#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2a s GLU 3 N 0.00 1.32 -0.20 0.00 -1.05 -1.26 -4.85 118.70 112.66 2r2a s GLU 3 Ca 0.00 -1.57 -0.04 0.00 -0.15 0.00 0.00 54.97 53.20 2r2a s GLU 3 Cb 0.00 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 2r2a s GLU 3 CO 0.00 -0.47 -0.02 0.42 0.95 0.00 0.00 175.26 176.14 2r2a s ILE 4 N -4.07 3.73 -0.10 1.83 1.01 -1.26 -1.60 121.20 120.74 2r2a s ILE 4 Ca 0.35 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.64 2r2a s ILE 4 Cb 0.05 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2r2a s ILE 4 CO 0.12 0.44 -0.17 0.00 0.00 0.00 0.00 174.94 175.33 2r2a s LEU 6 N 0.10 3.34 -0.12 0.00 2.96 0.43 -0.73 118.68 124.66 2r2a s LEU 6 Ca -0.08 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2r2a s LEU 6 Cb -0.15 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2r2a s LEU 6 CO 0.05 0.23 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.50 2r2a s ILE 7 N -0.00 1.74 0.25 6.68 1.01 0.07 -0.14 121.20 130.81 2r2a s ILE 7 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.91 2r2a s ILE 7 Cb -0.13 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2r2a s ILE 7 CO 0.02 0.49 -0.00 0.42 0.00 0.00 0.00 174.94 175.87 2r2a s THR 8 N 0.87 1.12 0.00 2.92 -4.23 -0.04 -1.52 115.64 114.76 2r2a s THR 8 Ca -0.08 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2r2a s THR 8 Cb -0.15 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2r2a s THR 8 CO -0.01 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 2r2a n GLY 9 N -0.47 3.99 3.73 3.99 0.00 -1.17 -1.42 105.19 113.82 2r2a n GLY 9 Ca -0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2r2a n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r2a s THR 10 N -2.00 2.79 0.28 2.61 -4.23 -1.26 -4.19 115.64 109.64 2r2a s THR 10 Ca 0.00 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 2r2a s THR 10 Cb 0.00 -2.55 -0.13 0.00 1.34 0.00 0.00 72.50 71.16 2r2a s THR 10 CO 0.00 -0.33 1.38 -2.65 -0.54 0.00 0.00 174.62 172.48 2r2a n PRO 11 N -3.84 2.12 -0.84 3.99 -0.02 -1.26 -1.58 135.00 133.58 2r2a n PRO 11 Ca 0.10 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2r2a n PRO 11 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2r2a n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2a n GLY 12 N 1.68 0.92 0.22 -1.23 0.00 -1.26 -4.92 105.19 100.60 2r2a n GLY 12 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2r2a n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r2a h SER 13 N 0.00 0.00 0.00 1.61 4.64 -1.64 -3.47 113.55 114.69 2r2a h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r2a h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2r2a h SER 13 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2r2a n GLY 14 N 0.45 1.70 0.12 -0.77 0.00 -1.26 -5.00 105.19 100.43 2r2a n GLY 14 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2r2a n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r2a h LYS 15 N 0.00 0.31 -0.49 1.61 1.57 -1.91 -1.39 116.57 116.26 2r2a h LYS 15 Ca 0.00 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2r2a h LYS 15 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2r2a h LYS 15 CO 0.00 0.67 0.12 1.15 -0.57 0.00 0.00 179.45 180.82 2r2a h THR 16 N -0.05 1.24 -0.59 -0.16 2.02 -2.00 -2.89 112.91 110.48 2r2a h THR 16 Ca 0.03 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 2r2a h THR 16 Cb 0.60 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2r2a h THR 16 CO 0.03 0.31 0.09 -0.07 0.37 0.00 0.00 175.52 176.24 2r2a h LEU 17 N 0.68 0.90 -1.47 2.58 3.38 -1.98 -0.31 115.31 119.09 2r2a h LEU 17 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2r2a h LEU 17 Cb 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2r2a h LEU 17 CO 0.00 0.91 0.00 1.17 0.09 0.00 0.00 178.44 180.61 2r2a n LYS 18 N -4.23 0.00 0.00 1.13 3.00 -0.53 -0.86 118.16 116.68 2r2a n LYS 18 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2r2a n LYS 18 Cb 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2r2a n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2r2a n VAL 20 N 0.71 0.00 -0.93 3.15 0.31 -0.13 -5.02 118.33 116.43 2r2a n VAL 20 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 2r2a n VAL 20 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2r2a n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2r2a n SER 21 N 0.00 1.01 0.00 4.52 7.64 -0.04 -4.69 113.62 122.06 2r2a n SER 21 Ca 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2r2a n SER 21 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2r2a n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r2a n ALA 24 N 12.93 0.00 0.00 -0.43 0.00 -1.26 -4.58 120.51 127.17 2r2a n ALA 24 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2r2a n ALA 24 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2r2a n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2r2a n ASN 25 N 0.00 3.37 -4.78 0.00 3.02 -1.26 -5.09 115.26 110.52 2r2a n ASN 25 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2r2a n ASN 25 Cb 0.00 0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 2r2a n ASN 25 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2r2a s ASP 26 N -2.84 6.94 0.00 6.41 1.11 -1.26 -5.01 116.67 122.02 2r2a s ASP 26 Ca 0.00 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.75 2r2a s ASP 26 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2r2a s ASP 26 CO 0.00 -0.36 0.00 -0.62 1.18 0.00 0.00 175.17 175.37 2r2a n GLU 27 N 0.20 0.00 0.00 8.23 -0.58 -1.26 -3.88 120.64 123.34 2r2a n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2r2a n GLU 27 Cb 0.49 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2r2a n GLU 27 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2r2a n PHE 29 N 1.41 0.00 -2.29 -0.32 3.01 -1.26 -4.85 117.46 113.15 2r2a n PHE 29 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 2r2a n PHE 29 Cb 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 2r2a n PHE 29 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2r2a s LYS 30 N 0.00 3.74 0.50 -1.08 1.02 -1.25 -4.77 119.74 117.90 2r2a s LYS 30 Ca 0.00 0.71 -0.21 0.00 0.02 0.00 0.00 55.97 56.49 2r2a s LYS 30 Cb 0.00 -2.18 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 2r2a s LYS 30 CO 0.00 -0.34 1.13 -1.25 -0.92 0.00 0.00 175.35 173.97 2r2a s PRO 31 N -4.55 3.57 0.00 -1.68 0.04 -1.26 -4.56 135.00 126.57 2r2a s PRO 31 Ca 0.55 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2r2a s PRO 31 Cb -0.10 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2r2a s PRO 31 CO 0.42 -0.67 0.00 -0.40 0.04 0.00 0.00 177.00 176.38 2r2a n ASP 32 N -0.92 -0.06 0.09 6.66 5.68 0.67 -4.81 116.55 123.86 2r2a n ASP 32 Ca 0.10 -0.62 0.09 0.00 -0.50 0.00 0.00 54.79 53.86 2r2a n ASP 32 Cb 0.50 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.88 2r2a n ASP 32 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2r2a n GLU 33 N -0.68 0.11 -0.19 0.11 0.28 -1.26 -1.82 120.64 117.19 2r2a n GLU 33 Ca 0.00 0.43 0.07 0.00 -0.16 0.00 0.00 57.16 57.50 2r2a n GLU 33 Cb 0.00 -1.75 0.17 0.00 1.43 0.00 0.00 31.44 31.29 2r2a n GLU 33 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2r2a n ASN 34 N -1.97 3.01 0.00 -1.84 3.02 -1.26 -4.97 115.26 111.26 2r2a n ASN 34 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2r2a n ASN 34 Cb 0.15 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2r2a n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r2a n GLY 35 N 0.75 0.51 3.59 7.41 0.00 -0.76 -5.02 105.19 111.67 2r2a n GLY 35 Ca 0.13 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2r2a n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2a s ILE 36 N -2.00 4.97 0.29 -0.61 -1.09 -1.26 -4.72 121.20 116.78 2r2a s ILE 36 Ca 0.00 0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.31 2r2a s ILE 36 Cb 0.00 -3.31 -0.09 0.00 -1.58 0.00 0.00 42.46 37.48 2r2a s ILE 36 CO 0.00 0.35 0.71 -0.13 -1.23 0.00 0.00 174.94 174.64 2r2a s ARG 37 N 1.17 4.01 0.33 2.79 0.52 -1.26 -0.24 118.95 126.27 2r2a s ARG 37 Ca 0.06 0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 55.63 2r2a s ARG 37 Cb -0.14 -2.53 -0.11 0.00 0.52 0.00 0.00 34.95 32.69 2r2a s ARG 37 CO 0.05 0.22 1.43 1.03 0.02 0.00 0.00 175.30 178.04 2r2a s ARG 38 N -2.80 4.22 0.29 3.54 0.52 -1.26 -4.93 118.95 118.52 2r2a s ARG 38 Ca 0.51 2.41 -0.30 0.00 -0.52 0.00 0.00 55.73 57.84 2r2a s ARG 38 Cb -0.11 -3.03 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 2r2a s ARG 38 CO 0.18 -0.41 1.49 0.21 0.02 0.00 0.00 175.30 176.79 2r2a s LYS 39 N -1.50 4.20 -0.18 3.54 2.20 -1.26 -4.82 119.74 121.92 2r2a s LYS 39 Ca 0.54 2.43 -0.03 0.00 -0.36 0.00 0.00 55.97 58.56 2r2a s LYS 39 Cb -0.44 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2r2a s LYS 39 CO 0.54 -0.49 -0.07 0.08 -0.36 0.00 0.00 175.35 175.06 2r2a s VAL 40 N -0.29 3.37 -0.17 4.02 1.01 -1.26 -0.68 120.40 126.39 2r2a s VAL 40 Ca 0.59 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2r2a s VAL 40 Cb -0.44 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2r2a s VAL 40 CO 0.49 0.47 0.02 -0.36 0.00 0.00 0.00 175.10 175.72 2r2a s PHE 41 N 0.93 3.16 0.16 5.22 0.40 0.26 0.15 117.98 128.25 2r2a s PHE 41 Ca -0.01 -0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 2r2a s PHE 41 Cb -0.15 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.40 2r2a s PHE 41 CO 0.00 0.08 0.51 -0.08 0.70 0.00 0.00 175.22 176.43 2r2a s THR 42 N 0.36 0.03 -1.73 0.64 -1.32 -0.32 -0.65 115.64 112.65 2r2a s THR 42 Ca 0.00 -0.50 0.16 0.00 -1.21 0.00 0.00 61.69 60.14 2r2a s THR 42 Cb -0.13 -1.29 0.24 0.00 -1.51 0.00 0.00 72.50 69.81 2r2a s THR 42 CO 0.01 -0.15 1.13 -0.46 -2.21 0.00 0.00 174.62 172.94 2r2a n ASN 43 N -0.31 2.68 -4.69 8.08 6.94 -1.21 -1.13 115.26 125.62 2r2a n ASN 43 Ca -0.14 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.22 2r2a n ASN 43 Cb 0.64 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.91 2r2a n ASN 43 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2r2a s ILE 44 N -1.20 3.39 0.15 1.53 1.01 -1.26 -4.92 121.20 119.90 2r2a s ILE 44 Ca 0.24 0.84 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 2r2a s ILE 44 Cb 0.15 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 2r2a s ILE 44 CO 0.21 0.01 0.54 -0.54 0.00 0.00 0.00 174.94 175.15 2r2a s LYS 45 N 2.32 3.95 0.00 2.79 -0.14 -1.26 -4.06 119.74 123.34 2r2a s LYS 45 Ca 0.68 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.74 2r2a s LYS 45 Cb -0.35 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2r2a s LYS 45 CO 0.29 0.47 0.00 0.41 -0.76 0.00 0.00 175.35 175.77 2r2a n GLY 46 N 0.75 0.69 3.68 -3.33 0.00 -1.26 -4.80 105.19 100.91 2r2a n GLY 46 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2r2a n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r2a s LEU 47 N 0.00 4.20 0.18 0.99 2.96 -1.26 -1.36 118.68 124.39 2r2a s LEU 47 Ca 0.00 1.51 0.20 0.00 -0.22 0.00 0.00 54.13 55.62 2r2a s LEU 47 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2r2a s LEU 47 CO 0.00 -0.55 1.03 0.11 -1.32 0.00 0.00 176.35 175.62 2r2a h LYS 48 N 7.30 0.00 -6.58 1.98 1.57 -1.14 -3.46 116.57 116.24 2r2a h LYS 48 Ca -0.27 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.98 2r2a h LYS 48 Cb 1.12 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.46 2r2a h LYS 48 CO 0.90 0.13 0.85 0.42 -0.57 0.00 0.00 179.45 181.18 2r2a s ILE 49 N -3.18 2.83 0.24 1.86 1.01 -1.25 -4.91 121.20 117.80 2r2a s ILE 49 Ca -0.01 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.92 2r2a s ILE 49 Cb 0.09 -3.37 -0.14 0.00 0.01 0.00 0.00 42.46 39.05 2r2a s ILE 49 CO 0.79 0.04 1.30 -2.65 0.00 0.00 0.00 174.94 174.41 2r2a n PRO 50 N 4.08 1.79 -3.82 2.79 -0.02 -1.26 -4.97 135.00 133.60 2r2a n PRO 50 Ca 0.13 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2r2a n PRO 50 Cb 0.40 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 2r2a n PRO 50 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2r2a s HIS 51 N -0.34 -0.21 -0.19 6.00 -3.43 -1.26 -4.66 115.29 111.21 2r2a s HIS 51 Ca 0.66 -0.22 -0.06 0.00 -0.80 0.00 0.00 55.06 54.65 2r2a s HIS 51 Cb -0.69 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2r2a s HIS 51 CO 0.53 -1.16 0.02 0.99 -2.00 0.00 0.00 174.74 173.12 2r2a s THR 52 N -3.83 4.26 0.20 -5.38 2.01 0.12 -5.00 115.64 108.02 2r2a s THR 52 Ca 0.10 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2r2a s THR 52 Cb -0.05 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 2r2a s THR 52 CO 0.05 0.45 1.33 -0.47 -0.69 0.00 0.00 174.62 175.28 2r2a s TYR 53 N 0.68 3.23 -0.07 4.92 6.14 -1.26 -1.17 117.35 129.82 2r2a s TYR 53 Ca 0.01 1.19 0.05 0.00 0.64 0.00 0.00 57.07 58.95 2r2a s TYR 53 Cb -0.14 -3.63 -0.01 0.00 0.42 0.00 0.00 