#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgr n SER 17 N 0.00 -0.38 -4.67 9.51 3.41 -1.26 -2.63 113.62 117.59 1sgr n SER 17 Ca 0.00 -2.40 -0.46 0.00 -0.26 0.00 0.00 58.87 55.75 1sgr n SER 17 Cb 0.00 1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 1sgr n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgr n GLY 18 N -0.37 1.21 0.18 5.00 0.00 -0.71 -1.78 105.19 108.72 1sgr n GLY 18 Ca 0.05 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1sgr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgr n GLY 19 N 3.61 3.44 3.79 -0.02 0.00 0.15 -2.63 105.19 113.53 1sgr n GLY 19 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1sgr n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgr s ASP 29 N -0.86 5.02 0.55 1.61 1.01 -0.73 -2.58 116.67 120.68 1sgr s ASP 29 Ca 0.00 1.77 -0.18 0.00 0.71 0.00 0.00 52.55 54.85 1sgr s ASP 29 Cb 0.00 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1sgr s ASP 29 CO 0.00 -1.69 1.08 0.00 0.21 0.00 0.00 175.17 174.77 1sgr s ALA 30 N -2.84 2.75 0.01 5.23 0.00 -1.26 -1.47 121.76 124.17 1sgr s ALA 30 Ca 0.61 0.61 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1sgr s ALA 30 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1sgr s ALA 30 CO 0.52 -0.67 -0.07 0.96 0.00 0.00 0.00 175.76 176.50 1sgr s ILE 31 N -2.07 0.57 -0.06 0.00 -4.36 -0.32 -4.78 121.20 110.17 1sgr s ILE 31 Ca 0.68 -0.48 0.04 0.00 -0.26 0.00 0.00 60.65 60.63 1sgr s ILE 31 Cb -0.19 -0.51 -0.00 0.00 1.25 0.00 0.00 42.46 43.01 1sgr s ILE 31 CO 0.28 0.04 -0.19 -0.31 0.24 0.00 0.00 174.94 175.00 1sgr s TYR 32 N -0.43 1.96 0.00 1.37 1.51 -0.51 -0.61 117.35 120.64 1sgr s TYR 32 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1sgr s TYR 32 Cb -0.04 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1sgr s TYR 32 CO -0.00 -0.25 0.00 -1.13 -1.11 0.00 0.00 175.55 173.06 1sgr n SER 33 N 3.32 1.46 0.20 2.29 3.41 -0.46 -0.15 113.62 123.69 1sgr n SER 33 Ca -0.19 -0.43 0.09 0.00 -0.26 0.00 0.00 58.87 58.07 1sgr n SER 33 Cb 0.53 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.70 1sgr n SER 33 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sgr h SER 34 N 0.00 0.00 0.18 4.04 4.64 -1.95 -3.28 113.55 117.19 1sgr h SER 34 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1sgr h SER 34 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1sgr h SER 34 CO 0.00 0.21 -1.99 0.35 -0.87 0.00 0.00 176.83 174.53 1sgr n THR 39 N -3.20 0.79 -2.34 2.95 -2.24 -1.26 -5.10 114.28 103.88 1sgr n THR 39 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1sgr n THR 39 Cb 0.56 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1sgr n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgr n GLY 40 N 1.47 1.21 3.11 3.38 0.00 -1.24 -5.14 105.19 107.98 1sgr n GLY 40 Ca -0.16 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1sgr n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sgr s ARG 41 N 1.50 1.15 0.00 1.61 3.52 -1.26 -1.36 118.95 124.11 1sgr s ARG 41 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1sgr s ARG 41 Cb 0.00 -1.11 0.00 0.00 -1.56 0.00 0.00 34.95 32.28 1sgr s ARG 41 CO 0.00 0.31 0.00 0.00 -0.81 0.00 0.00 175.30 174.80 1sgr s SER 43 N -0.35 2.81 0.12 0.00 0.01 0.68 -1.18 113.70 115.79 1sgr s SER 43 Ca 0.00 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 1sgr s SER 43 Cb 0.00 -0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1sgr s SER 43 CO 0.00 0.05 1.06 -0.22 0.41 0.00 0.00 173.24 174.54 1sgr s LEU 44 N -2.28 4.46 0.00 2.44 0.20 -0.55 -3.88 118.68 119.08 1sgr s LEU 44 Ca 0.12 1.93 0.00 0.00 0.69 0.00 0.00 54.13 56.88 1sgr s LEU 44 Cb -0.08 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1sgr s LEU 44 CO 0.06 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 1sgr n GLY 45 N 2.38 0.26 2.97 7.98 0.00 0.16 0.33 105.19 119.27 1sgr n GLY 45 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1sgr n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgr s PHE 46 N -0.44 0.28 0.02 1.61 0.08 -1.16 -3.95 117.98 114.43 1sgr s PHE 46 Ca 0.00 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 1sgr s PHE 46 Cb 0.00 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 1sgr s PHE 46 CO 0.00 -0.12 0.99 -0.80 -0.10 0.00 0.00 175.22 175.19 1sgr s ASN 47 N -1.08 7.37 0.17 1.36 0.01 -1.26 -0.85 114.94 120.66 1sgr s ASN 47 Ca -0.11 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 1sgr s ASN 47 Cb -0.07 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1sgr s ASN 47 CO -0.01 -0.24 0.05 0.68 -1.51 0.00 0.00 177.10 176.08 1sgr s VAL 48 N 0.83 0.35 0.20 1.60 -7.23 -0.43 -4.32 120.40 111.39 1sgr s VAL 48 Ca 0.52 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.55 1sgr s VAL 48 Cb -0.22 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.53 1sgr s VAL 48 CO 0.28 -0.34 0.53 0.00 -0.31 0.00 0.00 175.10 175.27 1sgr s ARG 48 N -4.02 1.39 -0.10 4.82 1.70 0.37 -1.18 118.95 121.93 1sgr s ARG 48 Ca 0.28 -0.86 -0.04 0.00 -0.47 0.00 0.00 55.73 54.64 1sgr s ARG 48 Cb 0.07 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 35.03 1sgr s ARG 48 CO 0.06 -0.59 0.20 0.45 -1.08 0.00 0.00 175.30 174.33 1sgr s SER 48 N -2.87 0.58 1.40 -2.89 0.15 0.93 -1.78 113.70 109.22 1sgr s SER 48 Ca 0.09 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1sgr s SER 48 Cb -0.01 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1sgr s SER 48 CO -0.03 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1sgr n GLY 48 N 5.30 2.88 0.76 9.45 0.00 -1.26 0.11 105.19 122.44 1sgr n GLY 48 Ca -0.06 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1sgr n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sgr n SER 48 N 3.61 2.23 -4.57 1.61 3.41 -1.26 -4.86 113.62 113.80 1sgr n SER 48 Ca 0.00 -1.95 -0.34 0.00 -0.26 0.00 0.00 58.87 56.32 1sgr n SER 48 Cb 0.00 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 1sgr n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sgr s THR 49 N -1.50 4.31 -0.03 6.66 2.01 0.12 -5.06 115.64 122.15 1sgr s THR 49 Ca 0.30 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1sgr s THR 49 Cb 0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1sgr s THR 49 CO 0.21 0.48 0.15 -0.31 -0.69 0.00 0.00 174.62 174.47 1sgr s TYR 50 N 0.32 3.50 0.25 4.92 1.51 -1.26 -0.05 117.35 126.54 1sgr s TYR 50 Ca -0.00 0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 56.36 1sgr s TYR 50 Cb -0.13 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1sgr s TYR 50 CO 0.02 0.64 0.33 0.71 -1.11 0.00 0.00 175.55 176.14 1sgr s TYR 51 N -1.23 0.87 0.04 2.71 1.51 -0.32 -1.51 117.35 119.41 1sgr s TYR 51 Ca 0.24 -1.