#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 -0.56 -0.13 1.61 0.15 -1.26 -5.07 113.70 108.43 2e9h s SER 2 Ca 0.00 0.58 -0.21 0.00 0.70 0.00 0.00 55.95 57.02 2e9h s SER 2 Cb 0.00 0.47 -0.25 0.00 -1.71 0.00 0.00 66.02 64.52 2e9h s SER 2 CO 0.00 -0.54 0.55 -1.28 1.20 0.00 0.00 173.24 173.17 2e9h h SER 3 N 2.81 0.20 0.00 5.45 0.87 -2.13 -3.50 113.55 117.25 2e9h h SER 3 Ca -0.24 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.51 2e9h h SER 3 Cb 1.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2e9h h SER 3 CO 0.36 1.42 0.00 0.61 -0.53 0.00 0.00 176.83 178.69 2e9h n GLY 4 N 1.62 0.95 2.94 5.77 0.00 -1.26 -4.83 105.19 110.39 2e9h n GLY 4 Ca -0.22 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 2e9h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 5 N -4.00 2.67 -0.08 1.61 1.04 -1.26 -5.01 113.70 108.67 2e9h s SER 5 Ca 0.00 -0.54 -0.24 0.00 0.48 0.00 0.00 55.95 55.66 2e9h s SER 5 Cb 0.00 -1.01 -0.29 0.00 0.10 0.00 0.00 66.02 64.82 2e9h s SER 5 CO 0.00 -0.12 0.83 0.77 0.98 0.00 0.00 173.24 175.69 2e9h h SER 6 N 8.10 0.33 -4.04 7.02 4.64 -2.03 -3.50 113.55 124.06 2e9h h SER 6 Ca -0.30 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.06 2e9h h SER 6 Cb 1.12 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2e9h h SER 6 CO 0.45 1.30 -0.60 0.61 -0.87 0.00 0.00 176.83 177.71 2e9h n GLY 7 N 1.65 -4.70 3.59 -0.77 0.00 -1.26 -4.82 105.19 98.88 2e9h n GLY 7 Ca -0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2e9h n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2e9h s MET 8 N -1.21 3.20 0.09 1.61 -2.45 -1.26 -4.74 119.30 114.55 2e9h s MET 8 Ca 0.00 1.09 -0.36 0.00 -1.25 0.00 0.00 55.69 55.17 2e9h s MET 8 Cb 0.00 -4.21 -0.18 0.00 1.25 0.00 0.00 34.83 31.70 2e9h s MET 8 CO 0.00 -2.02 1.15 -1.13 1.05 0.00 0.00 175.02 174.07 2e9h n SER 9 N 10.59 0.83 -4.80 1.11 3.41 -1.26 -4.69 113.62 118.80 2e9h n SER 9 Ca 0.21 1.14 -0.22 0.00 -0.26 0.00 0.00 58.87 59.73 2e9h n SER 9 Cb 0.48 -1.09 0.09 0.00 -0.26 0.00 0.00 64.21 63.43 2e9h n SER 9 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2e9h s VAL 10 N 0.07 2.20 0.13 -3.33 -7.23 -0.82 -4.88 120.40 106.54 2e9h s VAL 10 Ca 0.83 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 2e9h s VAL 10 Cb -1.03 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 2e9h s VAL 10 CO 0.52 0.00 0.99 0.20 -0.31 0.00 0.00 175.10 176.50 2e9h s ASN 11 N -4.69 7.46 0.32 4.85 -0.87 -1.26 -2.92 114.94 117.83 2e9h s ASN 11 Ca 0.64 1.87 0.23 0.00 -1.57 0.00 0.00 52.86 54.03 2e9h s ASN 11 Cb -0.06 -2.59 1.08 0.00 -0.02 0.00 0.00 41.25 39.66 2e9h s ASN 11 CO 0.42 -0.08 1.14 0.52 -2.57 0.00 0.00 177.10 176.53 2e9h n VAL 12 N 2.60 -0.19 -5.06 1.60 0.31 -1.26 -4.07 118.33 112.26 2e9h n VAL 12 Ca 0.02 1.33 -0.31 0.00 -0.01 0.00 0.00 64.34 65.37 2e9h n VAL 12 Cb 0.48 -2.18 -0.15 0.00 -0.91 0.00 0.00 33.84 31.09 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 -4.38 3.15 -0.14 4.52 0.01 -1.26 -4.99 114.94 111.84 2e9h s ASN 13 Ca -0.05 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.57 2e9h s ASN 13 Cb 0.23 -0.32 0.22 0.00 0.41 0.00 0.00 41.25 41.78 2e9h s ASN 13 CO 0.59 0.28 1.28 0.54 -1.51 0.00 0.00 177.10 178.29 2e9h n ARG 14 N 2.03 1.45 -0.02 -0.60 5.12 -1.26 -3.56 116.66 119.83 2e9h n ARG 14 Ca -0.17 -0.98 -0.02 0.00 -1.93 0.00 0.00 57.85 54.76 2e9h n ARG 14 Cb 0.52 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 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 -0.02 3.98 -4.55 0.55 2.88 -1.26 -4.97 113.62 110.22 2e9h n SER 15 Ca 0.19 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.35 2e9h n SER 15 Cb 0.87 0.67 -0.11 0.00 -0.75 0.00 0.00 64.21 64.88 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 -2.12 5.05 -0.12 2.46 0.11 -1.23 -4.95 120.40 119.60 2e9h s VAL 16 Ca -0.02 0.04 0.17 0.00 -2.93 0.00 0.00 61.98 59.23 2e9h s VAL 16 Cb 0.01 -3.42 -0.14 0.00 -1.53 0.00 0.00 36.38 31.31 2e9h s VAL 16 CO 0.17 0.24 0.82 -0.24 -3.33 0.00 0.00 175.10 172.77 2e9h n SER 17 N 5.03 0.87 -4.15 3.54 2.88 -1.26 -4.78 113.62 115.75 2e9h n SER 17 Ca -0.14 0.38 -0.35 0.00 -1.33 0.00 0.00 58.87 57.43 2e9h n SER 17 Cb 0.52 0.14 0.08 0.00 -0.75 0.00 0.00 64.21 64.20 2e9h n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e9h n ASP 18 N -2.90 -3.74 -1.34 -3.46 8.00 -1.26 -4.91 116.55 106.94 2e9h n ASP 18 Ca -0.10 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 2e9h n ASP 18 Cb 0.84 -0.84 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 2e9h n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h n GLN 19 N 0.67 2.42 -0.00 -1.24 10.64 -1.26 -4.56 117.38 124.04 2e9h n GLN 19 Ca 0.01 -3.58 0.08 0.00 -1.83 0.00 0.00 57.00 51.67 2e9h n GLN 19 Cb 0.61 -1.94 -0.10 0.00 -0.86 0.00 0.00 30.24 27.95 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 -0.97 0.00 -1.59 2.61 3.72 -1.26 -4.94 117.46 115.03 2e9h n PHE 20 Ca 0.34 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.30 2e9h n PHE 20 Cb 0.87 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.62 1.95 0.22 1.38 4.19 -1.26 -4.88 117.16 117.14 2e9h n