41.96 38.60 2r2a s TYR 53 CO 0.02 -1.98 -0.22 0.96 0.64 0.00 0.00 175.55 174.97 2r2a s ILE 54 N 0.15 2.36 -0.21 3.14 -4.36 -0.28 -4.48 121.20 117.51 2r2a s ILE 54 Ca 0.57 -0.95 -0.26 0.00 -0.26 0.00 0.00 60.65 59.76 2r2a s ILE 54 Cb -0.37 -1.89 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 2r2a s ILE 54 CO 0.38 0.57 0.86 -0.70 0.24 0.00 0.00 174.94 176.29 2r2a s GLU 55 N -0.14 4.23 0.00 0.37 2.56 -0.40 -4.22 118.70 121.11 2r2a s GLU 55 Ca -0.04 1.03 0.20 0.00 0.00 0.00 0.00 54.97 56.17 2r2a s GLU 55 Cb -0.14 -3.62 -0.19 0.00 2.00 0.00 0.00 34.13 32.18 2r2a s GLU 55 CO 0.04 -0.47 0.88 0.25 -0.56 0.00 0.00 175.26 175.40 2r2a n THR 56 N 5.09 0.00 -2.95 -1.70 -2.24 -1.26 0.61 114.28 111.82 2r2a n THR 56 Ca 0.06 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2r2a n THR 56 Cb 0.48 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2r2a n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r2a s ASP 57 N -2.82 6.34 0.61 3.42 -1.08 -1.26 -4.59 116.67 117.29 2r2a s ASP 57 Ca 0.09 -0.38 0.38 0.00 -0.52 0.00 0.00 52.55 52.12 2r2a s ASP 57 Cb 0.15 -2.39 1.97 0.00 -1.46 0.00 0.00 42.92 41.20 2r2a s ASP 57 CO 0.78 -1.04 2.23 0.00 0.52 0.00 0.00 175.17 177.66 2r2a h ALA 58 N 9.12 1.10 -0.00 3.66 0.00 -1.87 -0.76 119.26 130.51 2r2a h ALA 58 Ca -0.26 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2r2a h ALA 58 Cb 1.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2r2a h ALA 58 CO 1.01 0.03 -0.83 -0.22 0.00 0.00 0.00 179.25 179.24 2r2a h LYS 59 N 0.00 0.14 -0.05 0.00 3.64 -1.99 -2.81 116.57 115.50 2r2a h LYS 59 Ca -0.00 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2r2a h LYS 59 Cb 0.17 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2r2a h LYS 59 CO 0.00 0.89 -0.36 0.87 -2.27 0.00 0.00 179.45 178.58 2r2a h LYS 60 N 0.08 0.34 -1.91 1.90 1.57 -1.58 -3.43 116.57 113.54 2r2a h LYS 60 Ca -0.03 -0.29 -0.26 0.00 -1.87 0.00 0.00 60.65 58.20 2r2a h LYS 60 Cb 1.44 0.07 -0.31 0.00 0.08 0.00 0.00 32.23 33.51 2r2a h LYS 60 CO 0.12 0.95 -0.59 -1.17 -0.57 0.00 0.00 179.45 178.19 2r2a s LEU 61 N -8.62 -0.50 0.29 2.94 2.96 -0.80 -5.02 118.68 109.93 2r2a s LEU 61 Ca -0.14 -0.65 0.17 0.00 -0.22 0.00 0.00 54.13 53.29 2r2a s LEU 61 Cb 0.03 0.81 0.10 0.00 0.50 0.00 0.00 46.19 47.64 2r2a s LEU 61 CO 0.78 -0.36 1.40 1.55 -1.32 0.00 0.00 176.35 178.40 2r2a h PRO 62 N 8.11 0.00 -4.95 0.98 0.13 -1.75 -3.41 132.00 131.11 2r2a h PRO 62 Ca -0.09 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.72 2r2a h PRO 62 Cb 1.10 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.05 2r2a h PRO 62 CO 0.29 0.34 -0.73 0.15 -0.23 0.00 0.00 178.00 177.82 2r2a s LYS 63 N -3.03 0.85 0.75 0.86 -0.14 -1.26 -4.38 119.74 113.38 2r2a s LYS 63 Ca 0.04 -1.18 -0.11 0.00 -1.36 0.00 0.00 55.97 53.36 2r2a s LYS 63 Cb 0.07 -0.52 0.04 0.00 -1.68 0.00 0.00 37.83 35.74 2r2a s LYS 63 CO 0.74 0.08 1.08 -1.12 -0.76 0.00 0.00 175.35 175.37 2r2a s SER 64 N -2.50 4.92 0.41 2.83 0.01 -1.26 -4.56 113.70 113.55 2r2a s SER 64 Ca 0.06 1.41 0.03 0.00 1.31 0.00 0.00 55.95 58.76 2r2a s SER 64 Cb -0.02 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2r2a s SER 64 CO -0.00 -1.71 0.10 0.42 0.41 0.00 0.00 173.24 172.46 2r2a s THR 65 N -3.13 0.76 -0.75 1.44 -4.23 -0.26 -4.97 115.64 104.50 2r2a s THR 65 Ca 0.59 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.25 2r2a s THR 65 Cb -0.14 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.45 2r2a s THR 65 CO 0.54 0.00 1.44 0.47 -0.54 0.00 0.00 174.62 176.53 2r2a n ASP 66 N -1.22 0.25 -0.12 3.99 9.92 -1.26 -3.72 116.55 124.40 2r2a n ASP 66 Ca -0.07 0.58 -0.19 0.00 -0.53 0.00 0.00 54.79 54.58 2r2a n ASP 66 Cb 0.65 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 40.40 2r2a n ASP 66 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2r2a n GLU 67 N -1.80 0.58 -4.40 -1.24 2.13 -1.26 -5.04 120.64 109.61 2r2a n GLU 67 Ca 0.01 0.16 -0.21 0.00 0.66 0.00 0.00 57.16 57.78 2r2a n GLU 67 Cb 0.12 -1.46 -0.13 0.00 0.27 0.00 0.00 31.44 30.23 2r2a n GLU 67 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2r2a s GLN 68 N -2.47 1.00 -0.17 5.31 -0.21 -1.24 -5.13 119.66 116.74 2r2a s GLN 68 Ca -0.33 -0.77 -0.08 0.00 0.02 0.00 0.00 55.36 54.20 2r2a s GLN 68 Cb 0.09 -1.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 2r2a s GLN 68 CO 0.53 0.25 0.12 -0.51 -2.12 0.00 0.00 175.29 173.56 2r2a s LEU 69 N -1.10 4.22 -0.05 2.90 1.43 -1.26 -1.10 118.68 123.71 2r2a s LEU 69 Ca 0.02 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2r2a s LEU 69 Cb -0.08 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2r2a s LEU 69 CO 0.01 0.27 0.18 -0.55 0.23 0.00 0.00 176.35 176.49 2r2a s SER 70 N -0.19 6.40 0.45 2.29 0.15 -1.26 -1.27 113.70 120.27 2r2a s SER 70 Ca 0.10 0.42 0.31 0.00 0.70 0.00 0.00 55.95 57.49 2r2a s SER 70 Cb -0.11 -2.04 1.39 0.00 -1.71 0.00 0.00 66.02 63.55 2r2a s SER 70 CO 0.01 0.31 1.93 0.00 1.20 0.00 0.00 173.24 176.68 2r2a h ALA 71 N 4.25 1.00 0.00 5.45 0.00 -0.13 -3.26 119.26 126.57 2r2a h ALA 71 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2r2a h ALA 71 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2r2a h ALA 71 CO 0.65 0.00 -0.19 0.45 0.00 0.00 0.00 179.25 180.16 2r2a h HIS 72 N 0.00 0.00 -3.70 0.00 3.86 -1.82 -3.44 115.15 110.04 2r2a h HIS 72 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 2r2a h HIS 72 Cb 0.34 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.47 2r2a h HIS 72 CO 0.00 0.19 -0.75 0.16 0.86 0.00 0.00 177.93 178.39 2r2a s ASP 73 N -6.27 4.53 0.00 2.45 1.47 -1.23 -4.73 116.67 112.89 2r2a s ASP 73 Ca 0.05 -1.18 0.00 0.00 1.18 0.00 0.00 52.55 52.60 2r2a s ASP 73 Cb 0.06 -1.64 0.00 0.00 -0.34 0.00 0.00 42.92 41.00 2r2a s ASP 73 CO 0.69 -0.19 0.00 0.00 0.68 0.00 0.00 175.17 176.34 2r2a n TYR 75 N 4.58 0.00 0.00 2.11 4.11 -1.26 -3.22 117.16 123.47 2r2a n TYR 75 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 2r2a n TYR 75 Cb 0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2r2a n TYR 75 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2r2a n GLU 76 N -0.08 0.00 0.28 -3.48 1.02 -1.26 -4.50 120.64 112.62 2r2a n GLU 76 Ca 0.00 0.31 0.15 0.00 -0.02 0.00 0.00 57.16 57.60 2r2a n GLU 76 Cb 0.00 -0.78 0.82 0.00 -0.02 0.00 0.00 31.44 31.46 2r2a n GLU 76 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 2r2a h TRP 77 N 