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1sgr s TYR 51 Cb -0.12 -0.19 -0.02 0.00 -0.11 0.00 0.00 41.96 41.51 1sgr s TYR 51 CO 0.15 -0.88 -0.15 -0.59 -1.11 0.00 0.00 175.55 172.97 1sgr s PHE 52 N -3.88 1.29 0.07 2.71 -0.12 -0.45 -1.32 117.98 116.27 1sgr s PHE 52 Ca 0.31 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1sgr s PHE 52 Cb 0.02 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1sgr s PHE 52 CO 0.13 0.05 0.24 -0.51 -0.05 0.00 0.00 175.22 175.08 1sgr s LEU 53 N -1.22 4.34 0.00 -1.99 1.43 -0.03 -1.42 118.68 119.79 1sgr s LEU 53 Ca 0.02 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1sgr s LEU 53 Cb -0.08 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1sgr s LEU 53 CO 0.01 0.16 0.02 1.07 0.23 0.00 0.00 176.35 177.84 1sgr n THR 54 N 0.35 0.00 -2.42 5.49 5.66 -0.59 0.38 114.28 123.16 1sgr n THR 54 Ca -0.05 -0.07 -0.40 0.00 -3.05 0.00 0.00 64.05 60.48 1sgr n THR 54 Cb 0.51 0.04 -0.04 0.00 -1.55 0.00 0.00 70.33 69.30 1sgr n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgr s ALA 55 N -1.62 3.37 0.24 1.79 0.00 -1.26 -1.29 121.76 122.99 1sgr s ALA 55 Ca 0.01 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1sgr s ALA 55 Cb -0.00 -3.35 0.24 0.00 0.00 0.00 0.00 23.12 20.02 1sgr s ALA 55 CO 0.01 -0.26 1.86 0.78 0.00 0.00 0.00 175.76 178.15 1sgr h GLY 56 N 3.54 1.30 2.00 0.00 0.00 -1.64 -1.42 103.07 106.86 1sgr h GLY 56 Ca -0.47 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.26 1sgr h GLY 56 CO 0.66 0.58 0.00 1.12 0.00 0.00 0.00 176.54 178.89 1sgr h HIS 57 N 1.22 0.00 0.04 5.60 2.07 -1.87 -0.19 115.15 122.02 1sgr h HIS 57 Ca 0.30 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.49 1sgr h HIS 57 Cb 0.05 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.99 1sgr h HIS 57 CO 0.01 0.00 -1.94 0.00 -3.07 0.00 0.00 177.93 172.93 1sgr h THR 59 N 0.02 0.52 -2.31 0.00 1.35 -0.86 -3.40 112.91 108.23 1sgr h THR 59 Ca -0.38 -1.38 -0.55 0.00 -0.55 0.00 0.00 66.41 63.55 1sgr h THR 59 Cb 2.04 1.98 0.02 0.00 -1.73 0.00 0.00 68.15 70.46 1sgr h THR 59 CO 0.06 0.25 1.19 -0.67 -0.25 0.00 0.00 175.52 176.10 1sgr n ASP 60 N -3.28 4.00 0.00 5.36 2.03 -0.12 -1.56 116.55 122.99 1sgr n ASP 60 Ca 0.01 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.25 1sgr n ASP 60 Cb 0.53 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1sgr n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sgr n GLY 62 N 4.47 0.95 3.81 0.27 0.00 -1.26 -4.99 105.19 108.43 1sgr n GLY 62 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1sgr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgr s ALA 63 N -2.98 3.65 0.05 4.61 0.00 -0.60 -4.99 121.76 121.50 1sgr s ALA 63 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1sgr s ALA 63 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 1sgr s ALA 63 CO 0.00 0.69 -0.03 0.25 0.00 0.00 0.00 175.76 176.67 1sgr n THR 64 N 0.20 1.03 -3.95 0.00 -2.24 -1.26 -4.61 114.28 103.44 1sgr n THR 64 Ca -0.08 0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1sgr n THR 64 Cb 0.52 -1.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 1sgr n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sgr s THR 65 N -2.08 5.24 -0.03 4.28 2.01 -1.26 -1.00 115.64 122.80 1sgr s THR 65 Ca -0.03 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1sgr s THR 65 Cb 0.01 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1sgr s THR 65 CO 0.04 0.28 -0.22 0.26 -0.69 0.00 0.00 174.62 174.29 1sgr s TRP 66 N -1.35 2.46 0.27 4.92 0.52 -0.10 -4.22 118.94 121.44 1sgr s TRP 66 Ca 0.28 -0.34 0.08 0.00 0.02 0.00 0.00 56.10 56.14 1sgr s TRP 66 Cb -0.13 -1.54 -0.06 0.00 -1.15 0.00 0.00 33.47 30.60 1sgr s TRP 66 CO 0.20 0.05 -0.09 -1.58 0.02 0.00 0.00 176.95 175.54 1sgr s TRP 67 N -0.66 1.97 -2.03 -1.98 0.51 0.79 -0.67 118.94 116.87 1sgr s TRP 67 Ca 0.11 -0.62 0.26 0.00 -2.12 0.00 0.00 56.10 53.73 1sgr s TRP 67 Cb -0.10 -1.06 0.76 0.00 -0.81 0.00 0.00 33.47 32.26 1sgr s TRP 67 CO -0.00 0.36 1.57 0.00 -0.51 0.00 0.00 176.95 178.37 1sgr n ALA 68 N -0.56 2.95 -2.34 0.98 0.00 0.55 -1.42 120.51 120.67 1sgr n ALA 68 Ca -0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 1sgr n ALA 68 Cb 0.62 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 1sgr n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sgr s ASN 78 N -2.34 0.29 0.54 0.00 4.22 -1.26 -4.84 114.94 111.54 1sgr s ASN 78 Ca 0.28 -0.83 0.26 0.00 -2.14 0.00 0.00 52.86 50.43 1sgr s ASN 78 Cb 0.20 0.28 1.52 0.00 1.28 0.00 0.00 41.25 44.53 1sgr s ASN 78 CO 0.46 -0.68 2.14 0.77 -2.04 0.00 0.00 177.10 177.76 1sgr h SER 79 N 2.93 0.00 0.01 3.54 4.64 -1.99 0.23 113.55 122.92 1sgr h SER 79 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1sgr h SER 79 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1sgr h SER 79 CO 0.60 0.07 -0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1sgr n ALA 80 N -2.35 2.67 -3.68 5.18 0.00 -1.26 -4.89 120.51 116.19 1sgr n ALA 80 Ca -0.02 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 1sgr n ALA 80 Cb 0.17 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.21 1sgr n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sgr n ARG 81 N -0.84 -7.01 -0.01 0.00 3.00 0.07 -4.91 116.66 106.96 1sgr n ARG 81 Ca 0.23 0.75 0.09 0.00 -0.01 0.00 0.00 57.85 58.91 1sgr n ARG 81 Cb 0.15 -5.74 -0.13 0.00 0.00 0.00 0.00 32.46 26.74 1sgr n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1sgr n THR 82 N -4.80 0.00 -3.84 0.55 -2.24 -1.26 -4.82 114.28 97.87 1sgr n THR 82 Ca -0.03 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 1sgr n THR 82 Cb 0.57 0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 1sgr n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sgr s THR 83 N -3.18 3.56 0.35 4.28 2.01 -1.26 -5.05 115.64 116.34 1sgr s THR 83 Ca -0.06 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 60.91 1sgr s THR 83 Cb 0.11 -2.80 -0.10 0.00 0.01 0.00 0.00 72.50 69.72 1sgr s THR 83 CO 0.71 0.16 0.97 -0.69 -0.69 0.00 0.00 174.62 175.08 1sgr s VAL 84 N 1.44 4.10 -0.09 3.82 1.01 -1.26 -0.33 120.40 129.10 1sgr s VAL 84 Ca 0.02 1.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 1sgr s VAL 84 Cb -0.17 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1sgr s VAL 84 CO -0.00 0.06 -0.13 0.18 0.00 0.00 0.00 175.10 175.21 1sgr n LEU 85 N 0.29 0.84 0.00 3.92 4.77 0.16 -4.57 117.00 122.41 1sgr n LEU 85 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1sgr n LEU 85 Cb 0.50 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1sgr n LEU 85 CO 0.44 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1sgr n GLY 86 N 2.42 -0.79 3.25 -0.72 0.00 -1.16 -1.24 105.19 106.94 1sgr n GLY 86 Ca -0.18 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1sgr n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgr s THR 87 N -3.00 1.52 0.20 2.61 -4.23 -0.89 -0.92 115.64 110.92 1sgr s THR 87 Ca 0.00 -1.46 -0.33 0.00 -1.18 0.00 0.00 61.69 58.72 1sgr s THR 87 Cb 0.00 -1.40 -0.13 0.00 1.34 0.00 0.00 72.50 72.31 1sgr s THR 87 CO 0.00 -0.11 1.56 0.41 -0.54 0.00 0.00 174.62 175.94 1sgr n THR 88 N 1.15 0.31 0.03 3.99 -1.04 -0.17 -0.76 114.28 117.80 1sgr n THR 88 Ca -0.20 -0.08 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 1sgr n THR 88 Cb 0.54 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 1sgr n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sgr n SER 89 N 3.08 2.90 -3.53 8.00 7.64 -0.13 -4.82 113.62 126.77 1sgr n SER 89 Ca 0.15 -0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.84 1sgr n SER 89 Cb 0.31 1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 64.79 1sgr n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sgr s GLY 90 N -2.78 -0.43 -0.21 0.23 0.00 -1.02 -4.97 107.32 98.14 1sgr s GLY 90 Ca -0.02 1.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.99 1sgr s GLY 90 CO 0.33 0.71 0.51 -0.45 0.00 0.00 0.00 173.10 174.20 1sgr s SER 91 N -1.73 -0.66 -0.32 1.64 0.15 -1.26 -1.80 113.70 109.73 1sgr s SER 91 Ca -0.01 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1sgr s SER 91 Cb -0.01 1.00 0.10 0.00 -1.71 0.00 0.00 66.02 65.40 1sgr s SER 91 CO -0.02 -0.21 0.09 -0.55 1.20 0.00 0.00 173.24 173.76 1sgr s SER 93 N 1.36 4.15 -0.28 5.45 0.15 0.16 -4.97 113.70 119.73 1sgr s SER 93 Ca -0.09 -1.75 -0.23 0.00 0.70 0.00 0.00 55.95 54.59 1sgr s SER 93 Cb -0.07 -1.00 0.09 0.00 -1.71 0.00 0.00 66.02 63.34 1sgr s SER 93 CO -0.14 -0.41 0.82 0.12 1.20 0.00 0.00 173.24 174.83 1sgr s PHE 94 N 1.47 -0.74 0.00 3.44 5.36 -1.26 -1.91 117.98 124.34 1sgr s PHE 94 Ca 0.10 1.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 1sgr s PHE 94 Cb -0.18 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1sgr s PHE 94 CO -0.22 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 172.83 1sgr n PRO 99 N 2.94 0.82 0.00 10.12 -0.04 -1.26 -4.95 135.00 142.63 1sgr n PRO 99 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1sgr n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1sgr n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sgr n ASN 100 N -0.42 0.00 -2.73 3.54 3.02 0.80 -4.75 115.26 114.71 1sgr n ASN 100 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1sgr n ASN 100 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sgr n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sgr n ASN 101 N 3.99 1.26 -3.03 6.41 3.02 -1.26 -0.83 115.26 124.82 1sgr n ASN 101 Ca 0.00 -1.47 -0.16 0.00 -0.03 0.00 0.00 54.58 52.92 1sgr n ASN 101 Cb 0.00 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1sgr n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgr n ASP 102 N -2.14 -1.73 -3.77 6.41 -0.08 -1.14 -4.12 116.55 109.98 1sgr n ASP 102 Ca 0.00 -2.79 -0.13 0.00 -1.51 0.00 0.00 54.79 50.37 1sgr n ASP 102 Cb 0.16 0.59 -0.09 0.00 2.34 0.00 0.00 41.12 44.13 1sgr n ASP 102 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1sgr s TYR 103 N 0.18 -0.14 0.15 -0.67 -0.85 -0.80 -3.70 117.35 111.52 1sgr s TYR 103 Ca 0.32 0.18 -0.09 0.00 -0.52 0.00 0.00 57.07 56.97 1sgr s TYR 103 Cb 0.09 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 1sgr s TYR 103 CO -0.15 -0.39 0.27 0.20 -1.52 0.00 0.00 175.55 173.96 1sgr s GLY 104 N -1.41 0.44 0.01 5.49 0.00 -0.41 0.39 107.32 111.82 1sgr s GLY 104 Ca -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1sgr s GLY 104 CO 0.03 -0.84 0.01 -1.50 0.00 0.00 0.00 173.10 170.80 1sgr s ILE 105 N -3.95 0.07 -0.09 0.90 2.07 -0.74 -1.54 121.20 117.92 1sgr s ILE 105 Ca 0.16 -0.62 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1sgr s ILE 105 Cb 0.04 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.41 1sgr s ILE 105 CO -0.01 -0.34 -0.19 -0.69 -1.91 0.00 0.00 174.94 171.79 1sgr s