#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ra6 n SER 25 N 0.00 3.27 0.00 -1.43 2.88 -1.24 -4.32 113.62 112.78 2ra6 n SER 25 Ca 0.00 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2ra6 n SER 25 Cb 0.00 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.78 2ra6 n SER 25 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ra6 n ARG 26 N 8.13 0.00 -2.51 -1.46 3.00 0.12 -4.92 116.66 119.02 2ra6 n ARG 26 Ca 0.46 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.87 2ra6 n ARG 26 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.89 2ra6 n ARG 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2ra6 s HIS 27 N -2.17 3.18 0.06 -1.55 5.65 -1.26 -1.66 115.29 117.54 2ra6 s HIS 27 Ca 0.00 1.26 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2ra6 s HIS 27 Cb 0.00 -3.39 -0.04 0.00 -1.18 0.00 0.00 32.58 27.98 2ra6 s HIS 27 CO 0.00 -1.13 -0.04 -1.58 -0.65 0.00 0.00 174.74 171.33 2ra6 s TRP 28 N 2.58 0.61 -0.00 3.88 0.52 -1.02 -4.62 118.94 120.89 2ra6 s TRP 28 Ca 0.53 -0.94 0.03 0.00 0.02 0.00 0.00 56.10 55.74 2ra6 s TRP 28 Cb -0.22 -0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.69 2ra6 s TRP 28 CO 0.18 -0.28 -0.09 -1.01 0.02 0.00 0.00 176.95 175.78 2ra6 s HIS 29 N -3.44 0.76 -0.13 -1.98 3.76 0.16 -3.91 115.29 110.52 2ra6 s HIS 29 Ca 0.05 -0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2ra6 s HIS 29 Cb 0.04 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 2ra6 s HIS 29 CO -0.07 -0.01 0.94 0.99 -0.85 0.00 0.00 174.74 175.73 2ra6 s THR 30 N -0.28 4.83 -0.15 1.30 2.01 -1.26 -0.91 115.64 121.18 2ra6 s THR 30 Ca 0.03 1.88 -0.00 0.00 0.31 0.00 0.00 61.69 63.91 2ra6 s THR 30 Cb -0.04 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 2ra6 s THR 30 CO -0.00 0.02 -0.15 0.52 -0.69 0.00 0.00 174.62 174.32 2ra6 n VAL 31 N 4.59 0.88 -3.89 3.82 0.31 -0.04 -4.57 118.33 119.42 2ra6 n VAL 31 Ca 0.07 -0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 2ra6 n VAL 31 Cb 0.49 -1.14 -0.14 0.00 -0.91 0.00 0.00 33.84 32.14 2ra6 n VAL 31 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2ra6 s VAL 32 N -2.31 0.03 0.05 2.52 1.01 -1.07 -0.16 120.40 120.48 2ra6 s VAL 32 Ca -0.21 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2ra6 s VAL 32 Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 2ra6 s VAL 32 CO 0.34 -0.03 -0.19 -0.76 0.00 0.00 0.00 175.10 174.46 2ra6 s LEU 33 N -0.13 2.19 -0.08 3.92 1.43 -0.53 -0.94 118.68 124.54 2ra6 s LEU 33 Ca -0.01 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2ra6 s LEU 33 Cb -0.01 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.37 2ra6 s LEU 33 CO -0.00 0.12 0.36 0.00 0.23 0.00 0.00 176.35 177.06 2ra6 s ALA 34 N -0.86 -0.91 0.06 4.21 0.00 -0.51 -0.26 121.76 123.48 2ra6 s ALA 34 Ca 0.06 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 2ra6 s ALA 34 Cb -0.09 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.81 2ra6 s ALA 34 CO 0.02 -0.23 0.48 0.45 0.00 0.00 0.00 175.76 176.48 2ra6 s SER 35 N -0.57 -0.37 0.45 0.00 0.15 -0.87 -0.21 113.70 112.28 2ra6 s SER 35 Ca -0.07 0.07 0.24 0.00 0.70 0.00 0.00 55.95 56.89 2ra6 s SER 35 Cb -0.04 0.47 1.05 0.00 -1.71 0.00 0.00 66.02 65.79 2ra6 s SER 35 CO 0.03 -0.72 1.89 0.77 1.20 0.00 0.00 173.24 176.41 2ra6 h SER 36 N 2.81 0.00 -3.63 5.45 4.64 -1.69 -3.36 113.55 117.77 2ra6 h SER 36 Ca -0.31 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.36 2ra6 h SER 36 Cb 1.22 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 2ra6 h SER 36 CO 0.42 0.22 -0.73 -0.62 -0.87 0.00 0.00 176.83 175.26 2ra6 s ASP 37 N -6.23 4.66 0.50 4.97 -1.08 -1.26 -4.99 116.67 113.24 2ra6 s ASP 37 Ca -0.01 -2.07 0.24 0.00 -0.52 0.00 0.00 52.55 50.20 2ra6 s ASP 37 Cb 0.11 -1.53 1.32 0.00 -1.46 0.00 0.00 42.92 41.37 2ra6 s ASP 37 CO 0.63 -0.38 1.94 -0.09 0.52 0.00 0.00 175.17 177.79 2ra6 h ARG 38 N 7.68 0.12 0.00 4.34 2.43 -1.91 -1.00 114.38 126.03 2ra6 h ARG 38 Ca -0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2ra6 h ARG 38 Cb 1.02 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2ra6 h ARG 38 CO 0.51 0.08 -0.03 0.66 -1.51 0.00 0.00 179.97 179.67 2ra6 h SER 39 N 0.12 0.00 0.41 -3.80 4.64 -1.95 -1.38 113.55 111.59 2ra6 h SER 39 Ca 0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 2ra6 h SER 39 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2ra6 h SER 39 CO -0.04 0.03 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.68 2ra6 h LEU 40 N 0.00 0.00 -1.58 5.97 3.38 -1.57 -3.10 115.31 118.41 2ra6 h LEU 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ra6 h LEU 40 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ra6 h LEU 40 CO 0.00 0.21 0.00 2.30 0.09 0.00 0.00 178.44 181.04 2ra6 n ILE 41 N -3.81 0.16 -2.00 1.22 -5.35 -0.60 -0.62 119.36 108.36 2ra6 n ILE 41 Ca -0.02 -0.58 -0.29 0.00 -0.27 0.00 0.00 62.75 61.59 2ra6 n ILE 41 Cb 0.31 1.07 0.17 0.00 -1.74 0.00 0.00 39.64 39.44 2ra6 n ILE 41 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2ra6 s GLU 42 N -0.75 0.87 0.31 6.28 2.02 -0.75 -4.61 118.70 122.06 2ra6 s GLU 42 Ca 0.11 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 2ra6 s GLU 42 Cb 0.07 -1.91 -0.13 0.00 0.10 0.00 0.00 34.13 32.26 2ra6 s GLU 42 CO 0.11 -2.24 1.13 0.39 0.02 0.00 0.00 175.26 174.67 2ra6 n GLU 43 N -3.63 1.68 -0.84 1.61 1.02 -1.26 -0.30 120.64 118.92 2ra6 n GLU 43 Ca 0.15 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2ra6 n GLU 43 Cb 0.60 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2ra6 n GLU 43 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ra6 n GLU 44 N 0.69 -0.37 -2.52 3.49 -0.58 -1.26 -4.98 120.64 115.11 2ra6 n GLU 44 Ca 0.08 0.09 -0.38 0.00 -0.42 0.00 0.00 57.16 56.53 2ra6 n GLU 44 Cb 0.34 -3.69 -0.04 0.00 -0.57 0.00 0.00 31.44 27.48 2ra6 n GLU 44 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2ra6 s GLY 45 N -2.00 2.91 0.53 0.62 0.00 0.59 -4.95 107.32 105.03 2ra6 s GLY 45 Ca 0.00 0.79 0.21 0.00 0.00 0.00 0.00 44.72 45.73 2ra6 s GLY 45 CO 0.00 1.31 2.08 -2.55 0.00 0.00 0.00 173.10 173.95 2ra6 h PRO 46 N 3.19 0.00 -0.46 2.90 0.11 -1.78 -2.39 132.00 133.57 2ra6 h PRO 46 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ra6 h PRO 46 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ra6 h PRO 46 CO 0.65 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.63 2ra6 n PHE 47 N -4.39 0.94 -2.60 0.65 3.01 0.21 -4.70 117.46 110.57 2ra6 n PHE 47 Ca 0.03 -0.61 -0.43 0.00 1.01 0.00 0.00 57.45 57.44 2ra6 n PHE 47 Cb 0.33 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2ra6 n PHE 47 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2ra6 n ARG 48 N 0.61 3.61 -4.98 -1.08 0.63 -0.90 -4.78 116.66 109.78 2ra6 n ARG 48 Ca 0.19 -3.73 -0.30 0.00 -0.92 0.00 0.00 57.85 53.09 2ra6 n ARG 48 Cb 0.69 -2.92 -0.15 0.00 0.45 0.00 0.00 32.46 30.53 2ra6 n ARG 48 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2ra6 s ASN 49 N 1.27 3.22 -0.29 6.15 0.01 -1.26 -4.57 114.94 119.46 2ra6 s ASN 49 Ca 0.40 -0.54 -0.05 0.00 -0.71 0.00 0.00 52.86 51.96 2ra6 s ASN 49 Cb 0.05 -0.34 0.02 0.00 0.41 0.00 0.00 41.25 41.39 2ra6 s ASN 49 CO 0.01 0.28 0.05 -0.36 -1.51 0.00 0.00 177.10 175.56 2ra6 s PHE 50 N -0.77 3.16 0.48 2.20 0.08 0.20 -4.91 117.98 118.42 2ra6 s PHE 50 Ca 0.12 -1.27 -0.23 0.00 0.12 0.00 0.00 56.93 55.66 2ra6 s PHE 50 Cb -0.10 -2.21 -0.07 0.00 -0.57 0.00 0.00 43.02 40.08 2ra6 s PHE 50 CO 0.02 -0.66 1.30 -1.50 -0.10 0.00 0.00 175.22 174.27 2ra6 s ILE 51 N 1.42 2.49 -0.02 0.64 1.10 -1.26 -0.88 121.20 124.69 2ra6 s ILE 51 Ca 0.00 0.39 -0.00 0.00 -0.51 0.00 0.00 60.65 60.54 2ra6 s ILE 51 Cb -0.18 -3.21 -0.01 0.00 0.15 0.00 0.00 42.46 39.21 2ra6 s ILE 51 CO 0.01 0.02 -0.02 0.00 -2.11 0.00 0.00 174.94 172.84 2ra6 n GLN 52 N -0.51 0.05 -3.49 3.50 1.13 0.61 -4.13 117.38 114.54 2ra6 n GLN 52 Ca 0.07 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.05 2ra6 n GLN 52 Cb 0.45 -0.94 -0.02 0.00 0.11 0.00 0.00 30.24 29.84 2ra6 n GLN 52 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ra6 s ASN 53 N -4.40 -0.43 -0.06 1.08 2.20 -1.11 -2.43 114.94 109.80 2ra6 s ASN 53 Ca -0.03 0.05 0.02 0.00 -0.94 0.00 0.00 52.86 51.96 2ra6 s ASN 53 Cb 0.01 0.44 0.02 0.00 -2.00 0.00 0.00 41.25 39.71 2ra6 s ASN 53 CO 0.04 -0.69 -0.09 -0.63 -2.94 0.00 0.00 177.10 172.79 2ra6 s ILE 54 N -3.08 0.88 -0.11 0.54 1.01 -0.66 -1.29 121.20 118.49 2ra6 s ILE 54 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2ra6 s ILE 54 Cb -0.01 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2ra6 s ILE 54 CO -0.09 0.30 -0.23 -0.89 0.00 0.00 0.00 174.94 174.04 2ra6 s THR 55 N 0.75 2.17 -0.22 2.92 2.01 0.13 -0.70 115.64 122.71 2ra6 s THR 55 Ca -0.13 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 2ra6 s THR 55 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 2ra6 s THR 55 CO 0.02 0.55 0.45 -0.69 -0.69 0.00 0.00 174.62 174.27 2ra6 s VAL 56 N 0.38 5.15 -0.06 3.82 1.01 -1.26 0.13 120.40 129.58 2ra6 s VAL 56 Ca -0.17 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 2ra6 s VAL 56 Cb -0.18 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2ra6 s VAL 56 CO 0.08 0.20 0.02 -0.70 0.00 0.00 0.00 175.10 174.69 2ra6 s GLU 57 N 1.62 0.34 -1.43 2.72 2.12 -0.12 -4.82 118.70 119.14 2ra6 s GLU 57 Ca 0.21 0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.71 2ra6 s GLU 57 Cb -0.15 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.50 2ra6 s GLU 57 CO 0.09 -0.29 0.23 0.43 -0.54 0.00 0.00 175.26 175.18 2ra6 n SER 58 N 5.07 -5.03 0.00 -1.70 7.64 -1.26 -0.35 113.62 117.99 2ra6 n SER 58 Ca -0.08 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2ra6 n SER 58 Cb 0.50 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 2ra6 n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ra6 n GLY 59 N -1.11 2.12 3.90 0.23 0.00 -1.26 -4.90 105.19 104.17 2ra6 n GLY 59 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2ra6 n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ra6 s ASN 60 N -3.51 6.45 -0.36 1.61 0.01 0.52 -4.22 114.94 115.46 2ra6 s ASN 60 Ca 0.00 0.75 -0.10 