0.00 0.00 0.00 -0.32 5.08 -1.97 -2.90 115.95 115.84 2r2a h TRP 77 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2r2a h TRP 77 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2r2a h TRP 77 CO 0.00 0.07 -0.05 0.97 -1.28 0.00 0.00 178.44 178.15 2r2a h ILE 78 N 0.00 0.30 -0.00 0.12 6.09 -1.84 -2.77 117.51 119.41 2r2a h ILE 78 Ca -0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2r2a h ILE 78 Cb 0.28 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.80 2r2a h ILE 78 CO 0.01 0.05 -0.24 0.29 -3.07 0.00 0.00 178.15 175.19 2r2a n LYS 79 N -3.41 0.47 -2.84 2.19 5.02 -1.10 -4.31 118.16 114.18 2r2a n LYS 79 Ca -0.02 -0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 55.65 2r2a n LYS 79 Cb 0.18 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 2r2a n LYS 79 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2r2a s LYS 80 N -2.68 4.59 0.24 1.97 -2.85 -1.05 -4.89 119.74 115.08 2r2a s LYS 80 Ca 0.21 1.27 0.06 0.00 -1.00 0.00 0.00 55.97 56.51 2r2a s LYS 80 Cb 0.19 -3.39 0.71 0.00 -2.06 0.00 0.00 37.83 33.28 2r2a s LYS 80 CO 0.55 0.20 1.15 -2.30 0.10 0.00 0.00 175.35 175.05 2r2a n PRO 81 N 2.98 -0.05 0.20 1.78 -0.01 -1.26 0.54 135.00 139.18 2r2a n PRO 81 Ca 0.01 1.06 0.15 0.00 -0.01 0.00 0.00 63.50 64.71 2r2a n PRO 81 Cb 0.50 -1.76 0.66 0.00 -0.01 0.00 0.00 33.50 32.89 2r2a n PRO 81 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 2r2a h GLU 82 N 0.00 0.00 -0.01 -0.52 9.09 -1.94 -3.06 114.58 118.14 2r2a h GLU 82 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 2r2a h GLU 82 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2r2a h GLU 82 CO -0.64 0.00 -0.31 0.09 0.05 0.00 0.00 179.01 178.20 2r2a n ASN 83 N -2.58 1.65 -4.77 3.06 3.02 0.19 -4.99 115.26 110.84 2r2a n ASN 83 Ca 0.00 -1.32 -0.39 0.00 -0.03 0.00 0.00 54.58 52.84 2r2a n ASN 83 Cb 0.19 0.44 0.01 0.00 -0.61 0.00 0.00 39.78 39.81 2r2a n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2r2a s ILE 84 N -1.85 2.41 -1.13 2.41 -4.36 -1.16 -2.78 121.20 114.73 2r2a s ILE 84 Ca 0.13 0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 2r2a s ILE 84 Cb 0.13 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.63 2r2a s ILE 84 CO 0.39 0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.22 2r2a n GLY 85 N 0.63 0.87 3.97 6.27 0.00 0.21 -4.96 105.19 112.18 2r2a n GLY 85 Ca 0.05 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2r2a n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2a s SER 86 N -2.77 4.33 -0.07 1.61 1.04 -1.12 -4.64 113.70 112.07 2r2a s SER 86 Ca 0.00 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.34 2r2a s SER 86 Cb 0.00 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 2r2a s SER 86 CO 0.00 -1.88 -0.23 -0.63 0.98 0.00 0.00 173.24 171.48 2r2a s ILE 87 N -3.22 1.93 -0.11 -1.02 1.01 0.14 -2.07 121.20 117.86 2r2a s ILE 87 Ca 0.66 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2r2a s ILE 87 Cb -0.06 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2r2a s ILE 87 CO 0.45 0.54 -0.23 -0.69 0.00 0.00 0.00 174.94 175.00 2r2a s VAL 88 N 0.13 2.04 -0.17 2.92 1.01 0.83 -0.58 120.40 126.57 2r2a s VAL 88 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.88 2r2a s VAL 88 Cb -0.15 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.48 2r2a s VAL 88 CO 0.06 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.96 2r2a s ILE 89 N 0.47 1.54 -0.25 2.22 1.01 0.18 -0.35 121.20 126.02 2r2a s ILE 89 Ca -0.16 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2r2a s ILE 89 Cb -0.17 -1.53 0.04 0.00 0.01 0.00 0.00 42.46 40.81 2r2a s ILE 89 CO 0.06 0.33 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 2r2a s VAL 90 N 1.47 2.49 0.28 2.92 1.01 -0.06 -3.34 120.40 125.17 2r2a s VAL 90 Ca 0.03 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 2r2a s VAL 90 Cb -0.14 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 2r2a s VAL 90 CO -0.10 0.10 0.84 -0.62 0.00 0.00 0.00 175.10 175.33 2r2a s ASP 91 N 1.21 7.22 -1.20 3.32 2.15 -1.26 -1.44 116.67 126.67 2r2a s ASP 91 Ca -0.04 1.65 -0.14 0.00 0.43 0.00 0.00 52.55 54.45 2r2a s ASP 91 Cb -0.18 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2r2a s ASP 91 CO -0.05 -0.02 0.73 -0.62 -0.17 0.00 0.00 175.17 175.04 2r2a n GLU 92 N 0.66 -2.10 0.18 4.34 -0.58 -0.46 -4.83 120.64 117.85 2r2a n GLU 92 Ca -0.00 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.36 2r2a n GLU 92 Cb 0.50 -4.42 0.63 0.00 -0.57 0.00 0.00 31.44 27.59 2r2a n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r2a h ALA 93 N 0.78 1.00 0.00 0.62 0.00 -1.28 -2.05 119.26 118.33 2r2a h ALA 93 Ca -0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2r2a h ALA 93 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2r2a h ALA 93 CO 0.51 0.00 0.00 -0.56 0.00 0.00 0.00 179.25 179.20 2r2a h GLN 94 N 0.00 0.00 0.00 0.00 -0.00 -1.83 -0.85 115.11 112.43 2r2a h GLN 94 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2r2a h GLN 94 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.66 2r2a h GLN 94 CO 0.00 0.00 -0.03 -0.44 -0.00 0.00 0.00 178.83 178.36 2r2a h ASP 95 N 0.00 0.00 0.00 0.06 3.32 -1.71 -3.06 116.42 115.03 2r2a h ASP 95 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 2r2a h ASP 95 Cb 0.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2r2a h ASP 95 CO 0.00 0.03 -1.74 0.52 -1.72 0.00 0.00 179.24 176.33 2r2a n VAL 96 N -3.13 0.73 -3.19 -1.35 0.31 -0.44 -4.79 118.33 106.48 2r2a n VAL 96 Ca 0.01 -0.25 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 2r2a n VAL 96 Cb 0.35 -1.