TYR 21 Ca 0.01 -0.11 -0.11 0.00 3.31 0.00 0.00 57.90 61.00 2e9h n TYR 21 Cb 0.31 -2.72 -0.05 0.00 0.49 0.00 0.00 39.34 37.37 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 14.90 -0.62 -6.91 2.98 2.43 -2.00 -3.42 114.38 121.74 2e9h h ARG 22 Ca -0.40 0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.28 2e9h h ARG 22 Cb 1.25 0.14 0.09 0.00 -0.42 0.00 0.00 29.97 31.02 2e9h h ARG 22 CO 0.96 -0.41 0.71 0.71 -1.51 0.00 0.00 179.97 180.43 2e9h s TYR 23 N -4.56 2.81 0.30 2.20 2.02 -1.26 -5.02 117.35 113.84 2e9h s TYR 23 Ca -0.10 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 57.93 2e9h s TYR 23 Cb 0.02 -3.86 -0.03 0.00 -0.40 0.00 0.00 41.96 37.69 2e9h s TYR 23 CO 0.32 -2.44 0.25 0.15 -1.57 0.00 0.00 175.55 172.27 2e9h s LYS 24 N -1.93 1.62 -0.15 -0.62 -0.14 -1.26 -4.14 119.74 113.11 2e9h s LYS 24 Ca 0.51 -1.90 -0.19 0.00 -1.36 0.00 0.00 55.97 53.04 2e9h s LYS 24 Cb -0.43 0.32 0.05 0.00 -1.68 0.00 0.00 37.83 36.09 2e9h s LYS 24 CO 0.58 -0.59 0.50 0.00 -0.76 0.00 0.00 175.35 175.08 2e9h s MET 25 N -3.61 0.66 0.28 1.68 0.23 -1.15 -4.85 119.30 112.54 2e9h s MET 25 Ca 0.40 0.52 -0.29 0.00 -1.03 0.00 0.00 55.69 55.28 2e9h s MET 25 Cb 0.03 0.32 -0.10 0.00 -1.53 0.00 0.00 34.83 33.55 2e9h s MET 25 CO 0.23 -0.12 1.25 -1.25 -2.03 0.00 0.00 175.02 173.11 2e9h s PRO 26 N -0.14 4.44 -0.24 3.16 0.04 -1.26 -1.94 135.00 139.05 2e9h s PRO 26 Ca -0.03 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2e9h s PRO 26 Cb -0.03 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2e9h s PRO 26 CO 0.02 -0.10 1.68 1.03 0.04 0.00 0.00 177.00 179.67 2e9h s ARG 27 N -1.18 3.67 0.48 4.56 0.52 -1.26 -4.75 118.95 120.99 2e9h s ARG 27 Ca 0.50 1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 57.12 2e9h s ARG 27 Cb -0.37 -4.09 -0.10 0.00 0.52 0.00 0.00 34.95 30.92 2e9h s ARG 27 CO 0.45 -1.45 0.84 1.47 0.02 0.00 0.00 175.30 176.64 2e9h n LEU 28 N 8.95 2.04 -4.52 2.53 -0.00 -1.26 -4.99 117.00 119.75 2e9h n LEU 28 Ca 0.20 0.92 -0.33 0.00 -0.00 0.00 0.00 56.01 56.80 2e9h n LEU 28 Cb 0.45 -1.29 -0.12 0.00 -0.00 0.00 0.00 43.42 42.47 2e9h n LEU 28 CO 0.66 -2.05 -0.42 -0.63 -0.00 0.00 0.00 177.39 174.95 2e9h s ILE 29 N -1.42 3.38 -0.09 1.47 1.01 -1.26 -4.91 121.20 119.37 2e9h s ILE 29 Ca 0.66 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2e9h s ILE 29 Cb -0.52 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2e9h s ILE 29 CO 0.55 0.59 -0.18 0.00 0.00 0.00 0.00 174.94 175.90 2e9h s ALA 30 N -0.68 2.44 -0.10 9.38 0.00 -1.26 -2.22 121.76 129.32 2e9h s ALA 30 Ca 0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2e9h s ALA 30 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2e9h s ALA 30 CO 0.01 0.35 -0.03 0.21 0.00 0.00 0.00 175.76 176.30 2e9h s LYS 31 N 0.04 3.08 -0.00 0.00 2.47 0.19 -4.75 119.74 120.76 2e9h s LYS 31 Ca -0.07 -0.49 0.02 0.00 -1.56 0.00 0.00 55.97 53.87 2e9h s LYS 31 Cb -0.15 -2.75 -0.01 0.00 -1.46 0.00 0.00 37.83 33.46 2e9h s LYS 31 CO 0.05 0.57 -0.06 0.08 0.16 0.00 0.00 175.35 176.16 2e9h s VAL 32 N -0.54 0.43 -0.02 4.02 1.01 -1.26 -0.61 120.40 123.44 2e9h s VAL 32 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2e9h s VAL 32 Cb -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2e9h s VAL 32 CO 0.02 0.09 -0.14 -1.61 0.00 0.00 0.00 175.10 173.46 2e9h s GLU 33 N -0.22 1.20 0.72 2.72 2.02 -1.26 -5.00 118.70 118.89 2e9h s GLU 33 Ca 0.01 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2e9h s GLU 33 Cb -0.03 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.07 2e9h s GLU 33 CO -0.00 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.95 2e9h n GLY 34 N 2.89 -1.09 2.61 -1.39 0.00 -1.26 -3.64 105.19 103.31 2e9h n GLY 34 Ca -0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.15 0.14 0.00 1.61 1.02 -1.26 -4.59 119.74 115.51 2e9h s LYS 35 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.77 2e9h s LYS 35 Cb 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2e9h s LYS 35 CO 0.00 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 2e9h n GLY 36 N 5.28 2.22 1.64 -3.33 0.00 -1.26 -4.78 105.19 104.96 2e9h n GLY 36 Ca -0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2e9h n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e9h n ASN 37 N 1.15 5.16 0.00 1.61 2.85 -1.26 -4.45 115.26 120.31 2e9h n ASN 37 Ca 0.00 -2.74 0.00 0.00 -0.11 0.00 0.00 54.58 51.73 2e9h n ASN 37 Cb 0.00 -0.93 0.00 0.00 1.24 0.00 0.00 39.78 40.09 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2e9h n GLY 38 N 0.49 1.86 3.67 8.20 0.00 -1.26 -4.99 105.19 113.16 2e9h n GLY 38 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 3.99 0.00 -0.61 2.07 -1.24 -4.80 121.20 118.61 2e9h s ILE 39 Ca 0.00 1.26 0.01 0.00 -1.41 0.00 0.00 60.65 60.51 2e9h s ILE 39 Cb 0.00 -3.81 -0.00 0.00 0.13 0.00 0.00 42.46 38.77 2e9h s ILE 39 CO 0.00 -0.07 -0.02 -1.59 -1.91 0.00 0.00 174.94 171.34 2e9h s LYS 40 N 3.20 0.20 -0.29 3.50 -2.85 -1.26 -3.57 119.74 118.67 2e9h s LYS 40 Ca 0.61 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 2e9h s LYS 40 Cb -0.27 -0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.33 