0.00 -0.71 0.00 0.00 52.86 52.80 2ra6 s ASN 60 Cb 0.00 -2.16 0.02 0.00 0.41 0.00 0.00 41.25 39.52 2ra6 s ASN 60 CO 0.00 -0.21 0.18 -0.76 -1.51 0.00 0.00 177.10 174.80 2ra6 s LEU 61 N -3.58 4.53 -0.46 0.60 1.43 0.09 -0.94 118.68 120.35 2ra6 s LEU 61 Ca 0.45 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2ra6 s LEU 61 Cb -0.11 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.15 2ra6 s LEU 61 CO 0.30 -0.33 0.59 0.20 0.23 0.00 0.00 176.35 177.34 2ra6 s ASN 62 N 1.55 6.25 -0.08 2.29 0.01 0.12 -0.85 114.94 124.23 2ra6 s ASN 62 Ca 0.02 -0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 51.48 2ra6 s ASN 62 Cb -0.19 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 2ra6 s ASN 62 CO 0.06 -0.78 0.09 -0.83 -1.51 0.00 0.00 177.10 174.13 2ra6 s GLY 63 N 2.24 2.03 -0.22 0.66 0.00 0.22 -0.69 107.32 111.57 2ra6 s GLY 63 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 2ra6 s GLY 63 CO 0.15 -0.52 -0.11 -0.12 0.00 0.00 0.00 173.10 172.50 2ra6 s PHE 64 N -1.02 2.95 0.38 1.90 5.36 -0.41 -1.49 117.98 125.65 2ra6 s PHE 64 Ca 0.16 -1.54 0.07 0.00 -0.96 0.00 0.00 56.93 54.66 2ra6 s PHE 64 Cb -0.12 -2.00 -0.07 0.00 -0.34 0.00 0.00 43.02 40.49 2ra6 s PHE 64 CO 0.06 -0.74 -0.01 -0.06 -1.46 0.00 0.00 175.22 173.01 2ra6 s PHE 65 N 1.32 2.38 0.04 10.12 0.40 0.61 -0.28 117.98 132.57 2ra6 s PHE 65 Ca 0.02 -0.68 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 2ra6 s PHE 65 Cb -0.15 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2ra6 s PHE 65 CO -0.08 0.40 -0.22 -0.51 0.70 0.00 0.00 175.22 175.52 2ra6 s LEU 66 N -3.64 2.15 0.01 -0.37 1.43 -0.06 -0.46 118.68 117.74 2ra6 s LEU 66 Ca 0.34 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2ra6 s LEU 66 Cb 0.08 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 2ra6 s LEU 66 CO 0.17 0.19 -0.02 0.28 0.23 0.00 0.00 176.35 177.20 2ra6 s THR 67 N -0.76 0.08 -0.04 5.49 -1.32 -0.57 -0.63 115.64 117.89 2ra6 s THR 67 Ca 0.08 -0.68 -0.22 0.00 -1.21 0.00 0.00 61.69 59.67 2ra6 s THR 67 Cb -0.09 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 2ra6 s THR 67 CO 0.01 -0.37 0.65 -0.60 -2.21 0.00 0.00 174.62 172.11 2ra6 s ARG 68 N -1.09 4.40 -0.19 7.08 3.52 -1.26 -0.90 118.95 130.51 2ra6 s ARG 68 Ca -0.12 0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 56.22 2ra6 s ARG 68 Cb -0.07 -3.41 0.08 0.00 -1.56 0.00 0.00 34.95 29.99 2ra6 s ARG 68 CO -0.01 0.18 0.41 0.15 -0.81 0.00 0.00 175.30 175.23 2ra6 s LYS 69 N 0.41 0.33 -1.81 5.12 -0.14 0.20 -4.78 119.74 119.08 2ra6 s LYS 69 Ca 0.34 0.96 0.00 0.00 -1.36 0.00 0.00 55.97 55.91 2ra6 s LYS 69 Cb -0.18 0.22 0.00 0.00 -1.68 0.00 0.00 37.83 36.19 2ra6 s LYS 69 CO 0.17 -0.23 0.00 0.27 -0.76 0.00 0.00 175.35 174.81 2ra6 n ASN 70 N 5.08 -5.34 0.00 2.83 6.94 -1.26 -0.76 115.26 122.74 2ra6 n ASN 70 Ca -0.12 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 2ra6 n ASN 70 Cb 0.51 -4.58 0.00 0.00 -2.36 0.00 0.00 39.78 33.35 2ra6 n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ra6 n GLY 71 N -0.72 1.04 3.61 4.83 0.00 -1.26 -5.04 105.19 107.65 2ra6 n GLY 71 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2ra6 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ra6 s GLN 72 N -0.35 2.36 -0.62 1.61 -1.52 0.06 -5.08 119.66 116.13 2ra6 s GLN 72 Ca 0.00 -0.89 -0.21 0.00 -1.95 0.00 0.00 55.36 52.31 2ra6 s GLN 72 Cb 0.00 -2.42 0.08 0.00 -0.22 0.00 0.00 33.01 30.45 2ra6 s GLN 72 CO 0.00 0.54 0.86 0.00 -0.25 0.00 0.00 175.29 176.44 2ra6 s ILE 74 N 3.52 5.26 0.49 0.00 -4.36 -0.08 -4.85 121.20 121.17 2ra6 s ILE 74 Ca 0.19 0.45 -0.22 0.00 -0.26 0.00 0.00 60.65 60.80 2ra6 s ILE 74 Cb -0.19 -3.57 -0.07 0.00 1.25 0.00 0.00 42.46 39.88 2ra6 s ILE 74 CO 0.10 0.52 1.22 -2.84 0.24 0.00 0.00 174.94 174.18 2ra6 s PRO 75 N -1.27 3.58 -0.10 0.37 0.02 -1.26 -1.52 135.00 134.81 2ra6 s PRO 75 Ca 0.22 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 63.11 2ra6 s PRO 75 Cb -0.14 -2.35 0.04 0.00 0.02 0.00 0.00 34.50 32.07 2ra6 s PRO 75 CO 0.11 -0.74 0.05 -1.17 -0.33 0.00 0.00 177.00 174.92 2ra6 s LEU 76 N -3.18 0.45 -0.18 -5.54 2.96 0.39 -4.88 118.68 108.69 2ra6 s LEU 76 Ca 0.66 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2ra6 s LEU 76 Cb -0.32 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 2ra6 s LEU 76 CO 0.38 -0.26 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.79 2ra6 s TYR 77 N 2.07 2.97 0.14 5.38 1.51 -1.26 -0.28 117.35 127.87 2ra6 s TYR 77 Ca 0.04 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 2ra6 s TYR 77 Cb -0.14 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2ra6 s TYR 77 CO -0.06 -0.24 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.55 2ra6 s LEU 78 N 0.78 2.48 -0.09 -1.29 1.43 -0.55 -5.01 118.68 116.43 2ra6 s LEU 78 Ca -0.02 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2ra6 s LEU 78 Cb -0.15 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 45.85 2ra6 s LEU 78 CO 0.02 -0.39 -0.03 -0.89 0.23 0.00 0.00 176.35 175.29 2ra6 s THR 79 N -3.43 0.63 -0.36 5.49 2.01 -1.26 -0.61 115.64 118.12 2ra6 s THR 79 Ca 0.16 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2ra6 s THR 79 Cb 0.04 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 2ra6 s THR 79 CO -0.00 0.30 0.44 0.00 -0.69 0.00 0.00 174.62 174.67 2ra6 s ALA 80 N 1.85 3.48 0.17 7.40 0.00 -0.03 -4.64 121.76 129.99 2ra6 s ALA 80 Ca 0.05 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 2ra6 s ALA 80 Cb -0.12 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 2ra6 s ALA 80 CO -0.06 -1.21 0.77 -0.06 0.00 0.00 0.00 175.76 175.20 2ra6 s PHE 81 N 2.19 3.88 0.82 0.00 0.40 0.20 -0.73 117.98 124.74 2ra6 s PHE 81 Ca 0.15 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.98 2ra6 s PHE 81 Cb -0.16 -2.75 0.09 0.00 0.51 0.00 0.00 43.02 40.71 2ra6 s PHE 81 CO 0.13 0.49 1.12 -1.59 0.70 0.00 0.00 175.22 176.07 2ra6 s LYS 82 N -1.25 1.79 0.21 0.44 -2.85 -1.26 -0.63 119.74 116.19 2ra6 s LYS 82 Ca 0.37 1.35 0.02 0.00 -1.00 0.00 0.00 55.97 56.71 2ra6 s LYS 82 Cb -0.22 -1.83 -0.01 0.00 -2.06 0.00 0.00 37.83 33.71 2ra6 s LYS 82 CO 0.25 -2.02 0.07 0.25 0.10 0.00 0.00 175.35 174.00 2ra6 n THR 83 N -3.72 0.00 0.21 3.79 -2.24 -1.16 -4.76 114.28 106.41 2ra6 n THR 83 Ca 0.10 -1.21 0.05 0.00 -2.27 0.00 0.00 64.05 60.72 2ra6 n THR 83 Cb 0.52 0.42 0.44 0.00 -2.10 0.00 0.00 70.33 69.62 2ra6 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ra6 h GLU 84 N 0.00 0.00 -5.92 -0.78 5.08 -1.97 -3.42 114.58 107.57 2ra6 h GLU 84 Ca -0.17 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 2ra6 h GLU 84 Cb 0.62 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 2ra6 h GLU 84 CO 0.26 0.30 -0.10 -1.21 -1.00 0.00 0.00 179.01 177.26 2ra6 s GLU 85 N -4.18 4.26 0.65 2.33 0.41 -1.26 -5.05 118.70 115.85 2ra6 s GLU 85 Ca -0.03 0.55 -0.17 0.00 -0.41 0.00 0.00 54.97 54.92 2ra6 s GLU 85 Cb 0.14 -3.36 -0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2ra6 s GLU 85 CO 0.69 0.33 1.20 0.00 -0.49 0.00 0.00 175.26 176.99 2ra6 s ALA 86 N 0.02 2.38 0.00 5.21 0.00 -1.26 -2.70 121.76 125.41 2ra6 s ALA 86 Ca 0.28 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2ra6 s ALA 86 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2ra6 s ALA 86 CO 0.13 -1.45 0.00 2.89 0.00 0.00 0.00 175.76 177.33 2ra6 n ARG 87 N -2.08 -1.49 -4.83 0.00 1.85 -1.26 -4.94 116.66 103.91 2ra6 n ARG 87 Ca 0.13 0.35 -0.33 0.00 -1.00 0.00 0.00 57.85 57.01 2ra6 n ARG 87 Cb 0.50 -4.72 -0.13 0.00 -1.05 0.00 0.00 32.46 27.05 2ra6 n ARG 87 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2ra6 s GLN 88 N -1.65 2.84 0.22 2.89 0.74 -1.10 -0.84 119.66 122.76 2ra6 s GLN 88 Ca 0.00 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.74 2ra6 s GLN 88 Cb 0.00 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.58 2ra6 s GLN 88 CO 0.00 0.48 0.06 -0.06 -0.55 0.00 0.00 175.29 175.22 2ra6 s PHE 89 N -0.35 1.41 -0.05 1.67 0.40 0.90 -2.97 117.98 118.99 2ra6 s PHE 89 Ca 0.04 -1.12 0.06 0.00 -0.60 0.00 0.00 56.93 55.31 2ra6 s PHE 89 Cb -0.12 -0.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 2ra6 s PHE 89 CO 0.02 -0.29 -0.22 0.15 0.70 0.00 0.00 175.22 175.59 2ra6 s LYS 90 N -3.99 2.20 -0.03 0.44 1.02 0.20 -0.86 119.74 118.72 2ra6 s LYS 90 Ca 0.32 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.53 2ra6 s LYS 90 Cb 0.07 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 2ra6 s LYS 90 CO 0.10 0.35 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.68 2ra6 s LEU 91 N -0.15 1.41 -0.46 3.17 2.96 -0.83 -0.63 118.68 124.15 2ra6 s LEU 91 Ca -0.02 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 53.64 2ra6 s LEU 91 Cb -0.12 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.28 2ra6 s LEU 91 CO 0.03 -0.04 0.43 0.21 -1.32 0.00 0.00 176.35 175.65 2ra6 s ASN 92 N 0.74 6.17 -0.29 3.68 3.84 -1.26 -0.78 114.94 127.03 2ra6 s ASN 92 Ca -0.09 -1.01 -0.15 0.00 0.21 0.00 0.00 52.86 51.82 2ra6 s ASN 92 Cb -0.12 -2.21 0.14 0.00 -0.55 0.00 0.00 41.25 38.51 2ra6 s ASN 92 CO -0.00 -0.64 0.93 -0.47 -2.79 0.00 0.00 177.10 174.12 2ra6 s TYR 93 N 1.96 -0.70 -1.41 0.43 5.04 -1.26 -4.94 117.35 116.47 2ra6 s TYR 93 Ca 0.08 1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 2ra6 s TYR 93 Cb -0.21 0.42 0.01 0.00 0.35 0.00 0.00 41.96 42.53 2ra6 s TYR 93 CO 0.10 -0.35 0.45 0.98 -1.34 0.00 0.00 175.55 175.39 2ra6 n TYR 94 N 4.22 -1.67 0.00 4.97 9.36 -1.26 -4.15 117.16 128.63 2ra6 n TYR 94 Ca -0.16 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2ra6 n TYR 94 Cb 0.56 -3.75 0.00 0.00 -0.63 0.00 0.00 39.34 35.51 2ra6 n TYR 94 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ra6 n GLY 95 N -1.94 0.90 3.34 2.98 0.00 -1.26 -4.45 105.19 104.74 2ra6 n GLY 95 Ca -0.30 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 2ra6 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ra6 s THR 96 N 0.00 1.82 -0.03 2.61 -4.23 -0.90 -4.56 115.64 110.36 2ra6 s THR 96 Ca 0.00 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2ra6 s THR 96 Cb 0.00 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.99 