VAL 106 N -1.02 1.71 -0.14 4.00 1.01 -0.51 -0.95 120.40 124.50 1sgr s VAL 106 Ca -0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1sgr s VAL 106 Cb -0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1sgr s VAL 106 CO -0.00 0.48 0.29 -0.60 0.00 0.00 0.00 175.10 175.27 1sgr s ARG 107 N 0.54 4.13 0.19 2.72 3.52 0.06 -1.35 118.95 128.76 1sgr s ARG 107 Ca -0.16 0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 1sgr s ARG 107 Cb -0.17 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 1sgr s ARG 107 CO 0.06 0.35 1.34 0.71 -0.81 0.00 0.00 175.30 176.94 1sgr s TYR 108 N 0.11 3.23 0.00 5.12 2.02 -0.57 -2.09 117.35 125.17 1sgr s TYR 108 Ca 0.17 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 1sgr s TYR 108 Cb -0.13 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 37.79 1sgr s TYR 108 CO 0.05 -2.04 0.01 0.25 -1.57 0.00 0.00 175.55 172.25 1sgr n THR 109 N 2.82 0.00 -3.04 -0.71 -2.24 -0.37 -4.88 114.28 105.86 1sgr n THR 109 Ca 0.07 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 1sgr n THR 109 Cb 0.42 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1sgr n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sgr s ASN 110 N -0.96 6.49 0.36 3.42 3.04 -1.03 -4.94 114.94 121.33 1sgr s ASN 110 Ca 0.00 0.27 0.19 0.00 0.04 0.00 0.00 52.86 53.36 1sgr s ASN 110 Cb 0.00 -2.36 0.36 0.00 -1.54 0.00 0.00 41.25 37.72 1sgr s ASN 110 CO 0.00 -0.65 1.59 0.71 -3.04 0.00 0.00 177.10 175.71 1sgr h THR 111 N 5.70 0.58 -0.00 -5.21 1.35 -1.93 -3.35 112.91 110.06 1sgr h THR 111 Ca -0.26 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1sgr h THR 111 Cb 1.10 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1sgr h THR 111 CO 0.87 0.31 -0.49 0.35 -0.25 0.00 0.00 175.52 176.30 1sgr n THR 112 N -3.24 0.00 -2.11 6.82 -2.24 -1.26 -4.96 114.28 107.29 1sgr n THR 112 Ca 0.02 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1sgr n THR 112 Cb 0.61 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1sgr n THR 112 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1sgr s ILE 113 N -2.00 2.73 0.13 2.28 2.07 -1.26 -4.92 121.20 120.24 1sgr s ILE 113 Ca 0.06 0.68 -0.31 0.00 -1.41 0.00 0.00 60.65 59.66 1sgr s ILE 113 Cb 0.09 -3.41 -0.09 0.00 0.13 0.00 0.00 42.46 39.18 1sgr s ILE 113 CO 0.45 0.12 1.57 -2.16 -1.91 0.00 0.00 174.94 173.00 1sgr s PRO 114 N -2.08 4.22 -0.87 3.50 0.05 -1.26 -4.89 135.00 133.66 1sgr s PRO 114 Ca 0.54 2.31 -0.00 0.00 0.05 0.00 0.00 61.00 63.90 1sgr s PRO 114 Cb -0.38 -3.30 0.22 0.00 0.05 0.00 0.00 34.50 31.10 1sgr s PRO 114 CO 0.49 -0.62 0.79 1.63 0.05 0.00 0.00 177.00 179.33 1sgr n LYS 115 N 4.45 2.64 -2.43 4.56 5.02 -1.26 0.14 118.16 131.28 1sgr n LYS 115 Ca 0.14 -4.50 -0.38 0.00 -2.02 0.00 0.00 58.31 51.55 1sgr n LYS 115 Cb 0.40 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 1sgr n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sgr s ASP 116 N -0.54 6.85 -0.12 4.39 1.01 -1.08 -4.91 116.67 122.27 1sgr s ASP 116 Ca 0.28 2.23 -0.05 0.00 0.71 0.00 0.00 52.55 55.72 1sgr s ASP 116 Cb -0.05 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.13 1sgr s ASP 116 CO -0.11 -0.44 3.19 0.61 0.21 0.00 0.00 175.17 178.63 1sgr n GLY 117 N 0.72 3.32 2.52 0.21 0.00 -1.26 -4.62 105.19 106.09 1sgr n GLY 117 Ca 0.03 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 1sgr n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgr n THR 118 N 1.92 0.00 -3.84 2.61 -2.24 -1.26 -2.72 114.28 108.75 1sgr n THR 118 Ca 0.40 -1.89 -0.30 0.00 -2.27 0.00 0.00 64.05 59.99 1sgr n THR 118 Cb 0.78 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.73 1sgr n THR 118 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sgr s VAL 119 N -2.98 1.23 0.00 2.28 1.01 -0.04 -1.74 120.40 120.17 1sgr s VAL 119 Ca 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1sgr s VAL 119 Cb 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1sgr s VAL 119 CO 0.20 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1sgr n GLY 120 N 4.73 2.51 1.57 4.51 0.00 -1.08 -0.43 105.19 117.01 1sgr n GLY 120 Ca -0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 1sgr n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgr n GLY 121 N 0.00 4.08 3.73 -0.02 0.00 -1.26 -4.85 105.19 106.86 1sgr n GLY 121 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1sgr n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgr s GLN 122 N -3.03 4.51 0.41 1.61 2.00 0.43 -5.02 119.66 120.56 1sgr s GLN 122 Ca 0.50 1.11 -0.23 0.00 -2.00 0.00 0.00 55.36 54.74 1sgr s GLN 122 Cb 0.41 -3.41 -0.09 0.00 0.80 0.00 0.00 33.01 30.72 1sgr s GLN 122 CO 0.09 0.14 1.01 0.34 -0.50 0.00 0.00 175.29 176.37 1sgr s ASP 123 N 0.43 6.84 -0.12 6.67 2.15 -1.26 -0.86 116.67 130.52 1sgr s ASP 123 Ca 0.42 1.91 0.03 0.00 0.43 0.00 0.00 52.55 55.33 1sgr s ASP 123 Cb -0.20 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.86 1sgr s ASP 123 CO 0.23 -0.43 -0.22 -0.63 -0.17 0.00 0.00 175.17 173.95 1sgr s ILE 124 N -1.81 1.99 0.00 4.11 -1.09 -1.10 -4.37 121.20 118.93 1sgr s ILE 124 Ca 0.59 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1sgr s ILE 124 Cb -0.18 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 1sgr s ILE 124 CO 0.22 0.54 0.08 0.35 -1.23 0.00 0.00 174.94 174.91 1sgr n THR 125 N 3.89 0.00 -3.76 2.92 -2.24 0.11 -4.60 114.28 110.60 1sgr n THR 125 Ca -0.20 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 1sgr n THR 125 Cb 0.52 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1sgr n THR 125 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sgr n SER 126 N -0.78 -2.14 -4.44 3.42 3.41 -1.08 -4.86 113.62 107.17 1sgr n SER 126 Ca 0.00 -2.52 -0.29 0.00 -0.26 0.00 0.00 58.87 55.80 1sgr n SER 126 Cb 0.00 3.57 -0.12 0.00 -0.26 0.00 0.00 64.21 67.40 1sgr