2e9h s LYS 40 CO 0.22 0.04 0.56 0.99 0.10 0.00 0.00 175.35 177.26 2e9h s THR 41 N -0.22 5.01 -0.31 3.79 2.01 -0.15 -4.08 115.64 121.68 2e9h s THR 41 Ca -0.01 0.81 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 2e9h s THR 41 Cb -0.02 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2e9h s THR 41 CO -0.00 -0.04 0.06 -0.69 -0.69 0.00 0.00 174.62 173.26 2e9h s VAL 42 N 2.44 3.49 -1.17 3.82 1.01 0.22 -0.13 120.40 130.08 2e9h s VAL 42 Ca 0.22 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 2e9h s VAL 42 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2e9h s VAL 42 CO 0.11 -0.10 1.92 -0.38 0.00 0.00 0.00 175.10 176.65 2e9h n ILE 43 N 4.75 2.65 -0.06 2.22 5.41 -1.19 -0.64 119.36 132.51 2e9h n ILE 43 Ca -0.13 -2.62 -0.13 0.00 1.00 0.00 0.00 62.75 60.87 2e9h n ILE 43 Cb 0.45 -2.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.00 2e9h n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2e9h h VAL 44 N 5.36 0.07 0.00 1.39 2.07 -1.72 -0.81 116.25 122.61 2e9h h VAL 44 Ca 0.37 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.79 2e9h h VAL 44 Cb 0.82 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2e9h h VAL 44 CO 1.53 0.00 -0.20 -3.20 0.02 0.00 0.00 177.57 175.72 2e9h n ASN 45 N -5.42 4.97 -0.06 0.57 5.15 -1.24 -4.27 115.26 114.95 2e9h n ASN 45 Ca -0.04 -2.38 -0.09 0.00 -0.60 0.00 0.00 54.58 51.47 2e9h n ASN 45 Cb 0.36 -1.22 -0.08 0.00 -0.53 0.00 0.00 39.78 38.31 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 2.35 0.00 -0.50 1.20 1.85 -1.44 -3.22 114.93 115.17 2e9h h MET 46 Ca 0.10 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 2e9h h MET 46 Cb 1.23 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 2e9h h MET 46 CO 0.14 0.61 0.06 0.28 -0.40 0.00 0.00 176.91 177.61 2e9h h VAL 47 N -1.00 1.23 0.15 -5.77 2.07 -1.82 -2.55 116.25 108.56 2e9h h VAL 47 Ca -0.02 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2e9h h VAL 47 Cb 0.65 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2e9h h VAL 47 CO -0.01 0.32 -0.14 -0.78 0.02 0.00 0.00 177.57 176.98 2e9h h ASP 48 N 0.75 -0.38 -0.81 0.57 3.58 -1.86 -0.14 116.42 118.13 2e9h h ASP 48 Ca 0.16 0.03 0.17 0.00 0.42 0.00 0.00 57.03 57.81 2e9h h ASP 48 Cb 0.37 0.12 -0.11 0.00 1.72 0.00 0.00 39.33 41.43 2e9h h ASP 48 CO 0.01 -0.19 0.31 -0.37 -2.88 0.00 0.00 179.24 176.12 2e9h h VAL 49 N -0.29 0.57 -0.08 2.25 -1.51 -1.59 -1.30 116.25 114.30 2e9h h VAL 49 Ca -0.02 -0.14 0.04 0.00 -1.23 0.00 0.00 66.70 65.35 2e9h h VAL 49 Cb 0.25 0.13 -0.04 0.00 -2.13 0.00 0.00 31.29 29.49 2e9h h VAL 49 CO -0.01 0.07 -0.17 0.00 -1.23 0.00 0.00 177.57 176.24 2e9h h ALA 50 N 1.62 -0.14 -0.46 5.19 0.00 -1.23 -2.49 119.26 121.75 2e9h h ALA 50 Ca 0.47 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.50 2e9h h ALA 50 Cb 0.78 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2e9h h ALA 50 CO -0.47 -0.64 -0.22 0.87 0.00 0.00 0.00 179.25 178.79 2e9h h LYS 51 N -0.24 -0.12 -0.91 0.00 1.57 0.16 0.15 116.57 117.18 2e9h h LYS 51 Ca 0.08 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.05 2e9h h LYS 51 Cb 0.35 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2e9h h LYS 51 CO -0.22 -0.08 0.59 0.00 -0.57 0.00 0.00 179.45 179.18 2e9h h ALA 52 N 1.16 2.00 -0.21 3.86 0.00 -1.15 0.61 119.26 125.53 2e9h h ALA 52 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2e9h h ALA 52 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2e9h h ALA 52 CO -0.54 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 179.70 2e9h n LEU 53 N -4.57 2.16 -2.70 0.00 4.77 0.48 -4.86 117.00 112.28 2e9h n LEU 53 Ca 0.19 -1.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.00 2e9h n LEU 53 Cb 0.61 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2e9h n LEU 53 CO 0.29 0.36 -0.05 -0.46 -1.33 0.00 0.00 177.39 176.19 2e9h n ASN 54 N 0.21 -2.02 -4.07 -1.43 0.23 0.21 -4.89 115.26 103.50 2e9h n ASN 54 Ca 0.09 0.23 -0.12 0.00 -0.53 0.00 0.00 54.58 54.24 2e9h n ASN 54 Cb 0.45 -1.80 -0.11 0.00 -2.08 0.00 0.00 39.78 36.24 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2e9h s ARG 55 N -5.25 0.56 0.38 -3.83 0.52 -0.91 -5.02 118.95 105.40 2e9h s ARG 55 Ca 0.09 -0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 54.20 2e9h s ARG 55 Cb -0.05 -0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.09 2e9h s ARG 55 CO 0.11 0.03 1.19 -1.25 0.02 0.00 0.00 175.30 175.41 2e9h s PRO 56 N -1.93 4.12 0.00 3.54 0.04 -1.26 -3.76 135.00 135.75 2e9h s PRO 56 Ca -0.07 1.91 0.15 0.00 0.04 0.00 0.00 61.00 63.03 2e9h s PRO 56 Cb -0.07 -2.77 0.76 0.00 0.04 0.00 0.00 34.50 32.46 2e9h s PRO 56 CO -0.01 -0.28 1.40 -0.35 0.04 0.00 0.00 177.00 177.80 2e9h n PRO 57 N 0.24 0.23 0.25 0.56 -0.04 -1.26 -2.51 135.00 132.48 2e9h n PRO 57 Ca 0.03 0.13 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 2e9h n PRO 57 Cb 0.45 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.00 0.37 0.52 1.35 -1.96 -2.05 112.91 111.14 2e9h h THR 58 Ca 0.00 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 2e9h h THR 58 Cb 0.13 