2ra6 s THR 96 CO 0.00 -0.33 0.08 0.20 -0.54 0.00 0.00 174.62 174.03 2ra6 s ASN 97 N -2.71 -0.08 -0.31 3.99 0.01 0.04 -0.89 114.94 115.00 2ra6 s ASN 97 Ca 0.16 0.15 -0.11 0.00 -0.71 0.00 0.00 52.86 52.36 2ra6 s ASN 97 Cb -0.05 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.73 2ra6 s ASN 97 CO 0.07 -0.03 0.18 -1.81 -1.51 0.00 0.00 177.10 174.00 2ra6 s ASP 98 N 0.09 5.80 -0.15 -1.22 -0.00 -0.55 -1.97 116.67 118.67 2ra6 s ASP 98 Ca -0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 52.55 52.18 2ra6 s ASP 98 Cb -0.01 -2.07 -0.03 0.00 -0.00 0.00 0.00 42.92 40.81 2ra6 s ASP 98 CO -0.00 -0.16 -0.01 -0.69 -0.00 0.00 0.00 175.17 174.32 2ra6 s VAL 99 N 1.69 4.19 -0.10 -1.27 1.01 -0.04 -1.02 120.40 124.85 2ra6 s VAL 99 Ca 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2ra6 s VAL 99 Cb -0.17 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2ra6 s VAL 99 CO 0.09 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.16 2ra6 s TYR 100 N 0.14 2.40 -0.09 5.22 2.02 0.18 -0.07 117.35 127.15 2ra6 s TYR 100 Ca 0.01 -1.02 -0.07 0.00 -0.37 0.00 0.00 57.07 55.62 2ra6 s TYR 100 Cb -0.13 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2ra6 s TYR 100 CO 0.02 -0.43 0.17 -0.47 -1.57 0.00 0.00 175.55 173.27 2ra6 s TYR 101 N 0.49 3.60 -0.05 2.71 5.04 -0.02 -0.81 117.35 128.31 2ra6 s TYR 101 Ca -0.16 0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 54.90 2ra6 s TYR 101 Cb -0.17 -1.95 0.02 0.00 0.35 0.00 0.00 41.96 40.21 2ra6 s TYR 101 CO 0.06 0.71 0.27 -1.21 -1.34 0.00 0.00 175.55 174.04 2ra6 s GLU 102 N -1.22 0.50 -0.30 4.97 2.02 -0.09 -4.90 118.70 119.67 2ra6 s GLU 102 Ca 0.18 0.01 -0.17 0.00 0.02 0.00 0.00 54.97 55.01 2ra6 s GLU 102 Cb -0.13 0.22 0.20 0.00 0.10 0.00 0.00 34.13 34.53 2ra6 s GLU 102 CO 0.08 -0.11 1.23 0.45 0.02 0.00 0.00 175.26 176.93 2ra6 s SER 103 N -0.74 -0.13 0.10 -0.19 0.15 -1.26 -1.20 113.70 110.43 2ra6 s SER 103 Ca -0.08 0.19 0.25 0.00 0.70 0.00 0.00 55.95 57.00 2ra6 s SER 103 Cb -0.04 1.09 0.42 0.00 -1.71 0.00 0.00 66.02 65.78 2ra6 s SER 103 CO 0.02 -0.03 1.37 -1.54 1.20 0.00 0.00 173.24 174.27 2ra6 n SER 104 N 3.75 0.65 -3.33 5.45 3.41 -1.26 -4.33 113.62 117.95 2ra6 n SER 104 Ca -0.13 0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 58.32 2ra6 n SER 104 Cb 0.56 0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 2ra6 n SER 104 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ra6 n LYS 105 N -2.01 0.43 0.08 4.33 5.02 -1.26 -5.01 118.16 119.74 2ra6 n LYS 105 Ca 0.04 -3.24 0.20 0.00 -2.02 0.00 0.00 58.31 53.29 2ra6 n LYS 105 Cb 0.42 -1.54 0.66 0.00 -0.02 0.00 0.00 35.03 34.55 2ra6 n LYS 105 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2ra6 h PRO 106 N 5.05 0.00 0.00 1.97 0.13 -1.76 0.77 132.00 138.17 2ra6 h PRO 106 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2ra6 h PRO 106 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2ra6 h PRO 106 CO 0.42 0.00 -0.84 0.09 -0.23 0.00 0.00 178.00 177.44 2ra6 n ASN 107 N -3.42 0.63 -0.10 1.44 3.02 -1.26 -4.37 115.26 111.20 2ra6 n ASN 107 Ca 0.09 -0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.29 2ra6 n ASN 107 Cb 0.80 0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 40.43 2ra6 n ASN 107 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ra6 n GLU 108 N -1.85 0.72 -3.87 3.52 1.02 0.16 -4.84 120.64 115.49 2ra6 n GLU 108 Ca 0.03 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 2ra6 n GLU 108 Cb 0.41 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2ra6 n GLU 108 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ra6 s TYR 109 N -2.43 0.11 -0.02 -0.32 -0.85 -0.57 -3.50 117.35 109.77 2ra6 s TYR 109 Ca -0.24 -0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 55.82 2ra6 s TYR 109 Cb 0.07 0.29 0.01 0.00 0.38 0.00 0.00 41.96 42.71 2ra6 s TYR 109 CO 0.55 -0.95 0.04 0.00 -1.52 0.00 0.00 175.55 173.67 2ra6 s ALA 110 N -3.94 -0.06 -0.13 9.51 0.00 -0.45 -4.22 121.76 122.48 2ra6 s ALA 110 Ca 0.15 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2ra6 s ALA 110 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2ra6 s ALA 110 CO 0.03 -0.04 -0.20 0.21 0.00 0.00 0.00 175.76 175.75 2ra6 s LYS 111 N 0.32 3.10 -0.12 0.00 2.20 -0.34 -0.17 119.74 124.72 2ra6 s LYS 111 Ca -0.02 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2ra6 s LYS 111 Cb -0.04 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2ra6 s LYS 111 CO -0.01 0.07 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.81 2ra6 s PHE 112 N 0.64 2.25 -0.20 4.03 0.40 -0.31 -0.91 117.98 123.86 2ra6 s PHE 112 Ca -0.10 -1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 55.05 2ra6 s PHE 112 Cb -0.16 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2ra6 s PHE 112 CO 0.02 -0.55 0.02 0.42 0.70 0.00 0.00 175.22 175.84 2ra6 s ILE 113 N 0.99 4.19 -0.18 0.64 -1.09 0.01 -0.34 121.20 125.42 2ra6 s ILE 113 Ca -0.05 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.09 2ra6 s ILE 113 Cb -0.15 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 