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 2r2a n VAL 96 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2r2a n TRP 97 N -3.11 2.04 -1.34 3.52 8.01 -0.51 -5.02 117.44 121.03 2r2a n TRP 97 Ca -0.24 -3.90 -0.31 0.00 -1.31 0.00 0.00 57.50 51.74 2r2a n TRP 97 Cb 0.72 -0.46 0.08 0.00 -2.01 0.00 0.00 31.31 29.65 2r2a n TRP 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2r2a s PRO 98 N -2.43 2.36 0.39 -0.99 0.04 -1.16 -1.04 135.00 132.17 2r2a s PRO 98 Ca 0.41 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 2r2a s PRO 98 Cb 0.23 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.75 2r2a s PRO 98 CO -0.08 -1.56 1.03 0.00 0.04 0.00 0.00 177.00 176.42 2r2a n ALA 99 N -3.36 0.21 -2.38 8.56 0.00 -0.52 -2.80 120.51 120.21 2r2a n ALA 99 Ca 0.09 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 2r2a n ALA 99 Cb 0.53 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 2r2a n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2r2a s ARG 100 N -1.91 1.43 0.52 0.00 0.52 -1.26 -4.84 118.95 113.40 2r2a s ARG 100 Ca 0.62 -1.67 -0.22 0.00 -0.52 0.00 0.00 55.73 53.93 2r2a s ARG 100 Cb -0.58 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 33.64 2r2a s ARG 100 CO 0.58 0.14 1.18 -1.13 0.02 0.00 0.00 175.30 176.09 2r2a n SER 101 N -0.47 1.92 -4.72 0.23 3.41 -1.26 -4.92 113.62 107.81 2r2a n SER 101 Ca -0.07 0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 59.08 2r2a n SER 101 Cb 0.61 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 2r2a n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r2a n ALA 102 N -0.99 2.56 -1.40 7.33 0.00 -1.26 -2.89 120.51 123.87 2r2a n ALA 102 Ca 0.10 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 2r2a n ALA 102 Cb 0.44 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.35 2r2a n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r2a n GLY 103 N 3.13 1.43 3.87 0.00 0.00 -1.26 -5.00 105.19 107.36 2r2a n GLY 103 Ca 0.13 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2r2a n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2a s SER 104 N -2.79 6.26 0.41 1.61 1.04 -1.14 -5.01 113.70 114.07 2r2a s SER 104 Ca 0.00 1.38 -0.26 0.00 0.48 0.00 0.00 55.95 57.55 2r2a s SER 104 Cb 0.00 -2.45 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 2r2a s SER 104 CO 0.00 -0.83 1.22 1.17 0.98 0.00 0.00 173.24 175.79 2r2a n LYS 105 N -2.63 1.84 -3.06 4.02 0.00 -1.26 -4.95 118.16 112.12 2r2a n LYS 105 Ca 0.06 0.65 -0.41 0.00 0.00 0.00 0.00 58.31 58.61 2r2a n LYS 105 Cb 0.54 -2.30 -0.06 0.00 0.00 0.00 0.00 35.03 33.21 2r2a n LYS 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2r2a s ILE 106 N -1.19 4.91 0.74 3.15 1.01 -1.26 -5.04 121.20 123.51 2r2a s ILE 106 Ca 0.61 1.04 -0.14 0.00 0.00 0.00 0.00 60.65 62.16 2r2a s ILE 106 Cb -0.53 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 37.96 2r2a s ILE 106 CO 0.58 -0.12 1.16 -2.84 0.00 0.00 0.00 174.94 173.72 2r2a s PRO 107 N 2.68 2.18 0.30 2.79 0.02 -1.26 -4.74 135.00 136.97 2r2a s PRO 107 Ca 0.28 1.55 -0.00 0.00 0.02 0.00 0.00 61.00 62.85 2r2a s PRO 107 Cb -0.15 -1.86 0.51 0.00 0.02 0.00 0.00 34.50 33.02 2r2a s PRO 107 CO 0.11 -1.76 1.93 0.93 -0.33 0.00 0.00 177.00 177.88 2r2a h GLU 108 N -0.53 1.02 0.00 5.54 3.07 -1.97 -0.66 114.58 121.05 2r2a h GLU 108 Ca -0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 2r2a h GLU 108 Cb 1.27 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2r2a h GLU 108 CO 0.50 0.68 0.00 -1.71 -1.40 0.00 0.00 179.01 177.08 2r2a n ASN 109 N -4.46 0.00 -0.11 1.42 5.15 -1.26 -2.62 115.26 113.37 2r2a n ASN 109 Ca 0.12 0.17 -0.15 0.00 -0.60 0.00 0.00 54.58 54.12 2r2a n ASN 109 Cb 0.15 -0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 2r2a n ASN 109 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2r2a n VAL 110 N -1.34 1.22 0.15 3.44 0.31 -0.76 -4.68 118.33 116.66 2r2a n VAL 110 Ca 0.07 -0.46 0.12 0.00 -0.01 0.00 0.00 64.34 64.06 2r2a n VAL 110 Cb 0.15 -1.26 0.65 0.00 -0.91 0.00 0.00 33.84 32.47 2r2a n VAL 110 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2r2a h GLN 111 N -0.01 0.03 0.00 5.55 5.75 -0.90 -1.39 115.11 124.14 2r2a h GLN 111 Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2r2a h GLN 111 Cb 1.73 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.27 2r2a h GLN 111 CO -0.08 0.02 0.00 0.11 -2.65 0.00 0.00 178.83 176.23 2r2a h TRP 112 N 0.03 0.00 -0.71 3.99 5.08 -1.83 -3.30 115.95 119.21 2r2a h TRP 112 Ca 0.10 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.05 2r2a h TRP 112 Cb 0.38 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.50 2r2a h TRP 112 CO -0.00 0.00 0.35 -0.07 -1.28 0.00 0.00 178.44 177.44 2r2a h LEU 113 N 0.00 0.91 -0.47 0.11 3.38 -1.54 -1.54 115.31 116.15 2r2a h LEU 113 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2r2a h LEU 113 Cb 0.62 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2r2a h LEU 113 CO 0.00 0.76 0.00 -0.46 0.09 0.00 0.00 178.44 178.83 2r2a n ASN 114 N -4.34 0.47 -0.93 -0.43 0.23 -1.24 -1.39 115.26 107.63 2r2a n ASN 114 Ca 0.07 0.61 0.03 0.00 -0.53 0.00 0.00 54.58 54.76 2r2a n ASN 114 Cb 0.13 -0.71 0.22 0.00 -2.08 0.00 0.00 39.78 37.33 2r2a n ASN 114 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2r2a n THR 115 N -2.02 2.37 0.27 5.53 -2.24 -0.60 -4.76 114.28 112.82 2r2a n THR 115 Ca 0.03 -2.30 0.15 0.00 -2.27 0.00 0.00 64.05 59.66 2r2a n THR 115 Cb 0.22 -0.28 0.88 0.00 -2.10 0.00 0.00 70.33 69.04 2r2a n THR 115 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 2r2a h HIS 116 N 1.27 0.00 0.00 4.78 2.07 -1.00 -1.87 115.15 120.40 2r2a h HIS 116 Ca 0.10 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.56 2r2a h HIS 116 Cb 1.50 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.47 2r2a h HIS 116 CO 0.68 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 175.26 2r2a h ARG 117 N 0.00 0.00 -0.15 5.12 3.08 -1.83 -1.90 114.38 118.69 2r2a h ARG 117 Ca 0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2r2a h ARG 117 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2r2a h ARG 117 CO -0.00 0.28 0.06 0.45 -1.07 0.00 0.00 179.97 179.69 2r2a h HIS 118 N 0.00 0.11 -0.02 3.04 3.86 -1.73 -0.77 115.15 119.65 2r2a h HIS 118 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2r2a h HIS 118 Cb 0.62 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2r2a h HIS 118 CO 0.00 0.06 0.00 1.04 0.86 0.00 0.00 177.93 179.89 2r2a n GLN 119 N -5.04 1.07 -2.73 2.45 3.00 -1.16 -4.90 117.38 110.07 2r2a n GLN 119 Ca -0.04 -0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 56.66 2r2a n GLN 119 Cb 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.03 2r2a n GLN 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r2a n GLY 120 N 0.79 -0.50 3.62 1.08 0.00 -0.30 -0.62 105.19 109.26 2r2a n GLY 120 Ca 0.13 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2r2a n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2a s ILE 121 N -2.95 5.03 0.07 -0.61 -1.09 -0.74 -4.01 121.20 116.90 2r2a s ILE 121 Ca 0.14 0.99 -0.24 0.00 -2.23 0.00 0.00 60.65 59.31 2r2a s ILE 121 Cb -0.07 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2r2a