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2e9h h THR 58 CO 0.00 0.00 -0.18 1.88 -0.25 0.00 0.00 175.52 176.98 2e9h h TYR 59 N 0.00 -0.46 0.08 4.73 0.05 -1.89 -3.21 116.97 116.28 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2e9h h TYR 59 Cb 0.73 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2e9h h TYR 59 CO 0.00 -0.18 -0.04 -1.00 -1.05 0.00 0.00 178.16 175.89 2e9h h PRO 60 N -1.05 -0.11 -1.00 4.88 0.13 -1.77 -3.15 132.00 129.94 2e9h h PRO 60 Ca -0.05 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.24 2e9h h PRO 60 Cb 0.48 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.48 2e9h h PRO 60 CO 0.08 0.34 -0.38 1.15 -0.23 0.00 0.00 178.00 178.96 2e9h h THR 61 N -0.60 0.00 -0.23 1.56 2.02 -1.54 0.37 112.91 114.49 2e9h h THR 61 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2e9h h THR 61 Cb 0.50 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2e9h h THR 61 CO 0.02 0.00 0.02 0.50 0.37 0.00 0.00 175.52 176.43 2e9h h LYS 62 N -0.00 0.09 -0.42 6.66 1.63 -1.63 -2.53 116.57 120.37 2e9h h LYS 62 Ca 0.35 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.21 2e9h h LYS 62 Cb 0.61 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.16 2e9h h LYS 62 CO -0.99 0.06 0.10 -0.92 -3.45 0.00 0.00 179.45 174.24 2e9h h TYR 63 N 0.10 0.16 -0.26 1.91 5.03 -0.36 -1.35 116.97 122.20 2e9h h TYR 63 Ca 0.11 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.47 2e9h h TYR 63 Cb 0.13 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.35 2e9h h TYR 63 CO -0.18 0.02 -0.32 0.74 -1.32 0.00 0.00 178.16 177.11 2e9h h PHE 64 N 0.23 -0.98 -0.62 -3.82 0.04 -0.37 -0.65 116.94 110.77 2e9h h PHE 64 Ca 0.20 0.05 0.06 0.00 2.80 0.00 0.00 57.97 61.08 2e9h h PHE 64 Cb 0.24 0.46 -0.06 0.00 2.20 0.00 0.00 35.95 38.80 2e9h h PHE 64 CO -0.20 -0.27 0.32 0.78 -0.60 0.00 0.00 178.31 178.34 2e9h h GLY 65 N -0.21 0.90 -0.15 -1.45 0.00 -1.37 -2.41 103.07 98.37 2e9h h GLY 65 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.19 2e9h h GLY 65 CO -0.35 0.11 -0.54 0.00 0.00 0.00 0.00 176.54 175.76 2e9h h GLU 67 N -0.56 0.17 0.00 0.00 5.08 -0.95 0.11 114.58 118.43 2e9h h GLU 67 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2e9h h GLU 67 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2e9h h GLU 67 CO -0.45 0.11 0.00 -0.07 -1.00 0.00 0.00 179.01 177.60 2e9h h LEU 68 N 0.18 0.00 2.10 1.33 3.38 -0.81 -3.47 115.31 118.01 2e9h h LEU 68 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.88 2e9h h LEU 68 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2e9h h LEU 68 CO -0.35 0.00 -0.43 0.61 0.09 0.00 0.00 178.44 178.37 2e9h n GLY 69 N 0.20 -0.30 3.85 0.83 0.00 0.66 -5.00 105.19 105.42 2e9h n GLY 69 Ca 0.01 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.85 4.22 0.59 4.61 0.00 -0.95 -5.02 121.76 122.37 2e9h s ALA 70 Ca 0.03 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 2e9h s ALA 70 Cb -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2e9h s ALA 70 CO 0.04 -0.32 1.03 -1.14 0.00 0.00 0.00 175.76 175.37 2e9h s GLN 71 N -4.15 3.46 0.03 0.00 0.74 -1.26 -4.67 119.66 113.81 2e9h s GLN 71 Ca 0.32 1.04 -0.01 0.00 0.05 0.00 0.00 55.36 56.77 2e9h s GLN 71 Cb -0.01 -2.06 -0.03 0.00 1.10 0.00 0.00 33.01 32.02 2e9h s GLN 71 CO 0.19 -0.68 -0.03 0.95 -0.55 0.00 0.00 175.29 175.17 2e9h s THR 72 N -2.68 0.16 -0.09 -0.34 -4.23 -1.26 -0.33 115.64 106.87 2e9h s THR 72 Ca 0.60 -1.30 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2e9h s THR 72 Cb -0.13 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2e9h s THR 72 CO 0.40 -0.72 -0.19 -1.58 -0.54 0.00 0.00 174.62 171.99 2e9h s GLN 73 N -2.55 2.52 -0.26 3.99 0.74 -0.86 -4.99 119.66 118.25 2e9h s GLN 73 Ca -0.06 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.67 2e9h s GLN 73 Cb -0.02 -1.95 0.05 0.00 1.10 0.00 0.00 33.01 32.19 2e9h s GLN 73 CO -0.05 0.13 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.65 2e9h s PHE 74 N 0.45 3.20 -0.53 1.67 0.40 -1.26 -2.44 117.98 119.47 2e9h s PHE 74 Ca -0.17 -2.15 0.05 0.00 -0.60 0.00 0.00 56.93 54.06 2e9h s PHE 74 Cb -0.17 -1.96 0.18 0.00 0.51 0.00 0.00 43.02 41.59 2e9h s PHE 74 CO 0.07 -0.85 0.44 -0.25 0.70 0.00 0.00 175.22 175.32 2e9h n ASP 75 N 4.49 1.06 -0.15 1.36 9.92 -1.09 -4.95 116.55 127.19 2e9h n ASP 75 Ca -0.15 -2.76 0.13 0.00 -0.53 0.00 0.00 54.79 51.48 2e9h n ASP 75 Cb 0.43 -0.64 0.48 0.00 -0.64 0.00 0.00 41.12 40.75 2e9h n ASP 75 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2e9h h VAL 76 N 4.18 0.85 -0.90 2.53 2.07 -1.95 -1.63 116.25 121.40 2e9h h VAL 76 Ca 0.20 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 67.74 2e9h h VAL 76 Cb 0.84 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.77 2e9h h VAL 76 CO 0.53 0.09 -0.25 0.11 0.02 0.00 0.00 177.57 178.07 2e9h h LYS 77 N 0.48 -0.01 -0.30 1.57 1.79 -1.95 0.25 116.57 118.39 2e9h h LYS 77 Ca 0.34 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 2e9h h LYS 77 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2e9h h LYS 77 CO -0.11 -0.01 0.01 0.09 -1.08 0.00 0.00 179.45 178.35 2e9h n ASN 78 N -5.56 3.70 -4.34 0.86 3.02 -0.89 -4.97 115.26 107.08 2e9h n ASN 78 Ca 0.13 -3.15 -0.32 0.00 -0.03 0.00 0.00 54.58 51.21 2e9h n ASN 78 Cb 0.45 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 2e9h n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2e9h n ASP 79 N -0.60 0.73 -4.20 6.41 5.75 0.86 -4.92 116.55 120.58 2e9h n ASP 79 Ca 0.24 -1.28 -0.33 0.00 -0.01 0.00 0.00 54.79 53.42 2e9h n ASP 79 Cb 0.94 -1.59 -0.16 0.00 -1.03 0.00 0.00 41.12 39.28 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e9h s ARG 80 N -7.38 3.07 -0.10 0.11 1.70 -0.91 -4.83 118.95 110.62 2e9h s ARG 80 Ca 0.07 -0.83 0.04 0.00 -0.47 0.00 0.00 55.73 54.54 2e9h s ARG 80 Cb -0.04 -2.47 -0.00 0.00 -0.57 0.00 0.00 34.95 31.87 2e9h s ARG 80 CO 1.00 0.02 -0.24 0.71 -1.08 0.00 0.00 175.30 175.71 2e9h s TYR 81 N 0.75 2.55 0.16 5.89 1.51 -1.26 -2.68 117.35 124.27 2e9h s TYR 81 Ca -0.08 -1.00 0.11 0.00 -1.01 0.00 0.00 57.07 55.09 2e9h s TYR 81 Cb -0.16 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2e9h s TYR 81 CO -0.00 -0.39 -0.24 0.42 -1.11 0.00 0.00 175.55 174.23 2e9h s ILE 82 N 0.27 2.40 -0.20 2.71 1.01 -1.02 -3.16 121.20 123.21 2e9h s ILE 82 Ca -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 60.65 58.56 2e9h s ILE 82 Cb -0.17 -2.12 0.07 0.00 0.01 0.00 0.00 42.46 40.25 2e9h s ILE 82 CO 0.08 -0.03 0.09 -0.69 0.00 0.00 0.00 174.94 174.40 2e9h s VAL 83 N -1.42 -0.01 0.76 2.92 1.01 0.81 -2.04 120.40 122.43 2e9h s VAL 83 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 2e9h s VAL 83 Cb -0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2e9h s VAL 83 CO 0.09 -0.39 0.49 0.59 0.00 0.00 0.00 175.10 175.88 2e9h n ASN 84 N 5.24 -1.41 0.00 3.32 3.02 0.55 -0.98 115.26 125.00 2e9h n ASN 84 Ca -0.07 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 2e9h n ASN 84 Cb 0.47 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 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 1.66 -0.49 3.68 7.41 0.00 -1.23 -4.64 105.19 111.58 2e9h n GLY 85 Ca 0.09 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2e9h n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 86 N -0.93 6.90 -0.12 1.61 1.04 -1.26 -2.59 113.70 118.35 2e9h s SER 86 Ca 0.00 1.94 -0.10 0.00 0.48 0.00 0.00 55.95 58.27 2e9h s SER 86 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 2e9h s SER 86 CO 0.00 -0.73 0.32 -1.00 0.98 0.00 0.00 173.24 172.81 2e9h s HIS 87 N 2.89 -0.37 0.12 5.02 3.76 -1.26 -4.98 115.29 120.47 2e9h s HIS 87 Ca 0.61 0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 56.39 2e9h s HIS 87 Cb -0.27 0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 2e9h s HIS 87 CO 0.22 -0.19 0.32 -1.83 -0.85 0.00 0.00 174.74 172.41 2e9h s GLU 88 N 0.42 3.54 0.30 1.40 -1.05 -1.26 -4.78 118.70 117.27 2e9h s GLU 88 Ca -0.02 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 2e9h s GLU 88 Cb -0.04 -2.91 0.70 0.00 -0.44 0.00 0.00 34.13 31.44 2e9h s GLU 88 CO -0.02 0.51 1.59 0.00 0.95 0.00 0.00 175.26 178.29 2e9h h ALA 89 N 2.80 1.12 -0.63 -0.84 0.00 -1.91 0.58 119.26 120.37 2e9h h ALA 89 Ca -0.46 0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2e9h h ALA 89 Cb 1.17 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 2e9h h ALA 89 CO 0.73 -0.54 0.26 -0.97 0.00 0.00 0.00 179.25 178.74 2e9h h ASN 90 N 0.05 0.30 -0.28 0.00 -1.24 -1.94 0.14 115.58 112.60 2e9h h ASN 90 Ca 0.56 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.63 2e9h h ASN 90 Cb 1.13 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 2e9h h ASN 90 CO -0.85 0.18 0.14 0.50 -1.29 0.00 0.00 177.43 176.10 2e9h h LYS 91 N 0.47 0.40 0.44 6.67 1.63 -0.26 -1.95 116.57 123.98 2e9h h LYS 91 Ca 0.31 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 2e9h h LYS 91 Cb 0.36 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2e9h h LYS 91 CO -0.29 0.38 -0.21 -0.07 -3.45 0.00 0.00 179.45 175.81 2e9h h LEU 92 N 0.32 -0.50 -0.63 5.20 3.38 -0.57 -2.42 115.31 120.08 2e9h h LEU 92 Ca 0.10 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.19 2e9h h LEU 92 Cb 0.11 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2e9h h LEU 92 CO -0.01 -0.33 0.04 -0.61 0.09 0.00 0.00 178.44 177.62 2e9h h GLN 93 N -0.64 0.15 -0.27 1.13 -0.00 -0.72 0.23 115.11 114.99 2e9h h GLN 93 Ca -0.06 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.64 2e9h h GLN 93 Cb 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.87 2e9h h GLN 93 CO 0.10 0.10 -0.08 0.22 0.00 0.00 0.00 178.83 179.17 2e9h h ASP 94 N 0.15 -0.27 0.59 -0.69 1.82 -1.19 0.11 116.42 116.94 2e9h h ASP 94 Ca 0.33 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 57.03 2e9h h ASP 94 Cb 0.54 0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.74 2e9h h ASP 94 CO -0.51 -0.10 -0.28 0.24 -1.61 0.00 0.00 179.24 176.98 2e9h h MET 95 N -0.01 -0.77 -1.02 0.28 2.86 -0.70 -3.01 114.93 112.57 2e9h h MET 95 Ca 0.13 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 58.07 2e9h h MET 95 Cb 0.21 0.17 -0.11 0.00 0.06 0.00 0.00 31.60 31.94 2e9h h MET 95 CO -0.29 -0.45 0.63 1.25 1.06 0.00 0.00 176.91 179.11 2e9h h LEU 96 N -0.99 