2ra6 s ILE 113 CO -0.03 0.42 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.71 2ra6 s PHE 114 N 0.97 3.01 -0.41 3.97 2.99 0.14 -0.64 117.98 128.02 2ra6 s PHE 114 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 56.93 56.43 2ra6 s PHE 114 Cb -0.14 -2.02 0.07 0.00 0.00 0.00 0.00 43.02 40.93 2ra6 s PHE 114 CO 0.02 -0.17 0.24 0.71 -0.00 0.00 0.00 175.22 176.02 2ra6 s TYR 115 N 0.72 3.33 -0.10 0.36 1.51 -0.19 -0.70 117.35 122.27 2ra6 s TYR 115 Ca -0.01 -1.48 -0.13 0.00 -1.01 0.00 0.00 57.07 54.44 2ra6 s TYR 115 Cb -0.14 -2.85 -0.05 0.00 -0.11 0.00 0.00 41.96 38.81 2ra6 s TYR 115 CO 0.02 -0.82 0.32 1.21 -1.11 0.00 0.00 175.55 175.17 2ra6 s ASN 116 N 1.99 6.57 -0.28 2.29 3.84 0.44 -1.48 114.94 128.31 2ra6 s ASN 116 Ca 0.03 0.67 0.01 0.00 0.21 0.00 0.00 52.86 53.78 2ra6 s ASN 116 Cb -0.22 -2.19 0.06 0.00 -0.55 0.00 0.00 41.25 38.34 2ra6 s ASN 116 CO 0.02 0.21 -0.06 -0.31 -2.79 0.00 0.00 177.10 174.18 2ra6 s TYR 117 N -0.26 3.29 -0.10 0.43 1.51 -0.07 -1.31 117.35 120.85 2ra6 s TYR 117 Ca 0.19 -2.22 -0.01 0.00 -1.01 0.00 0.00 57.07 54.03 2ra6 s TYR 117 Cb -0.14 -2.05 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2ra6 s TYR 117 CO 0.07 -0.86 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.04 2ra6 s HIS 118 N 1.14 1.11 -1.49 2.71 2.46 -0.15 -2.11 115.29 118.96 2ra6 s HIS 118 Ca -0.07 -0.50 -0.12 0.00 0.47 0.00 0.00 55.06 54.84 2ra6 s HIS 118 Cb -0.20 -1.04 0.07 0.00 -0.13 0.00 0.00 32.58 31.28 2ra6 s HIS 118 CO -0.04 -0.44 0.97 -0.25 -2.47 0.00 0.00 174.74 172.52 2ra6 n ASP 119 N 5.04 -5.13 0.00 9.88 10.43 -1.26 -0.89 116.55 134.62 2ra6 n ASP 119 Ca -0.10 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.57 2ra6 n ASP 119 Cb 0.50 -4.09 0.00 0.00 1.84 0.00 0.00 41.12 39.37 2ra6 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ra6 n GLY 120 N -1.71 0.71 3.69 0.44 0.00 -1.26 -5.01 105.19 102.05 2ra6 n GLY 120 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2ra6 n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ra6 s LYS 121 N -0.21 3.61 -0.12 1.61 2.20 -0.06 -5.10 119.74 121.67 2ra6 s LYS 121 Ca 0.00 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 2ra6 s LYS 121 Cb 0.00 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 2ra6 s LYS 121 CO 0.00 0.49 0.03 0.08 -0.36 0.00 0.00 175.35 175.58 2ra6 s VAL 122 N -0.23 4.52 0.04 4.02 1.01 -1.26 -0.97 120.40 127.53 2ra6 s VAL 122 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2ra6 s VAL 122 Cb -0.12 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2ra6 s VAL 122 CO 0.01 0.57 0.04 0.20 0.00 0.00 0.00 175.10 175.92 2ra6 s ASN 123 N -0.51 0.29 -0.09 3.32 -0.87 -0.42 -4.99 114.94 111.67 2ra6 s ASN 123 Ca 0.09 -0.70 0.01 0.00 -1.57 0.00 0.00 52.86 50.70 2ra6 s ASN 123 Cb -0.12 0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 41.29 2ra6 s ASN 123 CO 0.02 -0.52 -0.13 0.54 -2.57 0.00 0.00 177.10 174.44 2ra6 s VAL 124 N -2.97 3.10 -0.11 1.60 0.11 -1.26 -0.42 120.40 120.46 2ra6 s VAL 124 Ca -0.02 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2ra6 s VAL 124 Cb 0.01 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.61 2ra6 s VAL 124 CO -0.06 0.56 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.46 2ra6 s VAL 125 N -0.16 1.24 -0.11 2.04 1.01 0.12 -1.81 120.40 122.73 2ra6 s VAL 125 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2ra6 s VAL 125 Cb -0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2ra6 s VAL 125 CO 0.03 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 2ra6 s ALA 126 N 1.31 3.08 -0.07 5.51 0.00 0.71 0.28 121.76 132.58 2ra6 s ALA 126 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2ra6 s ALA 126 Cb -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2ra6 s ALA 126 CO -0.05 0.44 -0.19 -0.80 0.00 0.00 0.00 175.76 175.16 2ra6 s ASN 127 N -0.38 2.47 -0.23 0.00 0.01 0.54 -1.43 114.94 115.93 2ra6 s ASN 127 Ca 0.06 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2ra6 s ASN 127 Cb -0.12 -1.02 0.02 0.00 0.41 0.00 0.00 41.25 40.53 2ra6 s ASN 127 CO 0.02 0.12 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.43 2ra6 s LEU 128 N 0.36 2.89 -0.04 0.60 2.96 -0.12 -1.17 118.68 124.16 2ra6 s LEU 128 Ca -0.14 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.07 2ra6 s LEU 128 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2ra6 s LEU 128 CO 0.06 -0.07 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.62 2ra6 s PHE 129 N 1.35 3.03 0.30 5.38 2.99 0.76 -0.86 117.98 130.94 2ra6 s PHE 129 Ca 0.03 0.08 0.07 0.00 0.00 0.00 0.00 56.93 57.10 2ra6 s PHE 129 Cb -0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 43.02 41.10 2ra6 s PHE 129 CO -0.06 0.42 -0.06 0.20 -0.00 0.00 0.00 175.22 175.72 2ra6 s GLY 130 N -1.15 1.94 0.41 4.36 0.00 -0.09 -1.34 107.32 111.45 2ra6 s GLY 130 Ca 0.16 -1.96 0.22 0.00 0.00 0.00 0.00 44.72 43.13 2ra6 s GLY 130 CO 0.05 -1.89 1.75 3.21 0.00 0.00 0.00 173.10 176.22 2ra6 h ARG 131 N 2.20 0.00 -5.14 2.90 2.47 -1.81 0.49 114.38 