n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgr s ALA 127 N -2.06 2.53 0.17 7.33 0.00 -1.26 -0.54 121.76 127.93 1sgr s ALA 127 Ca 0.16 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1sgr s ALA 127 Cb -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1sgr s ALA 127 CO 0.12 0.55 0.41 0.00 0.00 0.00 0.00 175.76 176.84 1sgr s ALA 128 N -1.18 -0.65 0.16 0.00 0.00 -0.76 -4.84 121.76 114.49 1sgr s ALA 128 Ca 0.17 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1sgr s ALA 128 Cb -0.10 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.75 1sgr s ALA 128 CO 0.08 -0.71 0.59 -0.80 0.00 0.00 0.00 175.76 174.92 1sgr s ASN 129 N -2.88 6.89 0.64 0.00 0.01 -1.26 -4.49 114.94 113.85 1sgr s ASN 129 Ca 0.10 1.16 -0.15 0.00 -0.71 0.00 0.00 52.86 53.26 1sgr s ASN 129 Cb 0.01 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 1sgr s ASN 129 CO -0.05 0.10 1.08 0.00 -1.51 0.00 0.00 177.10 176.73 1sgr s ALA 130 N -1.45 2.60 0.05 0.60 0.00 -1.26 -5.07 121.76 117.24 1sgr s ALA 130 Ca 0.38 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1sgr s ALA 130 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1sgr s ALA 130 CO 0.19 -1.08 -0.06 0.95 0.00 0.00 0.00 175.76 175.77 1sgr s THR 131 N -2.48 0.45 0.23 0.00 -4.23 -1.26 -5.08 115.64 103.28 1sgr s THR 131 Ca 0.64 -1.40 -0.32 0.00 -1.18 0.00 0.00 61.69 59.44 1sgr s THR 131 Cb -0.18 -0.98 -0.12 0.00 1.34 0.00 0.00 72.50 72.56 1sgr s THR 131 CO 0.41 -0.63 1.70 0.52 -0.54 0.00 0.00 174.62 176.08 1sgr n VAL 132 N 0.86 0.23 -0.25 2.29 0.31 -1.26 -2.09 118.33 118.43 1sgr n VAL 132 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1sgr n VAL 132 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1sgr n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sgr n GLY 133 N 3.58 0.96 3.76 2.92 0.00 -0.41 -5.00 105.19 110.99 1sgr n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1sgr n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sgr s MET 134 N -0.57 4.51 -0.05 1.61 0.00 -0.89 -4.72 119.30 119.19 1sgr s MET 134 Ca 0.00 1.98 -0.26 0.00 0.00 0.00 0.00 55.69 57.41 1sgr s MET 134 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 34.83 31.65 1sgr s MET 134 CO 0.00 0.02 0.81 0.00 0.00 0.00 0.00 175.02 175.85 1sgr s ALA 135 N -1.01 3.29 0.21 4.11 0.00 -1.26 -1.22 121.76 125.87 1sgr s ALA 135 Ca 0.47 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1sgr s ALA 135 Cb -0.35 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1sgr s ALA 135 CO 0.45 -0.20 0.06 0.14 0.00 0.00 0.00 175.76 176.21 1sgr s VAL 136 N 0.99 0.53 -0.00 0.00 -7.23 -0.02 -4.70 120.40 109.96 1sgr s VAL 136 Ca 0.43 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1sgr s VAL 136 Cb -0.19 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 1sgr s VAL 136 CO 0.21 -0.22 0.03 -0.89 -0.31 0.00 0.00 175.10 173.92 1sgr s THR 137 N -3.77 0.05 0.14 5.32 2.01 0.70 -1.46 115.64 118.63 1sgr s THR 137 Ca 0.31 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.02 1sgr s THR 137 Cb 0.07 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1sgr s THR 137 CO 0.09 -0.21 -0.22 -0.60 -0.69 0.00 0.00 174.62 172.98 1sgr s ARG 138 N -0.65 1.29 -0.02 4.92 3.52 0.56 0.22 118.95 128.80 1sgr s ARG 138 Ca -0.07 -1.33 0.03 0.00 -0.13 0.00 0.00 55.73 54.23 1sgr s ARG 138 Cb -0.04 -1.56 -0.00 0.00 -1.56 0.00 0.00 34.95 31.78 1sgr s ARG 138 CO -0.00 0.35 -0.11 0.50 -0.81 0.00 0.00 175.30 175.23 1sgr s ARG 139 N -2.29 0.99 0.13 5.12 3.52 -1.04 -0.32 118.95 125.06 1sgr s ARG 139 Ca 0.13 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.25 1sgr s ARG 139 Cb -0.09 -0.94 -0.00 0.00 -1.56 0.00 0.00 34.95 32.36 1sgr s ARG 139 CO 0.06 0.20 0.25 0.20 -0.81 0.00 0.00 175.30 175.21 1sgr s GLY 140 N -0.09 0.26 0.44 8.12 0.00 -0.56 -3.63 107.32 111.85 1sgr s GLY 140 Ca 0.01 -0.71 0.29 0.00 0.00 0.00 0.00 44.72 44.31 1sgr s GLY 140 CO 0.00 -0.78 1.83 1.48 0.00 0.00 0.00 173.10 175.63 1sgr h SER 141 N 2.61 0.00 0.00 1.64 4.64 -1.63 -0.73 113.55 120.09 1sgr h SER 141 Ca -0.33 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.64 1sgr h SER 141 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1sgr h SER 141 CO 0.51 0.00 -1.95 0.41 -0.87 0.00 0.00 176.83 174.94 1sgr n THR 142 N -2.87 1.53 1.08 2.95 -1.04 -1.26 -4.65 114.28 110.03 1sgr n THR 142 Ca 0.02 -0.22 0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1sgr n THR 142 Cb 0.36 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 67.03 1sgr n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sgr n THR 143 N -4.34 0.00 -4.36 12.58 -2.24 -1.24 -5.06 114.28 109.62 1sgr n THR 143 Ca -0.44 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1sgr n THR 143 Cb 0.79 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1sgr n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgr n GLY 156 N 1.39 1.20 3.64 3.38 0.00 -0.28 -4.83 105.19 109.69 1sgr n GLY 156 Ca 0.11 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1sgr n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgr s THR 157 N 0.00 4.55 -0.00 2.61 2.01 -1.26 -1.50 115.64 122.05 1sgr s THR 157 Ca 0.00 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 1sgr s THR 157 Cb 0.00 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 1sgr s THR 157 CO 0.00 0.51 0.04 -1.00 -0.69 0.00 0.00 174.62 173.49 1sgr s HIS 158 N -0.04 0.08 0.41 4.92 3.76 0.57 -4.96 115.29 120.02 1sgr s HIS 158 Ca 0.05 -0.16 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 1sgr s HIS 158 Cb -0.12 -0.07 -0.08 0.00 1.11 0.00 0.00 32.58 33.42 1sgr s HIS 158 CO 0.01 -0.14 0.01 -1.12 -0.85 0.00 0.00 174.74 172.66 1sgr s SER 159 N -0.81 3.90 0.00 1.40 0.01 -1.26 -0.32 113.70 116.62 1sgr s SER 159 Ca -0.09 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1sgr