s ILE 121 CO 0.18 0.06 0.73 -1.81 -1.23 0.00 0.00 174.94 172.87 2r2a s ASP 122 N 1.51 7.21 -0.05 3.58 1.01 -0.88 -4.39 116.67 124.67 2r2a s ASP 122 Ca 0.23 1.44 0.03 0.00 0.71 0.00 0.00 52.55 54.97 2r2a s ASP 122 Cb -0.16 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2r2a s ASP 122 CO 0.09 0.09 -0.14 -0.63 0.21 0.00 0.00 175.17 174.79 2r2a s ILE 123 N -0.41 1.25 -0.10 0.77 1.01 -0.63 -0.12 121.20 122.97 2r2a s ILE 123 Ca 0.36 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2r2a s ILE 123 Cb -0.21 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2r2a s ILE 123 CO 0.23 0.37 -0.20 -0.36 0.00 0.00 0.00 174.94 174.97 2r2a s PHE 124 N 0.25 2.63 -0.09 3.97 0.08 0.53 -1.29 117.98 124.05 2r2a s PHE 124 Ca -0.07 -0.83 0.03 0.00 0.12 0.00 0.00 56.93 56.18 2r2a s PHE 124 Cb -0.12 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2r2a s PHE 124 CO 0.03 -0.29 -0.20 0.14 -0.10 0.00 0.00 175.22 174.79 2r2a s VAL 125 N 0.21 1.77 -0.08 -0.44 -7.23 0.09 -0.88 120.40 113.84 2r2a s VAL 125 Ca -0.13 -0.85 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 2r2a s VAL 125 Cb -0.16 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2r2a s VAL 125 CO 0.07 0.50 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.51 2r2a s LEU 126 N 0.49 3.09 0.32 1.32 1.02 -0.52 -0.75 118.68 123.64 2r2a s LEU 126 Ca -0.17 -0.08 -0.18 0.00 0.02 0.00 0.00 54.13 53.72 2r2a s LEU 126 Cb -0.17 -1.67 0.03 0.00 0.02 0.00 0.00 46.19 44.40 2r2a s LEU 126 CO 0.06 0.33 0.73 0.28 0.02 0.00 0.00 176.35 177.78 2r2a s THR 127 N -0.61 0.00 -0.06 5.49 -1.32 -0.57 -1.17 115.64 117.39 2r2a s THR 127 Ca 0.09 -1.02 0.12 0.00 -1.21 0.00 0.00 61.69 59.67 2r2a s THR 127 Cb -0.12 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 2r2a s THR 127 CO 0.02 0.00 1.33 1.56 -2.21 0.00 0.00 174.62 175.32 2r2a h GLN 128 N 2.01 0.00 -2.24 7.08 4.20 -1.87 -3.11 115.11 121.19 2r2a h GLN 128 Ca -0.24 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 2r2a h GLN 128 Cb 1.25 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.82 2r2a h GLN 128 CO 0.30 0.65 0.03 0.20 -0.67 0.00 0.00 178.83 179.34 2r2a s GLY 129 N -4.58 -0.47 0.41 3.46 0.00 -1.26 -3.38 107.32 101.51 2r2a s GLY 129 Ca 0.02 1.62 0.08 0.00 0.00 0.00 0.00 44.72 46.45 2r2a s GLY 129 CO 0.78 1.36 2.03 -2.55 0.00 0.00 0.00 173.10 174.72 2r2a h PRO 130 N 4.76 0.42 0.00 2.90 0.11 -1.88 -2.51 132.00 135.80 2r2a h PRO 130 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2r2a h PRO 130 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2r2a h PRO 130 CO 0.17 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 179.92 2r2a n LYS 131 N -4.44 0.71 0.09 1.05 5.02 -1.26 -1.42 118.16 117.92 2r2a n LYS 131 Ca 0.02 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 2r2a n LYS 131 Cb 0.11 -1.41 0.44 0.00 -0.02 0.00 0.00 35.03 34.15 2r2a n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r2a n LEU 132 N -0.91 0.70 -4.83 -0.35 4.77 -0.95 -4.63 117.00 110.80 2r2a n LEU 132 Ca 0.14 0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 56.42 2r2a n LEU 132 Cb 0.06 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2r2a n LEU 132 CO 0.11 -0.17 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.04 2r2a s LEU 133 N -4.32 3.93 0.08 2.23 1.43 -0.51 -1.44 118.68 120.09 2r2a s LEU 133 Ca 0.11 -0.04 -0.35 0.00 -1.03 0.00 0.00 54.13 52.82 2r2a s LEU 133 Cb 0.13 -2.54 -0.14 0.00 0.03 0.00 0.00 46.19 43.67 2r2a s LEU 133 CO 0.58 0.08 1.60 -0.67 0.23 0.00 0.00 176.35 178.17 2r2a n ASP 134 N -0.29 2.87 -0.13 2.29 -0.08 -0.21 -3.66 116.55 117.34 2r2a n ASP 134 Ca -0.08 1.07 0.18 0.00 -1.51 0.00 0.00 54.79 54.45 2r2a n ASP 134 Cb 0.54 -1.36 0.58 0.00 2.34 0.00 0.00 41.12 43.22 2r2a n ASP 134 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2r2a h GLN 135 N 6.34 0.25 0.00 -0.67 4.20 -1.92 -0.91 115.11 122.40 2r2a h GLN 135 Ca -0.46 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2r2a h GLN 135 Cb 1.27 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2r2a h GLN 135 CO 0.88 0.17 -0.38 -0.91 -0.67 0.00 0.00 178.83 177.92 2r2a h ASN 136 N 0.26 0.00 0.16 1.46 2.35 -1.97 0.11 115.58 117.95 2r2a h ASN 136 Ca 0.35 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.86 2r2a h ASN 136 Cb 1.01 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.40 2r2a h ASN 136 CO -0.08 0.38 -1.04 0.25 -1.65 0.00 0.00 177.43 175.28 2r2a h LEU 137 N 0.00 0.64 -1.15 1.61 5.85 -1.65 -3.36 115.31 117.25 2r2a h LEU 137 Ca -0.00 -0.91 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 2r2a h LEU 137 Cb 0.87 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2r2a h LEU 137 CO 0.05 1.50 0.36 0.03 -0.34 0.00 0.00 178.44 180.04 2r2a h ARG 138 N -0.12 0.95 -0.00 1.25 3.08 -0.82 -1.88 114.38 116.84 2r2a h ARG 138 Ca -0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2r2a h ARG 138 Cb 1.80 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.67 2r2a h ARG 138 CO 0.20 0.71 0.00 1.79 -1.07 0.00 0.00 179.97 181.60 2r2a h THR 139 N 0.96 0.51 -0.00 2.04 1.35 -1.12 -2.25 112.91 114.39 2r2a h THR 139 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2r2a h THR 139 Cb 0.04 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2r2a h THR 139 CO -0.04 0.00 -0.39 0.18 -0.25 0.00 0.00 175.52 175.02 2r2a n LEU 140 N -3.82 0.67 -4.73 3.87 4.77 -0.71 -4.93 117.00 112.12 2r2a n LEU 140 Ca -0.03 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 2r2a n LEU 140 Cb 0.08 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2r2a n LEU 140 CO 0.27 0.14 1.05 -0.69 -1.33 0.00 0.00 177.39 176.83 2r2a s VAL 141 N -2.81 3.03 -0.07 4.08 1.01 -0.84 -4.47 120.40 120.33 2r2a s VAL 141 Ca 0.16 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.98 2r2a s VAL 141 Cb 0.18 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2r2a s VAL 141 CO 0.63 0.11 0.52 0.54 0.00 0.00 0.00 175.10 176.90 2r2a n ARG 142 N 2.83 -0.89 -3.68 2.72 1.74 -0.47 -4.15 116.66 114.76 2r2a n ARG 142 Ca 0.08 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.51 2r2a n ARG 142 Cb 0.42 -1.01 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 2r2a n ARG 142 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2r2a s LYS 143 N -0.05 0.32 -0.14 5.56 2.20 -1.21 -4.45 119.74 121.97 2r2a s LYS 143 Ca 0.01 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 