115.49 2ra6 h ARG 131 Ca -0.41 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.74 2ra6 h ARG 131 Cb 1.24 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.43 2ra6 h ARG 131 CO 0.68 0.27 -0.54 0.95 0.56 0.00 0.00 179.97 181.90 2ra6 s THR 132 N -3.52 0.90 0.61 2.04 -4.23 -1.26 -4.68 115.64 105.49 2ra6 s THR 132 Ca 0.01 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.87 2ra6 s THR 132 Cb 0.10 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.87 2ra6 s THR 132 CO 0.66 0.00 2.07 -0.65 -0.54 0.00 0.00 174.62 176.16 2ra6 h PRO 133 N 1.75 0.00 -4.93 3.99 0.11 -1.93 -3.42 132.00 127.58 2ra6 h PRO 133 Ca -0.39 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.37 2ra6 h PRO 133 Cb 1.28 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 2ra6 h PRO 133 CO 0.64 0.00 -0.63 1.21 -0.21 0.00 0.00 178.00 179.01 2ra6 s ASN 134 N -4.67 1.39 0.10 -2.05 3.84 -1.26 -4.40 114.94 107.88 2ra6 s ASN 134 Ca -0.04 -1.32 0.02 0.00 0.21 0.00 0.00 52.86 51.73 2ra6 s ASN 134 Cb 0.10 0.11 -0.04 0.00 -0.55 0.00 0.00 41.25 40.87 2ra6 s ASN 134 CO 0.32 -0.66 -0.07 -0.76 -2.79 0.00 0.00 177.10 173.13 2ra6 s LEU 135 N -3.30 2.48 0.52 3.21 1.43 -1.26 -4.75 118.68 117.00 2ra6 s LEU 135 Ca 0.34 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 2ra6 s LEU 135 Cb 0.07 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 2ra6 s LEU 135 CO 0.11 -0.41 1.00 -1.54 0.23 0.00 0.00 176.35 175.75 2ra6 n SER 136 N 0.15 1.10 0.10 2.29 3.41 -1.26 -4.76 113.62 114.65 2ra6 n SER 136 Ca -0.13 0.91 0.05 0.00 -0.26 0.00 0.00 58.87 59.44 2ra6 n SER 136 Cb 0.60 -1.39 0.51 0.00 -0.26 0.00 0.00 64.21 63.67 2ra6 n SER 136 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2ra6 h ASN 137 N 1.02 0.30 -0.50 4.04 2.35 -2.00 -1.46 115.58 119.33 2ra6 h ASN 137 Ca -0.47 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.21 2ra6 h ASN 137 Cb 1.35 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 2ra6 h ASN 137 CO 0.54 0.21 0.07 -0.08 -1.65 0.00 0.00 177.43 176.52 2ra6 h GLU 138 N 0.35 0.83 -0.26 0.81 4.81 -1.99 0.17 114.58 119.29 2ra6 h GLU 138 Ca 0.09 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2ra6 h GLU 138 Cb -0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2ra6 h GLU 138 CO -0.02 0.83 -0.12 0.82 -0.73 0.00 0.00 179.01 179.79 2ra6 h ILE 139 N 0.70 1.30 -0.59 2.32 2.04 -1.74 -2.33 117.51 119.20 2ra6 h ILE 139 Ca 0.15 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 2ra6 h ILE 139 Cb 0.41 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2ra6 h ILE 139 CO 0.01 0.38 0.15 0.11 0.00 0.00 0.00 178.15 178.79 2ra6 h LYS 140 N 0.28 0.95 -0.42 2.37 1.57 -1.18 -2.12 116.57 118.01 2ra6 h LYS 140 Ca 0.06 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2ra6 h LYS 140 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2ra6 h LYS 140 CO 0.04 0.87 0.28 -0.22 -0.57 0.00 0.00 179.45 179.85 2ra6 h LYS 141 N 0.86 0.55 -0.40 3.15 3.64 -0.62 0.02 116.57 123.77 2ra6 h LYS 141 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2ra6 h LYS 141 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2ra6 h LYS 141 CO 0.00 0.36 0.22 -0.09 -2.27 0.00 0.00 179.45 177.68 2ra6 h ARG 142 N 0.56 0.55 -0.30 1.90 2.43 -1.29 0.11 114.38 118.33 2ra6 h ARG 142 Ca 0.15 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2ra6 h ARG 142 Cb -0.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2ra6 h ARG 142 CO -0.03 0.44 0.19 0.35 -1.51 0.00 0.00 179.97 179.40 2ra6 h PHE 143 N 0.51 0.36 -0.38 2.20 3.57 -1.10 -0.68 116.94 121.41 2ra6 h PHE 143 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2ra6 h PHE 143 Cb 0.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2ra6 h PHE 143 CO -0.03 0.22 -0.03 0.93 -2.23 0.00 0.00 178.31 177.18 2ra6 h GLU 144 N 0.39 0.70 -0.23 1.11 5.08 -0.77 -2.37 114.58 118.48 2ra6 h GLU 144 Ca 0.12 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2ra6 h GLU 144 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ra6 h GLU 144 CO -0.04 0.81 -0.28 0.93 -1.00 0.00 0.00 179.01 179.43 2ra6 h GLU 145 N 0.51 0.46 -0.38 2.33 5.08 -0.65 -1.04 114.58 120.89 2ra6 h GLU 145 Ca 0.11 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2ra6 h GLU 145 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ra6 h GLU 145 CO 0.02 0.70 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.23 2ra6 h ASP 146 N 0.40 0.62 0.06 1.42 3.32 -1.01 0.14 116.42 121.38 2ra6 h ASP 146 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2ra6 h ASP 146 Cb 0.70 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2ra6 h ASP 146 CO 0.05 0.73 -0.03 0.15 -1.72 0.00 0.00 179.24 178.43 2ra6 h PHE 147 N 0.60 -0.08 -0.37 4.55 3.57 -1.01 -3.23 116.94 120.98 2ra6 h PHE 147 Ca 0.11 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2ra6 h PHE 147 Cb 0.47 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2ra6 h PHE 147 CO 0.02 0.38 0.06 0.52 -2.23 0.00 0.00 178.31 177.07 2ra6 h MET 148 N -0.57 0.55 0.00 1.11 2.86 -1.04 -2.35 114.93 115.49 2ra6 h