s SER 159 Cb -0.05 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1sgr s SER 159 CO -0.00 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1sgr n GLY 160 N -0.98 -0.71 3.12 3.44 0.00 -0.53 -4.72 105.19 104.81 1sgr n GLY 160 Ca -0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 1sgr n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgr s SER 161 N -4.00 0.35 0.05 1.61 1.04 -1.26 -0.84 113.70 110.64 1sgr s SER 161 Ca 0.00 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 1sgr s SER 161 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 1sgr s SER 161 CO 0.00 -0.62 1.08 -0.69 0.98 0.00 0.00 173.24 173.99 1sgr s VAL 162 N -3.69 4.41 -0.03 5.02 1.01 -0.36 -2.21 120.40 124.56 1sgr s VAL 162 Ca 0.04 1.78 0.12 0.00 0.00 0.00 0.00 61.98 63.93 1sgr s VAL 162 Cb 0.06 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 1sgr s VAL 162 CO -0.09 0.17 0.25 0.35 0.00 0.00 0.00 175.10 175.77 1sgr n THR 163 N 3.66 0.08 -3.44 3.92 -2.24 0.14 -1.29 114.28 115.11 1sgr n THR 163 Ca 0.07 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1sgr n THR 163 Cb 0.49 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1sgr n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgr s ALA 164 N -2.80 -1.65 0.37 6.98 0.00 -1.13 -4.90 121.76 118.62 1sgr s ALA 164 Ca -0.05 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1sgr s ALA 164 Cb 0.07 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.89 1sgr s ALA 164 CO 0.51 -0.74 0.01 -0.51 0.00 0.00 0.00 175.76 175.03 1sgr s LEU 165 N -2.65 2.62 -1.49 0.00 1.43 -1.26 -0.62 118.68 116.70 1sgr s LEU 165 Ca 0.02 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 51.65 1sgr s LEU 165 Cb -0.01 -0.73 0.08 0.00 0.03 0.00 0.00 46.19 45.56 1sgr s LEU 165 CO -0.12 -0.46 0.84 -3.20 0.23 0.00 0.00 176.35 173.64 1sgr n ASN 166 N -0.83 -4.68 -4.89 2.29 4.05 -0.81 -4.90 115.26 105.48 1sgr n ASN 166 Ca -0.04 -0.65 -0.30 0.00 0.45 0.00 0.00 54.58 54.03 1sgr n ASN 166 Cb 0.66 -3.77 -0.04 0.00 1.23 0.00 0.00 39.78 37.86 1sgr n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sgr s ALA 167 N -3.20 3.56 -0.15 5.20 0.00 0.60 -4.28 121.76 123.49 1sgr s ALA 167 Ca 0.58 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 1sgr s ALA 167 Cb -0.29 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1sgr s ALA 167 CO 0.72 0.33 0.10 0.99 0.00 0.00 0.00 175.76 177.89 1sgr s THR 168 N -2.00 5.12 -0.10 0.00 2.01 -1.26 -1.62 115.64 117.78 1sgr s THR 168 Ca 0.46 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.55 1sgr s THR 168 Cb -0.11 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1sgr s THR 168 CO 0.26 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.92 1sgr s VAL 169 N -0.24 1.18 -0.35 3.82 1.01 -0.75 -5.00 120.40 120.06 1sgr s VAL 169 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1sgr s VAL 169 Cb -0.12 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1sgr s VAL 169 CO 0.01 0.38 0.16 0.21 0.00 0.00 0.00 175.10 175.86 1sgr s ASN 170 N 1.26 5.54 0.00 3.32 3.84 -1.26 -0.57 114.94 127.07 1sgr s ASN 170 Ca -0.03 -0.93 0.24 0.00 0.21 0.00 0.00 52.86 52.36 1sgr s ASN 170 Cb -0.14 -1.97 0.96 0.00 -0.55 0.00 0.00 41.25 39.56 1sgr s ASN 170 CO -0.04 -0.32 1.68 -1.22 -2.79 0.00 0.00 177.10 174.41 1sgr n TYR 171 N 4.94 0.10 0.00 0.43 4.01 -0.05 -5.00 117.16 121.59 1sgr n TYR 171 Ca -0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1sgr n TYR 171 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1sgr n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgr n GLY 172 N 1.11 0.16 3.09 2.72 0.00 -1.23 -4.83 105.19 106.21 1sgr n GLY 172 Ca 0.18 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 1sgr n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgr n GLY 173 N 0.34 -0.49 1.75 -0.02 0.00 -1.26 0.16 105.19 105.67 1sgr n GLY 173 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sgr n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgr n GLY 174 N -1.03 0.79 3.42 -0.02 0.00 -1.26 -4.98 105.19 102.11 1sgr n GLY 174 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1sgr n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgr s ASP 175 N -2.83 6.71 0.01 1.61 1.01 0.41 -4.94 116.67 118.66 1sgr s ASP 175 Ca 0.00 -2.29 0.06 0.00 0.71 0.00 0.00 52.55 51.03 1sgr s ASP 175 Cb 0.00 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1sgr s ASP 175 CO 0.00 -0.92 -0.18 -0.69 0.21 0.00 0.00 175.17 173.60 1sgr s VAL 176 N 1.97 2.80 0.05 -1.27 1.01 -1.26 -0.87 120.40 122.84 1sgr s VAL 176 Ca 0.30 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1sgr s VAL 176 Cb -0.06 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1sgr s VAL 176 CO -0.09 0.43 -0.21 0.68 0.00 0.00 0.00 175.10 175.92 1sgr s VAL 177 N -0.84 2.57 0.29 2.92 -7.23 0.27 -0.14 120.40 118.23 1sgr s VAL 177 Ca 0.13 -1.30 0.09 0.00 -1.81 0.00 0.00 61.98 59.09 1sgr s VAL 177 Cb -0.10 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 1sgr s VAL 177 CO 0.03 0.32 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.72 1sgr s TYR 178 N -0.91 2.13 -0.13 2.82 2.02 -0.01 -1.81 117.35 121.45 1sgr s TYR 178 Ca 0.14 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1sgr s TYR 178 Cb -0.10 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1sgr s TYR 178 CO 0.05 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 1sgr n GLY 179 N -0.63 0.47 3.85 0.71 0.00 -0.94 -4.84 105.19 103.80 1sgr n GLY 179 Ca -0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1sgr n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sgr s MET 180 N -2.24 3.98 -0.10 1.61 -1.94 -0.64 -4.36 119.30 115.61 1sgr s MET 180 Ca 0.00 0.51 -0.25 0.00 -1.71 0.00 0.00 55.69 54.24 1sgr s MET 180 Cb 0.00 -2.83 