2r2a s LYS 143 Cb 0.00 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 2r2a s LYS 143 CO 0.01 -0.21 -0.12 -1.58 -0.36 0.00 0.00 175.35 173.09 2r2a s HIS 144 N 2.00 1.98 -0.11 4.03 5.65 -0.38 -0.43 115.29 128.04 2r2a s HIS 144 Ca -0.05 -1.12 -0.03 0.00 0.25 0.00 0.00 55.06 54.12 2r2a s HIS 144 Cb -0.10 -1.49 -0.03 0.00 -1.18 0.00 0.00 32.58 29.78 2r2a s HIS 144 CO -0.12 -0.63 0.00 0.71 -0.65 0.00 0.00 174.74 174.05 2r2a s TYR 145 N 1.55 3.15 -0.05 3.88 2.02 0.80 -1.33 117.35 127.38 2r2a s TYR 145 Ca 0.04 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2r2a s TYR 145 Cb -0.13 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2r2a s TYR 145 CO -0.10 0.36 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.54 2r2a s HIS 146 N -0.55 1.32 -0.37 2.71 5.65 0.16 -0.86 115.29 123.35 2r2a s HIS 146 Ca 0.09 -0.41 -0.19 0.00 0.25 0.00 0.00 55.06 54.80 2r2a s HIS 146 Cb -0.12 -0.95 0.00 0.00 -1.18 0.00 0.00 32.58 30.34 2r2a s HIS 146 CO 0.02 -0.19 0.57 0.42 -0.65 0.00 0.00 174.74 174.91 2r2a s ILE 147 N 0.37 4.95 0.02 0.89 1.01 -0.51 -0.51 121.20 127.43 2r2a s ILE 147 Ca -0.08 0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2r2a s ILE 147 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2r2a s ILE 147 CO 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 174.94 174.72 2r2a s ALA 148 N 2.55 3.59 -0.02 9.38 0.00 0.38 -4.58 121.76 133.05 2r2a s ALA 148 Ca 0.21 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2r2a s ALA 148 Cb -0.15 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2r2a s ALA 148 CO 0.15 0.71 -0.19 0.45 0.00 0.00 0.00 175.76 176.88 2r2a s SER 149 N -1.94 2.26 0.93 0.00 0.15 -1.26 -0.85 113.70 112.99 2r2a s SER 149 Ca 0.25 -0.35 -0.14 0.00 0.70 0.00 0.00 55.95 56.41 2r2a s SER 149 Cb -0.12 -0.28 0.18 0.00 -1.71 0.00 0.00 66.02 64.10 2r2a s SER 149 CO 0.17 0.23 1.29 0.54 1.20 0.00 0.00 173.24 176.66 2r2a s ASN 150 N -0.42 3.32 -0.06 5.45 4.22 -1.26 -5.02 114.94 121.17 2r2a s ASN 150 Ca 0.07 0.26 -0.06 0.00 -2.14 0.00 0.00 52.86 50.99 2r2a s ASN 150 Cb -0.08 -0.36 -0.25 0.00 1.28 0.00 0.00 41.25 41.84 2r2a s ASN 150 CO -0.01 -2.60 3.40 2.29 -2.04 0.00 0.00 177.10 178.15 2r2a n LYS 151 N -3.66 1.93 0.00 3.55 2.85 -1.26 -5.01 118.16 116.57 2r2a n LYS 151 Ca 0.15 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.43 2r2a n LYS 151 Cb 0.60 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2r2a n LYS 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2r2a n GLY 153 N 2.57 -3.36 3.32 2.58 0.00 -1.26 -5.36 105.19 103.69 2r2a n GLY 153 Ca 0.42 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 2r2a n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r2a s ARG 155 N -0.10 0.47 -0.10 1.61 0.52 -1.26 -4.81 118.95 115.28 2r2a s ARG 155 Ca 0.00 0.71 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 2r2a s ARG 155 Cb 0.00 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 2r2a s ARG 155 CO 0.00 -0.11 -0.12 0.99 0.02 0.00 0.00 175.30 176.09 2r2a s THR 156 N 0.78 3.22 -0.27 0.02 2.01 -0.03 -2.31 115.64 119.06 2r2a s THR 156 Ca -0.04 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 2r2a s THR 156 Cb -0.05 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2r2a s THR 156 CO -0.06 0.55 0.52 -0.22 -0.69 0.00 0.00 174.62 174.72 2r2a s LEU 157 N -0.09 4.07 -0.10 4.42 2.96 0.10 -0.47 118.68 129.57 2r2a s LEU 157 Ca -0.01 0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 2r2a s LEU 157 Cb -0.14 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2r2a s LEU 157 CO 0.03 -0.31 0.24 -0.76 -1.32 0.00 0.00 176.35 174.24 2r2a s LEU 158 N 2.33 4.38 -0.04 -0.68 1.43 0.34 -1.21 118.68 125.23 2r2a s LEU 158 Ca 0.21 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2r2a s LEU 158 Cb -0.16 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.81 2r2a s LEU 158 CO 0.09 0.32 -0.09 -0.70 0.23 0.00 0.00 176.35 176.21 2r2a s GLU 159 N -0.72 1.17 0.27 1.70 2.12 -0.06 -0.67 118.70 122.51 2r2a s GLU 159 Ca 0.17 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.28 2r2a s GLU 159 Cb -0.13 -1.05 -0.06 0.00 0.26 0.00 0.00 34.13 33.15 2r2a s GLU 159 CO 0.06 0.02 -0.03 -1.58 -0.54 0.00 0.00 175.26 173.19 2r2a s TRP 160 N 0.59 1.82 -2.68 5.30 0.51 -0.44 -1.25 118.94 122.78 2r2a s TRP 160 Ca -0.10 -0.79 0.24 0.00 -2.12 0.00 0.00 56.10 53.33 2r2a s TRP 160 Cb -0.13 -1.05 0.49 0.00 -0.81 0.00 0.00 33.47 31.97 2r2a s TRP 160 CO 0.02 0.15 1.43 1.63 -0.51 0.00 0.00 176.95 179.67 2r2a n LYS 161 N -0.53 2.16 -4.20 4.98 4.76 -1.26 -1.25 118.16 122.82 2r2a n LYS 161 Ca -0.05 -1.72 -0.13 0.00 -2.87 0.00 0.00 58.31 53.54 2r2a n LYS 161 Cb 0.64 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.27 2r2a n LYS 161 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2r2a s ILE 162 N -1.85 0.00 -0.03 -0.18 -4.36 -1.26 -4.11 121.20 109.41 2r2a s ILE 162 Ca 0.33 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 2r2a s ILE 162 Cb 0.21 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 2r2a s ILE 162 CO 0.31 0.00 1.49 0.00 0.24 0.00 0.00 174.94 176.98 2r2a s ALA 164 N 3.11 3.39 0.47 0.00 0.00 -1.26 -4.94 121.76 122.53 2r2a s ALA 164 Ca 0.67 -1.76 0.22 0.00 0.00 0.00 0.00 51.96 51.10 2r2a s ALA 164 Cb -0.32 -3.35 1.36 0.00 0.00 0.00 0.00 23.12 20.82 2r2a s ALA 164 CO 0.26 -2.00 2.09 -0.44 0.00 0.00 0.00 175.76 175.67 2r2a h ASP 165 N 8.99 0.00 -3.19 0.00 3.32 -1.98 -3.25 116.42 120.31 2r2a h ASP 165 Ca -0.28 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.16 2r2a h ASP 165 Cb 1.10 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.24 2r2a h ASP 165 CO 0.96 0.11 -0.72 -0.62 -1.72 0.00 0.00 179.24 177.25 2r2a s ASP 166 N -6.53 3.66 0.13 6.45 -1.08 -1.26 -4.49 116.67 113.56 2r2a s ASP 166 Ca -0.04 -3.21 -0.19 0.00 -0.52 0.00 0.00 52.55 48.59 2r2a s ASP 166 Cb 0.15 -1.18 -0.05 0.00 -1.46 0.00 0.00 42.92 40.37 2r2a s ASP 166 CO 0.62 -0.18 1.78 -0.65 0.52 0.00 0.00 175.17 177.26 2r2a h PRO 167 N 5.98 0.28 -0.12 4.34 0.11 -2.00 -3.10 132.00 137.49 2r2a h PRO 167 Ca 0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2r2a h PRO 167 Cb 0.86 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2r2a h PRO 167 CO 0.56 0.18 0.02 0.28 -0.21 0.00 0.00 178.00 178.84 2r2a h VAL 168 N 0.29 1.21 0.00 3.15 2.07 -1.96 -2.12 116.25 118.89 2r2a h VAL 168 