MET 148 Ca -0.01 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2ra6 h MET 148 Cb 0.49 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2ra6 h MET 148 CO 0.01 0.53 0.00 -0.91 1.06 0.00 0.00 176.91 177.60 2ra6 h ASN 149 N 0.54 0.00 0.43 1.22 -0.26 -0.73 -0.07 115.58 116.70 2ra6 h ASN 149 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2ra6 h ASN 149 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 2ra6 h ASN 149 CO 0.00 0.00 -0.07 0.54 -1.06 0.00 0.00 177.43 176.84 2ra6 n ARG 150 N -2.95 0.59 0.00 0.81 1.74 -0.88 -4.88 116.66 111.08 2ra6 n ARG 150 Ca -0.02 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2ra6 n ARG 150 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2ra6 n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ra6 n GLY 151 N 1.28 1.73 3.37 -0.13 0.00 -0.06 -5.14 105.19 106.24 2ra6 n GLY 151 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2ra6 n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ra6 s PHE 152 N -2.00 2.15 0.50 1.61 0.40 -1.08 -5.07 117.98 114.49 2ra6 s PHE 152 Ca 0.00 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 2ra6 s PHE 152 Cb 0.00 -1.13 -0.08 0.00 0.51 0.00 0.00 43.02 42.32 2ra6 s PHE 152 CO 0.00 0.36 0.99 1.03 0.70 0.00 0.00 175.22 178.30 2ra6 s ARG 153 N -2.27 3.93 0.51 0.44 0.52 -1.26 -4.41 118.95 116.40 2ra6 s ARG 153 Ca 0.14 1.09 0.16 0.00 -0.52 0.00 0.00 55.73 56.61 2ra6 s ARG 153 Cb -0.09 -2.13 1.23 0.00 0.52 0.00 0.00 34.95 34.48 2ra6 s ARG 153 CO 0.07 -0.29 2.11 -0.09 0.02 0.00 0.00 175.30 177.11 2ra6 h ARG 154 N 1.22 0.08 0.00 3.54 2.43 -1.97 -1.58 114.38 118.10 2ra6 h ARG 154 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2ra6 h ARG 154 Cb 1.19 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2ra6 h ARG 154 CO 0.60 0.05 0.00 1.05 -1.51 0.00 0.00 179.97 180.17 2ra6 h GLU 155 N 0.08 0.00 -0.20 0.20 9.09 -2.01 -1.74 114.58 120.00 2ra6 h GLU 155 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 2ra6 h GLU 155 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2ra6 h GLU 155 CO -0.01 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.14 2ra6 n ASN 156 N -3.00 1.06 -4.40 3.06 4.13 -0.60 -4.73 115.26 110.78 2ra6 n ASN 156 Ca -0.02 -2.00 -0.33 0.00 1.68 0.00 0.00 54.58 53.91 2ra6 n ASN 156 Cb 0.12 -0.13 -0.14 0.00 -1.54 0.00 0.00 39.78 38.09 2ra6 n ASN 156 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2ra6 s ILE 157 N -1.73 3.30 -0.25 2.41 1.01 -0.66 -2.06 121.20 123.22 2ra6 s ILE 157 Ca 0.13 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2ra6 s ILE 157 Cb 0.07 -2.41 0.06 0.00 0.01 0.00 0.00 42.46 40.19 2ra6 s ILE 157 CO 0.09 0.51 -0.09 -0.76 0.00 0.00 0.00 174.94 174.69 2ra6 s LEU 158 N 0.41 3.08 -0.56 2.97 1.43 0.65 -5.01 118.68 121.65 2ra6 s LEU 158 Ca -0.08 -1.30 -0.27 0.00 -1.03 0.00 0.00 54.13 51.45 2ra6 s LEU 158 Cb -0.15 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2ra6 s LEU 158 CO 0.04 -0.21 1.09 -0.62 0.23 0.00 0.00 176.35 176.89 2ra6 s ASP 159 N 1.22 6.43 0.40 2.29 -1.08 -1.26 -1.45 116.67 123.22 2ra6 s ASP 159 Ca -0.08 -0.02 0.21 0.00 -0.52 0.00 0.00 52.55 52.15 2ra6 s ASP 159 Cb -0.19 -2.51 0.65 0.00 -1.46 0.00 0.00 42.92 39.40 2ra6 s ASP 159 CO -0.06 -1.36 1.71 0.40 0.52 0.00 0.00 175.17 176.38 2ra6 h ILE 160 N 6.11 0.60 -0.54 4.11 1.08 -0.86 -3.28 117.51 124.73 2ra6 h ILE 160 Ca -0.25 -1.41 0.12 0.00 -0.39 0.00 0.00 64.86 62.93 2ra6 h ILE 160 Cb 1.06 1.96 -0.03 0.00 -3.07 0.00 0.00 36.82 36.74 2ra6 h ILE 160 CO 1.14 0.28 0.37 0.77 -0.69 0.00 0.00 178.15 180.02 2ra6 h SER 161 N 0.00 0.20 -0.82 1.72 4.64 -1.71 -1.35 113.55 116.24 2ra6 h SER 161 Ca -0.00 0.01 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 2ra6 h SER 161 Cb 0.94 -0.04 -0.25 0.00 -0.31 0.00 0.00 62.40 62.74 2ra6 h SER 161 CO 0.04 0.12 0.54 -1.84 -0.87 0.00 0.00 176.83 174.81 2ra6 n GLU 162 N -4.44 2.02 -3.95 4.77 0.28 -1.24 -4.91 120.64 113.17 2ra6 n GLU 162 Ca 0.09 -2.46 -0.10 0.00 -0.16 0.00 0.00 57.16 54.53 2ra6 n GLU 162 Cb 0.45 -1.96 -0.12 0.00 1.43 0.00 0.00 31.44 31.24 2ra6 n GLU 162 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2ra6 s VAL 163 N -2.69 0.10 -0.57 3.84 1.01 -0.51 -5.10 120.40 116.47 2ra6 s VAL 163 Ca 0.46 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 2ra6 s VAL 163 Cb 0.39 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.62 2ra6 s VAL 163 CO 0.09 -0.30 1.06 -0.62 0.00 0.00 0.00 175.10 175.33 2ra6 s ASP 164 N -0.90 6.38 0.39 3.32 -1.08 -1.26 -4.98 116.67 118.53 2ra6 s ASP 164 Ca -0.09 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.81 2ra6 s ASP 164 Cb -0.06 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 2ra6 s ASP 164 CO -0.01 -1.36 0.16 -1.38 0.52 0.00 0.00 175.17 173.10 2ra6 s HIS 165 N 4.45 1.77 -2.00 -5.34 -3.43 -1.26 -5.22 115.29 104.25 2ra6 s HIS 165 Ca 0.36 -1.35 0.03 0.00 -0.80 0.00 0.00 55.06 53.30 2ra6 s HIS 165 Cb -0.10 -1.07 0.20 0.00 -1.43 0.00 0.00 32.58 30.18 2ra6 s HIS 165 CO 0.22 -0.41 0.68 0.00 -2.00 0.00 0.00 174.74 173.23