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 1sgr s MET 180 CO 0.00 0.41 0.81 0.42 -0.01 0.00 0.00 175.02 176.65 1sgr s ILE 181 N -1.58 4.94 -0.00 2.53 1.01 0.01 -0.29 121.20 127.81 1sgr s ILE 181 Ca 0.42 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.70 1sgr s ILE 181 Cb -0.14 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1sgr s ILE 181 CO 0.20 0.13 0.13 -0.60 0.00 0.00 0.00 174.94 174.80 1sgr s ARG 182 N 1.44 3.24 0.26 2.79 3.52 0.21 -1.00 118.95 129.41 1sgr s ARG 182 Ca 0.41 -0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 1sgr s ARG 182 Cb -0.18 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1sgr s ARG 182 CO 0.17 0.66 0.40 0.95 -0.81 0.00 0.00 175.30 176.67 1sgr s THR 183 N -1.26 0.00 -0.44 4.11 -4.23 -0.62 -0.68 115.64 112.51 1sgr s THR 183 Ca 0.25 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 1sgr s THR 183 Cb -0.12 -2.38 0.62 0.00 1.34 0.00 0.00 72.50 71.95 1sgr s THR 183 CO 0.16 0.00 1.85 -0.46 -0.54 0.00 0.00 174.62 175.63 1sgr n ASN 184 N -0.61 3.96 -4.83 3.99 0.23 -0.94 -2.52 115.26 114.55 1sgr n ASN 184 Ca -0.00 -3.66 -0.38 0.00 -0.53 0.00 0.00 54.58 50.01 1sgr n ASN 184 Cb 0.63 -0.81 -0.06 0.00 -2.08 0.00 0.00 39.78 37.45 1sgr n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sgr s VAL 190 N -3.47 4.87 0.65 3.53 1.01 -1.26 -4.61 120.40 121.12 1sgr s VAL 190 Ca 0.56 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 1sgr s VAL 190 Cb 0.47 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1sgr s VAL 190 CO 0.08 0.51 0.96 0.00 0.00 0.00 0.00 175.10 176.65 1sgr s ALA 192 N -3.12 -1.73 0.17 0.00 0.00 -1.26 -4.93 121.76 110.88 1sgr s ALA 192 Ca 0.57 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 1sgr s ALA 192 Cb -0.11 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1sgr s ALA 192 CO 0.45 -0.60 0.13 -1.21 0.00 0.00 0.00 175.76 174.54 1sgr s GLU 192 N -2.66 1.10 0.01 0.00 2.02 -1.26 -4.60 118.70 113.31 1sgr s GLU 192 Ca -0.01 -1.49 -0.37 0.00 0.02 0.00 0.00 54.97 53.12 1sgr s GLU 192 Cb -0.01 0.28 -0.16 0.00 0.10 0.00 0.00 34.13 34.34 1sgr s GLU 192 CO -0.05 -0.35 1.47 -2.30 0.02 0.00 0.00 175.26 174.06 1sgr n PRO 192 N -0.19 1.31 0.00 0.39 -0.02 -1.26 -1.46 135.00 133.77 1sgr n PRO 192 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1sgr n PRO 192 Cb 0.65 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1sgr n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgr n GLY 193 N 3.04 2.81 0.12 -1.23 0.00 -1.26 -4.71 105.19 103.97 1sgr n GLY 193 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1sgr n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sgr h ASP 194 N 0.00 0.00 -1.76 1.61 3.32 -1.57 -3.22 116.42 114.80 1sgr h ASP 194 Ca 0.00 -0.03 -0.66 0.00 0.02 0.00 0.00 57.03 56.37 1sgr h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1sgr h ASP 194 CO 0.00 0.01 0.07 -1.20 -1.72 0.00 0.00 179.24 176.41 1sgr n SER 195 N -2.42 0.71 0.00 6.45 7.64 -1.26 -1.25 113.62 123.48 1sgr n SER 195 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1sgr n SER 195 Cb 0.45 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1sgr n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgr n GLY 196 N 1.82 1.46 3.82 0.23 0.00 -0.11 -0.23 105.19 112.18 1sgr n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1sgr n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgr s GLY 197 N -2.00 1.59 0.42 -0.02 0.00 -0.38 -2.64 107.32 104.29 1sgr s GLY 197 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 1sgr s GLY 197 CO 0.00 0.02 1.02 2.56 0.00 0.00 0.00 173.10 176.70 1sgr s PRO 198 N -5.33 4.11 -0.15 2.90 0.04 -1.24 0.27 135.00 135.60 1sgr s PRO 198 Ca 0.63 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1sgr s PRO 198 Cb -0.14 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1sgr s PRO 198 CO 0.52 -0.17 -0.16 -1.17 0.04 0.00 0.00 177.00 176.07 1sgr s LEU 199 N -2.93 2.43 0.23 -3.56 2.96 0.17 -2.51 118.68 115.46 1sgr s LEU 199 Ca 0.61 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1sgr s LEU 199 Cb -0.18 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1sgr s LEU 199 CO 0.22 0.09 0.23 -0.72 -1.32 0.00 0.00 176.35 174.84 1sgr s TYR 200 N 0.80 1.06 -0.32 5.38 1.13 0.13 -0.48 117.35 125.05 1sgr s TYR 200 Ca -0.06 -1.28 -0.02 0.00 -1.41 0.00 0.00 57.07 54.31 1sgr s TYR 200 Cb -0.15 -0.41 0.11 0.00 -1.10 0.00 0.00 41.96 40.40 1sgr s TYR 200 CO -0.00 -0.75 0.13 0.45 -2.51 0.00 0.00 175.55 172.86 1sgr s SER 201 N -3.16 3.77 0.19 -0.18 0.15 0.84 -0.22 113.70 115.10 1sgr s SER 201 Ca 0.36 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1sgr s SER 201 Cb 0.05 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1sgr s SER 201 CO 0.13 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1sgr n GLY 202 N 4.83 0.80 1.42 9.45 0.00 -1.26 -2.69 105.19 117.73 1sgr n GLY 202 Ca -0.02 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.25 1sgr n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgr n THR 207 N 0.00 1.61 -3.56 2.61 -2.24 -1.26 -4.88 114.28 106.56 1sgr n THR 207 Ca 0.00 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.40 1sgr n THR 207 Cb 0.00 0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1sgr n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sgr s ARG 208 N -1.87 4.02 0.09 -0.78 0.52 -1.10 0.08 118.95 119.92 1sgr s ARG 208 Ca 0.43 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 1sgr s ARG 208 Cb 0.28 -3.