CO 0.07 1.01 -1.21 -0.11 -2.06 0.00 0.00 179.45 177.16 2e9h n LEU 144 N -4.40 1.89 -0.55 2.94 7.94 -1.25 -4.32 117.00 119.24 2e9h n LEU 144 Ca -0.31 0.45 0.44 0.00 -1.11 0.00 0.00 56.01 55.48 2e9h n LEU 144 Cb 0.69 -0.84 0.73 0.00 0.53 0.00 0.00 43.42 44.52 2e9h n LEU 144 CO 0.21 -0.06 1.32 0.00 -1.11 0.00 0.00 177.39 177.75 2e9h h THR 146 N 0.01 0.71 -0.11 0.00 1.03 -1.75 -2.73 112.91 110.06 2e9h h THR 146 Ca 0.90 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 67.34 2e9h h THR 146 Cb 3.13 0.71 -0.06 0.00 -1.07 0.00 0.00 68.15 70.86 2e9h h THR 146 CO -0.30 0.00 -0.34 0.15 -0.01 0.00 0.00 175.52 175.02 2e9h h PHE 147 N -0.32 -0.94 -0.64 0.00 3.57 -0.23 -2.39 116.94 115.99 2e9h h PHE 147 Ca -0.01 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2e9h h PHE 147 Cb 0.28 0.43 -0.11 0.00 2.79 0.00 0.00 35.95 39.34 2e9h h PHE 147 CO -0.11 -0.41 -0.44 0.82 -2.23 0.00 0.00 178.31 175.94 2e9h h ILE 148 N -0.42 0.07 -0.75 1.41 2.04 -1.43 0.17 117.51 118.60 2e9h h ILE 148 Ca 0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.12 2e9h h ILE 148 Cb 0.56 0.07 -0.12 0.00 -0.74 0.00 0.00 36.82 36.60 2e9h h ILE 148 CO -0.35 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 177.88 2e9h h LEU 149 N -0.19 -0.06 -0.80 1.44 3.38 -1.13 0.14 115.31 118.08 2e9h h LEU 149 Ca 0.19 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2e9h h LEU 149 Cb 0.56 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2e9h h LEU 149 CO -0.73 -0.08 0.38 0.11 0.09 0.00 0.00 178.44 178.21 2e9h h LYS 150 N 0.23 1.16 -3.70 1.13 1.79 -0.32 -3.39 116.57 113.48 2e9h h LYS 150 Ca 0.43 -0.17 -0.59 0.00 -2.18 0.00 0.00 60.65 58.13 2e9h h LYS 150 Cb 0.75 -0.21 -0.40 0.00 -1.58 0.00 0.00 32.23 30.79 2e9h h LYS 150 CO -0.55 0.90 -0.75 -0.80 -1.08 0.00 0.00 179.45 177.17 2e9h s ASN 151 N -6.24 4.11 0.81 0.86 0.01 0.44 -5.12 114.94 109.81 2e9h s ASN 151 Ca -0.13 -1.69 -0.11 0.00 -0.71 0.00 0.00 52.86 50.23 2e9h s ASN 151 Cb 0.16 -0.96 0.08 0.00 0.41 0.00 0.00 41.25 40.94 2e9h s ASN 151 CO 0.83 -0.41 1.09 -2.16 -1.51 0.00 0.00 177.10 174.94 2e9h s PRO 152 N 1.53 1.93 0.86 -0.60 0.04 -0.99 -4.46 135.00 133.30 2e9h s PRO 152 Ca 0.10 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2e9h s PRO 152 Cb -0.17 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.60 2e9h s PRO 152 CO -0.23 -1.84 1.09 -1.25 0.04 0.00 0.00 177.00 174.81 2e9h s PRO 153 N -4.91 1.58 -0.92 0.56 0.04 -1.26 -3.74 135.00 126.35 2e9h s PRO 153 Ca 0.62 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.59 2e9h s PRO 153 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2e9h s PRO 153 CO 0.56 -2.05 0.00 0.39 0.04 0.00 0.00 177.00 175.94 2e9h n GLU 154 N -3.77 -0.96 -5.08 4.56 -0.58 -1.26 -4.88 120.64 108.67 2e9h n GLU 154 Ca 0.08 0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.56 2e9h n GLU 154 Cb 0.55 -2.11 -0.15 0.00 -0.57 0.00 0.00 31.44 29.15 2e9h n GLU 154 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2e9h s ASN 155 N -3.82 3.12 -0.19 1.62 3.84 -1.25 -5.05 114.94 113.21 2e9h s ASN 155 Ca 0.00 -0.54 -0.22 0.00 0.21 0.00 0.00 52.86 52.31 2e9h s ASN 155 Cb -0.00 -0.31 -0.19 0.00 -0.55 0.00 0.00 41.25 40.20 2e9h s ASN 155 CO 0.59 0.28 0.29 -1.28 -2.79 0.00 0.00 177.10 174.19 2e9h h SER 156 N 5.09 0.00 0.00 -4.21 0.87 -1.91 -3.49 113.55 109.89 2e9h h SER 156 Ca -0.45 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2e9h h SER 156 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2e9h h SER 156 CO 0.45 1.34 0.00 -0.67 -0.53 0.00 0.00 176.83 177.42