0.59 -0.78 1.22 5.85 -0.45 -1.63 115.31 119.11 2e9h h LEU 96 Ca -0.08 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2e9h h LEU 96 Cb 0.66 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 2e9h h LEU 96 CO 0.13 0.11 -0.22 -0.67 -0.34 0.00 0.00 178.44 177.46 2e9h n ASP 97 N -4.77 -0.33 -0.14 1.25 2.03 0.38 0.11 116.55 115.08 2e9h n ASP 97 Ca 0.26 1.35 -0.03 0.00 0.52 0.00 0.00 54.79 56.89 2e9h n ASP 97 Cb 0.78 -0.39 0.05 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.51 1.18 0.27 0.00 -1.44 -0.03 103.07 103.56 2e9h h GLY 98 Ca 0.35 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.72 2e9h h GLY 98 CO -0.80 -0.10 0.54 -2.75 0.00 0.00 0.00 176.54 173.44 2e9h h PHE 99 N 0.16 1.03 -0.11 5.60 3.04 0.60 0.17 116.94 127.42 2e9h h PHE 99 Ca 0.23 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2e9h h PHE 99 Cb 0.33 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2e9h h PHE 99 CO -0.26 0.64 0.00 -0.89 -2.02 0.00 0.00 178.31 175.78 2e9h n ILE 100 N -4.41 0.15 0.28 1.41 5.41 -0.48 -1.49 119.36 120.23 2e9h n ILE 100 Ca 0.09 -0.19 0.05 0.00 1.00 0.00 0.00 62.75 63.70 2e9h n ILE 100 Cb 0.03 0.06 -0.07 0.00 -0.71 0.00 0.00 39.64 38.96 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 -0.16 2.36 0.03 0.38 0.00 -0.01 -3.34 118.16 117.42 2e9h n LYS 101 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.39 2e9h n LYS 101 Cb 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.13 2e9h n LYS 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2e9h n LYS 102 N -1.48 0.00 0.25 1.64 5.02 -0.85 -4.49 118.16 118.24 2e9h n LYS 102 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2e9h n LYS 102 Cb 0.20 -0.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.69 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2e9h h PHE 103 N 0.00 -0.60 0.57 2.13 -1.00 -1.49 -3.37 116.94 113.18 2e9h h PHE 103 Ca 0.00 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2e9h h PHE 103 Cb 0.43 0.20 0.01 0.00 3.61 0.00 0.00 35.95 40.19 2e9h h PHE 103 CO 0.00 -0.38 -0.27 0.28 -1.61 0.00 0.00 178.31 176.33 2e9h h VAL 104 N -0.75 0.00 -4.14 -0.55 2.07 -1.77 -3.45 116.25 107.66 2e9h h VAL 104 Ca -0.07 -0.21 -0.49 0.00 0.82 0.00 0.00 66.70 66.76 2e9h h VAL 104 Cb 0.50 0.00 0.14 0.00 -1.52 0.00 0.00 31.29 30.41 2e9h h VAL 104 CO 0.11 0.00 0.27 -0.76 0.02 0.00 0.00 177.57 177.21 2e9h s LEU 105 N -8.30 2.41 -0.15 2.57 1.43 -1.21 -3.97 118.68 111.45 2e9h s LEU 105 Ca -0.11 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 54.42 2e9h s LEU 105 Cb 0.01 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2e9h s LEU 105 CO 0.34 -2.46 0.09 0.00 0.23 0.00 0.00 176.35 174.55 2e9h n PRO 107 N 2.88 0.49 0.00 0.00 -0.04 -1.26 0.13 135.00 137.19 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 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.68 0.00 -0.14 0.54 -0.58 -1.26 -4.85 120.64 113.68 2e9h n GLU 108 Ca 0.04 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.84 2e9h n GLU 108 Cb 0.02 -0.36 0.12 0.00 -0.57 0.00 0.00 31.44 30.64 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 -0.53 -0.98 -2.83 0.00 0.28 0.34 -4.71 120.64 112.22 2e9h n GLU 110 Ca 0.11 0.09 -0.41 0.00 -0.16 0.00 0.00 57.16 56.78 2e9h n GLU 110 Cb 0.51 -3.54 -0.04 0.00 1.43 0.00 0.00 31.44 29.80 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2e9h s ASN 111 N -2.56 7.11 0.00 -1.84 3.84 -1.26 -4.22 114.94 116.01 2e9h s ASN 111 Ca 0.56 1.36 0.12 0.00 0.21 0.00 0.00 52.86 55.11 2e9h s ASN 111 Cb -0.33 -2.49 0.71 0.00 -0.55 0.00 0.00 41.25 38.59 2e9h s ASN 111 CO 0.69 -0.34 1.14 -0.81 -2.79 0.00 0.00 177.10 174.99 2e9h n PRO 112 N 4.68 0.49 -3.90 0.43 -0.04 -1.26 -2.32 135.00 133.08 2e9h n PRO 112 Ca 0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2e9h n PRO 112 Cb 0.50 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.00 2.17 0.45 0.54 0.41 -1.26 -4.74 118.70 114.27 2e9h s GLU 113 Ca 0.18 -2.71 0.03 0.00 -0.41 0.00 0.00 54.97 52.06 2e9h s GLU 113 Cb 0.08 -3.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 2e9h s GLU 113 CO 0.14 -1.14 0.10 0.95 -0.49 0.00 0.00 175.26 174.82 2e9h s THR 114 N -0.42 0.68 0.05 3.63 -4.23 -1.25 -4.43 115.64 109.67 2e9h s THR 114 Ca 0.18 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2e9h s THR 114 Cb -0.22 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 2e9h s THR 114 CO -0.03 0.00 -0.10 -0.62 -0.54 0.00 0.00 174.62 173.34 2e9h s ASP 115 N -3.70 1.12 0.02 3.99 -1.08 -1.01 -5.01 116.67 111.00 2e9h s ASP 115 Ca 0.17 -0.58 0.08 0.00 -0.52 0.00 0.00 52.55 51.71 2e9h s ASP 115 Cb 0.01 0.01 -0.03 0.00 -1.46 0.00 0.00 42.92 41.46 2e9h s ASP 115 CO 0.11 -0.17 -0.25 -0.76 0.52 0.00 0.00 175.17 174.63 2e9h s LEU 116 N -1.66 2.21 -0.16 -1.34 1.43 -1.26 -0.13 118.68 117.77 2e9h s LEU 116 Ca -0.07 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2e9h s LEU 116 Cb -0.10 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.80 2e9h s LEU 116 CO 0.01 0.28 -0.19 -1.00 0.23 0.00 0.00 176.35 175.69 2e9h s HIS 117 N -0.75 2.52 -0.27 0.29 3.76 0.90 -4.94 115.29 