Ca 0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2r2a h VAL 168 Cb -0.01 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2r2a h VAL 168 CO -0.03 0.19 0.00 1.17 0.02 0.00 0.00 177.57 178.92 2r2a n LYS 169 N -4.84 0.00 0.00 1.57 4.81 -1.17 -4.68 118.16 113.84 2r2a n LYS 169 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2r2a n LYS 169 Cb 0.17 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2r2a n LYS 169 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2r2a n ALA 171 N 0.93 0.00 0.32 3.14 0.00 -0.80 -4.94 120.51 119.16 2r2a n ALA 171 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2r2a n ALA 171 Cb 0.00 0.00 1.06 0.00 0.00 0.00 0.00 19.45 20.51 2r2a n ALA 171 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2r2a h SER 172 N 0.41 0.00 -0.09 0.00 4.64 -1.89 -0.82 113.55 115.79 2r2a h SER 172 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r2a h SER 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2r2a h SER 172 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2r2a n SER 173 N -3.18 2.90 -4.90 4.97 3.41 -1.26 -4.97 113.62 110.58 2r2a n SER 173 Ca -0.02 -1.94 -0.28 0.00 -0.26 0.00 0.00 58.87 56.37 2r2a n SER 173 Cb 0.18 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2r2a n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r2a s ALA 174 N -1.91 3.38 -0.18 7.33 0.00 -0.31 -4.91 121.76 125.15 2r2a s ALA 174 Ca 0.31 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2r2a s ALA 174 Cb 0.21 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2r2a s ALA 174 CO 0.31 -0.38 0.48 -0.06 0.00 0.00 0.00 175.76 176.10 2r2a s PHE 175 N -2.78 3.41 -0.15 0.00 0.40 -0.38 -4.86 117.98 113.62 2r2a s PHE 175 Ca 0.48 0.76 -0.05 0.00 -0.60 0.00 0.00 56.93 57.53 2r2a s PHE 175 Cb -0.10 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.79 2r2a s PHE 175 CO 0.46 -0.01 0.02 -1.12 0.70 0.00 0.00 175.22 175.26 2r2a s SER 176 N 0.99 5.28 0.06 1.36 0.01 -1.26 -0.88 113.70 119.27 2r2a s SER 176 Ca 0.23 0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.53 2r2a s SER 176 Cb -0.15 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 2r2a s SER 176 CO 0.09 0.23 -0.04 -0.94 0.41 0.00 0.00 173.24 172.99 2r2a s SER 177 N 0.03 0.67 0.34 2.44 1.04 -0.35 -4.99 113.70 112.88 2r2a s SER 177 Ca 0.03 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.22 2r2a s SER 177 Cb -0.13 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.05 2r2a s SER 177 CO 0.02 -0.53 1.37 -0.51 0.98 0.00 0.00 173.24 174.56 2r2a s ILE 178 N -3.62 2.50 0.11 -1.02 1.10 -1.26 0.03 121.20 119.04 2r2a s ILE 178 Ca 0.07 0.50 -0.31 0.00 -0.51 0.00 0.00 60.65 60.40 2r2a s ILE 178 Cb 0.06 -3.32 -0.08 0.00 0.15 0.00 0.00 42.46 39.26 2r2a s ILE 178 CO -0.08 0.12 1.47 -0.47 -2.11 0.00 0.00 174.94 173.87 2r2a s TYR 179 N -1.06 3.08 0.04 3.50 5.04 -0.98 -4.62 117.35 122.35 2r2a s TYR 179 Ca 0.51 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.96 2r2a s TYR 179 Cb -0.42 -3.78 -0.02 0.00 0.35 0.00 0.00 41.96 38.09 2r2a s TYR 179 CO 0.56 -2.82 -0.10 0.95 -1.34 0.00 0.00 175.55 172.80 2r2a s THR 180 N 1.38 0.76 0.13 4.34 -4.23 -1.26 -4.99 115.64 111.78 2r2a s THR 180 Ca 0.67 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 60.31 2r2a s THR 180 Cb -0.39 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2r2a s THR 180 CO 0.30 -0.15 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.34 2r2a s LEU 181 N -1.19 2.45 0.04 4.79 1.43 -1.26 -4.90 118.68 120.03 2r2a s LEU 181 Ca -0.03 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 2r2a s LEU 181 Cb -0.08 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.60 2r2a s LEU 181 CO 0.01 -0.21 1.35 -0.62 0.23 0.00 0.00 176.35 177.11 2r2a s ASP 182 N -2.73 6.90 0.33 2.29 -1.08 -1.26 -4.91 116.67 116.20 2r2a s ASP 182 Ca 0.12 2.13 0.25 0.00 -0.52 0.00 0.00 52.55 54.53 2r2a s ASP 182 Cb -0.02 -2.57 1.17 0.00 -1.46 0.00 0.00 42.92 40.04 2r2a s ASP 182 CO 0.02 -0.65 1.74 0.07 0.52 0.00 0.00 175.17 176.88 2r2a h LYS 183 N 7.34 0.00 -0.63 4.34 2.10 -2.00 -1.09 116.57 126.62 2r2a h LYS 183 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2r2a h LYS 183 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2r2a h LYS 183 CO 0.87 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.95 2r2a n LYS 184 N -2.35 3.25 -0.31 0.07 5.02 -1.26 -4.60 118.16 117.97 2r2a n LYS 184 Ca 0.00 -2.25 0.05 0.00 -2.02 0.00 0.00 58.31 54.10 2r2a n LYS 184 Cb 0.14 -1.80 0.25 0.00 -0.02 0.00 0.00 35.03 33.60 2r2a n LYS 184 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2r2a h VAL 185 N 3.17 1.02 0.00 -0.18 3.04 -1.59 -0.14 116.25 121.58 2r2a h VAL 185 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2r2a h VAL 185 Cb 1.25 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2r2a h VAL 185 CO 0.21 0.18 0.00 -1.22 -1.01 0.00 0.00 177.57 175.73 2r2a n TYR 186 N -4.52 0.00 0.46 3.17 4.01 -1.26 -1.68 117.16 117.34 2r2a n TYR 186 Ca 0.15 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.01 2r2a n TYR 186 Cb 0.25 -0.45 0.47 0.00 -0.31 0.00 0.00 39.34 39.31 2r2a n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2r2a n ASP 187 N -1.45 0.70 -0.07 7.72 8.00 -0.06 -3.47 116.55 127.92 2r2a n ASP 187 Ca 0.06 0.64 0.02 0.00 0.71 0.00 0.00 54.79 56.22 2r2a n ASP 187 Cb 0.20 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 2r2a n ASP 187 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2r2a n LEU 188 N -2.24 0.63 -3.69 0.64 4.77 -0.68 -4.94 117.00 111.50 2r2a n LEU 188 Ca 0.03 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.21 2r2a n LEU 188 Cb 0.28 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2r2a n LEU 188 CO 0.23 0.14 0.21 -0.47 -1.33 0.00 0.00 177.39 176.16 2r2a s TYR 189 N -1.15 -0.54 -0.03 -1.77 5.04 -1.12 -0.48 117.35 117.30 2r2a s TYR 189 Ca 0.03 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.92 2r2a s TYR 189 Cb 0.04 0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.58 2r2a s TYR 189 CO 0.16 -0.32 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.04 2r2a s GLU 190 N -0.05 0.34 0.00 4.97 2.12 -0.46 -4.50 118.70 121.12 2r2a s GLU 190 Ca -0.03 0.04 0.24 0.00 0.36 0.00 0.00 54.97 55.58 2r2a s GLU 190 Cb -0.03 -0.48 0.23 0.00 0.26 0.00 0.00 34.13 34.10 2r2a s GLU 190 CO 0.02 -0.10 1.28 -1.13 -0.54 0.00 0.00 175.26 174.79