116.80 2e9h s HIS 117 Ca 0.11 -1.40 -0.08 0.00 -0.15 0.00 0.00 55.06 53.54 2e9h s HIS 117 Cb -0.10 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2e9h s HIS 117 CO 0.01 -0.70 0.10 0.54 -0.85 0.00 0.00 174.74 173.85 2e9h s VAL 118 N 1.20 4.43 -0.40 -0.90 0.11 -1.26 -0.86 120.40 122.71 2e9h s VAL 118 Ca 0.01 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 2e9h s VAL 118 Cb -0.14 -3.14 0.06 0.00 -1.53 0.00 0.00 36.38 31.62 2e9h s VAL 118 CO -0.09 0.24 0.25 0.21 -3.33 0.00 0.00 175.10 172.38 2e9h s ASN 119 N 1.62 5.73 0.00 3.54 3.84 -0.60 -4.94 114.94 124.12 2e9h s ASN 119 Ca 0.06 -1.27 0.15 0.00 0.21 0.00 0.00 52.86 52.01 2e9h s ASN 119 Cb -0.16 -2.02 0.82 0.00 -0.55 0.00 0.00 41.25 39.34 2e9h s ASN 119 CO 0.05 -0.48 1.39 -0.81 -2.79 0.00 0.00 177.10 174.45 2e9h n PRO 120 N 4.98 0.31 0.00 0.43 -0.04 -1.26 -1.26 135.00 138.16 2e9h n PRO 120 Ca -0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2e9h n PRO 120 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2e9h n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2e9h n LYS 121 N -1.18 0.00 0.00 0.54 4.76 -1.26 -4.39 118.16 116.63 2e9h n LYS 121 Ca 0.09 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.86 2e9h n LYS 121 Cb 0.09 -0.70 0.66 0.00 -1.84 0.00 0.00 35.03 33.25 2e9h n LYS 121 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2e9h n LYS 122 N -2.17 0.58 -3.66 1.97 4.01 -1.24 -4.89 118.16 112.75 2e9h n LYS 122 Ca 0.00 0.03 -0.22 0.00 -0.51 0.00 0.00 58.31 57.60 2e9h n LYS 122 Cb 0.00 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.06 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 -1.11 -4.01 -4.08 1.97 3.00 -0.39 -5.00 117.38 107.75 2e9h n GLN 123 Ca 0.15 0.61 -0.08 0.00 -0.01 0.00 0.00 57.00 57.68 2e9h n GLN 123 Cb 0.12 -5.06 -0.10 0.00 0.00 0.00 0.00 30.24 25.20 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2e9h s THR 124 N -3.62 0.27 -0.23 5.09 -4.23 -1.13 -4.99 115.64 106.81 2e9h s THR 124 Ca 0.12 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2e9h s THR 124 Cb -0.03 -1.29 0.05 0.00 1.34 0.00 0.00 72.50 72.56 2e9h s THR 124 CO 0.81 -0.88 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.27 2e9h s ILE 125 N -3.37 1.99 -0.16 2.99 1.01 -1.26 -1.56 121.20 120.84 2e9h s ILE 125 Ca 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 2e9h s ILE 125 Cb 0.04 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2e9h s ILE 125 CO -0.07 0.12 -0.05 -0.83 0.00 0.00 0.00 174.94 174.10 2e9h s GLY 126 N 1.22 1.69 0.11 6.18 0.00 -0.04 -0.04 107.32 116.43 2e9h s GLY 126 Ca -0.04 -0.85 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 2e9h s GLY 126 CO -0.07 -0.05 0.57 0.54 0.00 0.00 0.00 173.10 174.08 2e9h s ASN 127 N 0.43 6.98 -0.22 1.64 2.20 0.09 -0.07 114.94 125.99 2e9h s ASN 127 Ca -0.05 1.21 -0.01 0.00 -0.94 0.00 0.00 52.86 53.07 2e9h s ASN 127 Cb -0.14 -2.34 0.06 0.00 -2.00 0.00 0.00 41.25 36.83 2e9h s ASN 127 CO 0.03 0.20 0.01 -0.94 -2.94 0.00 0.00 177.10 173.47 2e9h s SER 128 N -1.35 3.39 0.46 3.54 1.04 0.81 -2.16 113.70 119.45 2e9h s SER 128 Ca 0.33 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 2e9h s SER 128 Cb -0.18 -0.85 -0.06 0.00 0.10 0.00 0.00 66.02 65.04 2e9h s SER 128 CO 0.19 -0.29 0.84 0.00 0.98 0.00 0.00 173.24 174.96 2e9h n LYS 130 N -1.69 2.76 -0.09 0.00 3.00 -1.26 -3.48 118.16 117.39 2e9h n LYS 130 Ca 0.03 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.26 2e9h n LYS 130 Cb 0.54 -1.12 -0.00 0.00 0.00 0.00 0.00 35.03 34.45 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e9h h ALA 131 N 0.27 0.38 0.00 3.14 0.00 -1.95 -3.33 119.26 117.77 2e9h h ALA 131 Ca -0.11 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2e9h h ALA 131 Cb 1.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2e9h h ALA 131 CO 0.01 -0.24 -1.54 0.00 0.00 0.00 0.00 179.25 177.48 2e9h n GLY 133 N 2.54 0.54 3.64 0.00 0.00 -1.23 -5.09 105.19 105.60 2e9h n GLY 133 Ca -0.13 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.81 3.24 -0.19 1.61 6.14 -1.24 -4.91 117.35 120.19 2e9h s TYR 134 Ca 0.00 0.07 0.01 0.00 0.64 0.00 0.00 57.07 57.79 2e9h s TYR 134 Cb 0.00 -2.02 0.04 0.00 0.42 0.00 0.00 41.96 40.40 2e9h s TYR 134 CO 0.00 0.21 -0.12 1.03 0.64 0.00 0.00 175.55 177.32 2e9h s ARG 135 N 0.11 2.14 0.10 4.97 3.00 -1.26 -1.09 118.95 126.91 2e9h s ARG 135 Ca 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 55.73 54.94 2e9h s ARG 135 Cb -0.12 -2.35 -0.02 0.00 0.00 0.00 0.00 34.95 32.45 2e9h s ARG 135 CO 0.01 -0.38 0.12 0.20 0.00 0.00 0.00 175.30 175.26 2e9h s GLY 136 N 1.41 0.43 -0.09 -3.53 0.00 -0.92 -5.01 107.32 99.61 2e9h s GLY 136 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 2e9h s GLY 136 CO -0.09 -1.06 0.44 -3.16 0.00 0.00 0.00 173.10 169.24 2e9h s MET 137 N -3.93 4.24 0.30 2.90 0.23 -1.26 -0.73 119.30 121.04 2e9h s MET 137 Ca 0.11 0.41 -0.11 0.00 -1.03 0.00 0.00 55.69 55.07 2e9h s MET 137 Cb 0.06 -3.38 -0.07 0.00 -1.53 0.00 0.00 34.83 29.90 2e9h s MET 137 CO -0.06 0.30 0.66 -0.51 -2.03 0.00 0.00 175.02 173.37 2e9h s LEU 138 N 0.17 4.06 0.06 0.18 1.43 0.95 -4.93 118.68 120.60 2e9h s LEU 138 Ca 0.24 1.06 -0.37 0.00 -1.03 0.00 0.00 54.13 54.03 2e9h s LEU 138 Cb -0.15 -3.87 -0.18 0.00 0.03 0.00 0.00 46.19 42.02 2e9h s LEU 138 CO 0.10 -0.19 1.16 -0.67 0.23 0.00 0.00 176.35 176.98 2e9h n ASP 139 N -0.52 0.71 -2.74 2.29 -0.08 -1.26 -4.50 116.55 110.44 2e9h n ASP 139 Ca 0.02 1.14 -0.28 0.00 -1.51 0.00 0.00 54.79 54.16 2e9h n ASP 139 Cb 0.53 -1.06 -0.08 0.00 2.34 0.00 0.00 41.12 42.85 2e9h n ASP 139 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2e9h n THR 140 N 1.83 3.83 -1.29 5.18 -1.04 -1.26 -4.82 114.28 116.70 2e9h n THR 140 Ca 0.19 -2.43 -0.57 0.00 -2.04 0.00 0.00 64.05 59.19 2e9h n THR 140 Cb 0.15 -2.20 -0.12 0.00 -1.82 0.00 0.00 70.33 66.34 2e9h n THR 140 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2e9h n HIS 141 N 2.63 1.12 0.12 -1.42 -0.00 -1.26 -4.70 115.22 111.70 2e9h n HIS 141 Ca 0.60 0.69 0.07 0.00 0.46 0.00 0.00 57.72 59.54 2e9h n HIS 141 Cb 0.53 -2.32 0.37 0.00 -0.12 0.00 0.00 29.99 28.45 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 8.06 0.46 -0.11 1.57 8.25 -1.26 0.27 115.22 132.46 2e9h n HIS 142 Ca 0.55 0.24 -0.18 0.00 -0.26 0.00 0.00 57.72 58.07 2e9h n HIS 142 Cb -0.01 -0.81 -0.06 0.00 1.12 0.00 0.00 29.99 30.22 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 -1.98 0.55 0.04 -0.41 0.00 -1.26 -4.19 118.16 110.90 2e9h n LYS 143 Ca -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 58.31 58.56 2e9h n LYS 143 Cb 0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.64 2e9h n LYS 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2e9h h LEU 144 N -1.00 -0.16 -0.78 3.14 5.85 -1.84 -3.11 115.31 117.41 2e9h h LEU 144 Ca -0.32 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.57 2e9h h LEU 144 Cb 1.24 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.17 2e9h h LEU 144 CO -0.19 0.25 -0.15 0.00 -0.34 0.00 0.00 178.44 178.01 2e9h h THR 146 N 0.02 0.93 0.10 0.00 1.03 -1.64 -0.43 112.91 112.92 2e9h h THR 146 Ca 0.39 -0.07 -0.14 0.00 -0.01 0.00 0.00 66.41 66.58 2e9h h THR 146 Cb 0.62 0.72 0.02 0.00 -1.07 0.00 0.00 68.15 68.44 2e9h h THR 146 CO -0.78 0.03 -0.62 0.15 -0.01 0.00 0.00 175.52 174.29 2e9h h PHE 147 N 0.19 0.42 -0.90 0.00 3.04 0.75 -3.05 116.94 117.39 2e9h h PHE 147 Ca 0.15 -0.30 0.03 0.00 3.98 0.00 0.00 57.97 61.83 2e9h h PHE 147 Cb 0.37 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 2e9h h PHE 147 CO -0.00 1.23 0.59 0.82 -2.02 0.00 0.00 178.31 178.93 2e9h h ILE 148 N -0.51 1.16 -0.54 1.41 2.04 0.00 -1.21 117.51 119.87 2e9h h ILE 148 Ca -0.11 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 2e9h h ILE 148 Cb 1.48 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2e9h h ILE 148 CO 0.12 0.21 -0.03 -0.07 0.00 0.00 0.00 178.15 178.37 2e9h h LEU 149 N 1.13 0.96 -1.13 1.44 3.38 -1.19 -2.85 115.31 117.04 2e9h h LEU 149 Ca 0.36 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2e9h h LEU 149 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2e9h h LEU 149 CO -0.11 1.05 -0.17 0.11 0.09 0.00 0.00 178.44 179.41 2e9h h LYS 150 N 0.84 0.40 -3.60 1.13 1.79 -1.28 -3.38 116.57 112.47 2e9h h LYS 150 Ca 0.15 -0.12 -0.58 0.00 -2.18 0.00 0.00 60.65 57.91 2e9h h LYS 150 Cb 0.58 -0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.79 2e9h h LYS 150 CO 0.03 0.57 -0.75 -0.80 -1.08 0.00 0.00 179.45 177.41 2e9h s ASN 151 N -6.81 4.06 0.81 0.86 0.01 -0.52 -5.11 114.94 108.23 2e9h s ASN 151 Ca -0.06 -1.66 -0.11 0.00 -0.71 0.00 0.00 52.86 50.32 2e9h s ASN 151 Cb 0.15 -0.89 0.08 0.00 0.41 0.00 0.00 41.25 40.99 2e9h s ASN 151 CO 0.77 -0.41 1.09 -2.16 -1.51 0.00 0.00 177.10 174.87 2e9h s PRO 152 N 1.59 1.99 0.43 -0.60 0.04 -1.18 -4.57 135.00 132.70 2e9h s PRO 152 Ca 0.10 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.97 2e9h s PRO 152 Cb -0.17 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2e9h s PRO 152 CO -0.25 -1.81 1.18 -1.25 0.04 0.00 0.00 177.00 174.91 2e9h s PRO 153 N -4.91 3.90 0.11 0.56 0.04 -1.26 -4.94 135.00 128.50 2e9h s PRO 153 Ca 0.62 1.83 -0.32 0.00 0.04 0.00 0.00 61.00 63.17 2e9h s PRO 153 Cb -0.17 -2.55 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 2e9h s PRO 153 CO 0.56 -0.45 1.80 -1.91 0.04 0.00 0.00 177.00 177.05 2e9h n GLU 154 N -0.20 2.65 -3.90 4.56 0.00 -1.26 -4.97 120.64 117.53 2e9h n GLU 154 Ca 0.06 0.96 -0.35 0.00 0.00 0.00 0.00 57.16 57.83 2e9h n GLU 154 Cb 0.47 -2.84 -0.14 0.00 0.00 0.00 0.00 31.44 28.94 2e9h n GLU 154 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2e9h s ASN 155 N 2.55 4.84 -0.08 4.31 3.84 -1.26 -4.99 114.94 124.15 2e9h s ASN 155 Ca 0.82 -1.17 -0.15 0.00 0.21 0.00 0.00 52.86 52.57 2e9h s ASN 155 Cb -0.53 -1.72 -0.11 0.00 -0.55 0.00 0.00 41.25 38.33 2e9h s ASN 155 CO 0.38 -0.24 0.56 -1.28 -2.79 0.00 0.00 177.10 173.74 2e9h h SER 156 N 8.03 -0.16 0.00 -4.21 0.87 -2.06 -3.56 113.55 112.46 2e9h h SER 156 Ca -0.24 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2e9h h SER 156 Cb 1.07 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2e9h h SER 156 CO 0.55 0.43 0.00 0.47 -0.53 0.00 0.00 176.83 177.74