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.09 1sgr s ARG 208 CO 0.20 -0.10 1.15 0.00 0.02 0.00 0.00 175.30 176.57 1sgr s ALA 209 N 1.54 3.36 0.00 2.13 0.00 0.30 -0.11 121.76 128.99 1sgr s ALA 209 Ca 0.09 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1sgr s ALA 209 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1sgr s ALA 209 CO 0.08 -0.35 0.00 -0.89 0.00 0.00 0.00 175.76 174.60 1sgr n ILE 210 N 3.44 0.00 -3.86 0.00 2.08 0.36 -1.83 119.36 119.56 1sgr n ILE 210 Ca 0.07 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.29 1sgr n ILE 210 Cb 0.47 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 1sgr n ILE 210 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1sgr s GLY 211 N -3.51 0.42 -0.05 7.39 0.00 -0.45 -1.20 107.32 109.93 1sgr s GLY 211 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1sgr s GLY 211 CO 0.00 -0.36 -0.18 1.08 0.00 0.00 0.00 173.10 173.64 1sgr s LEU 212 N -3.06 1.92 0.12 0.66 1.43 -0.31 -0.66 118.68 118.78 1sgr s LEU 212 Ca 0.17 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1sgr s LEU 212 Cb -0.05 -1.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 1sgr s LEU 212 CO 0.12 0.15 1.58 -0.89 0.23 0.00 0.00 176.35 177.53 1sgr s THR 213 N 0.08 2.88 -0.13 5.49 2.01 0.14 -0.95 115.64 125.15 1sgr s THR 213 Ca -0.05 0.53 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1sgr s THR 213 Cb -0.12 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 1sgr s THR 213 CO 0.03 0.02 -0.13 -0.24 -0.69 0.00 0.00 174.62 173.61 1sgr n SER 214 N 4.62 2.35 -3.72 3.53 2.88 0.10 -0.94 113.62 122.45 1sgr n SER 214 Ca 0.14 0.01 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1sgr n SER 214 Cb 0.40 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1sgr n SER 214 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sgr s GLY 215 N -5.25 -0.39 0.00 0.46 0.00 -1.01 -4.89 107.32 96.24 1sgr s GLY 215 Ca -0.18 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1sgr s GLY 215 CO 0.28 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.55 1sgr n GLY 216 N -0.67 -0.66 3.40 0.20 0.00 -1.26 0.08 105.19 106.27 1sgr n GLY 216 Ca -0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1sgr n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgr s SER 217 N -4.00 0.00 0.00 1.61 1.04 -0.19 -5.00 113.70 107.16 1sgr s SER 217 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1sgr s SER 217 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1sgr s SER 217 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1sgr n GLY 218 N -0.27 -1.79 3.82 7.32 0.00 -1.26 -1.96 105.19 111.05 1sgr n GLY 218 Ca -0.05 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 1sgr n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgr s ASN 219 N -4.00 -0.06 0.04 1.61 2.20 -1.07 -4.84 114.94 108.82 1sgr s ASN 219 Ca 0.00 -1.00 0.27 0.00 -0.94 0.00 0.00 52.86 51.20 1sgr s ASN 219 Cb 0.00 0.81 0.94 0.00 -2.00 0.00 0.00 41.25 41.00 1sgr s ASN 219 CO 0.00 -1.58 1.74 0.00 -2.94 0.00 0.00 177.10 174.32 1sgr h SER 221 N 0.00 0.25 0.15 0.00 0.87 -2.00 -3.37 113.55 109.45 1sgr h SER 221 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 1sgr h SER 221 Cb 0.55 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1sgr h SER 221 CO 0.00 1.41 -0.85 -1.54 -0.53 0.00 0.00 176.83 175.31 1sgr n SER 222 N -4.21 0.85 0.00 6.23 3.41 -1.24 -5.09 113.62 113.57 1sgr n SER 222 Ca -0.20 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1sgr n SER 222 Cb 0.75 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1sgr n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgr n GLY 223 N 1.50 2.78 0.53 5.00 0.00 0.91 -4.92 105.19 110.99 1sgr n GLY 223 Ca 0.04 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 1sgr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgr n GLY 224 N 0.72 2.07 3.06 -0.02 0.00 -1.21 -2.61 105.19 107.21 1sgr n GLY 224 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1sgr n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgr s THR 225 N -2.79 1.22 0.02 2.61 2.01 -0.83 -4.19 115.64 113.69 1sgr s THR 225 Ca 0.03 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1sgr s THR 225 Cb -0.01 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1sgr s THR 225 CO 0.02 0.37 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.24 1sgr s THR 226 N 0.43 1.50 0.02 -0.82 2.01 -1.05 -1.02 115.64 116.72 1sgr s THR 226 Ca -0.11 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1sgr s THR 226 Cb -0.14 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1sgr s THR 226 CO 0.03 0.24 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.67 1sgr s PHE 227 N -0.67 2.58 0.03 4.92 0.08 0.11 -1.59 117.98 123.43 1sgr s PHE 227 Ca 0.06 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.91 1sgr s PHE 227 Cb -0.08 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1sgr s PHE 227 CO 0.01 0.23 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.18 1sgr s PHE 228 N -0.88 0.99 -0.04 0.36 0.40 -0.17 -0.72 117.98 117.91 1sgr s PHE 228 Ca 0.14 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.84 1sgr s PHE 228 Cb -0.10 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 1sgr s PHE 228 CO 0.04 0.00 0.99 -1.14 0.70 0.00 0.00 175.22 175.81 1sgr s GLN 229 N -1.02 4.51 0.11 0.44 2.00 -0.13 -0.81 119.66 124.77 1sgr s GLN 229 Ca -0.00 1.41 -0.31 0.00 -2.00 0.00 0.00 55.36 54.45 1sgr s GLN 229 Cb -0.07 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.15 1sgr s GLN 229 CO 0.01 -0.15 1.71 -2.14 -0.50 0.00 0.00 175.29 174.21 1sgr s PRO 230 N 1.40 4.17 0.51 1.67 0.02 -1.26 -1.17 135.00 140.35 1sgr s PRO 230 Ca 0.50 2.45 0.30 0.00 0.02 0.00 0.00 61.00 64.27 1sgr s PRO 230 Cb -0.20 -3.50 1.22 0.00 0.02 0.00 0.00 34.50 32.05 1sgr s PRO 230 CO 0.24 -0.75 1.94 -0.24 -0.33 0.00 0.00 177.00 177.85 1sgr h VAL 231 N 4.58 0.21 -0.22 3.83 3.04 -1.46 -3.11 116.25 123.12 1sgr h VAL 231 Ca -0.44 -0.71 -0.03 0.00 -1.01 0.00 0.00 66.70 64.51 1sgr h VAL 231 Cb 1.21 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1sgr h VAL 231 CO 0.94 0.08 0.00 0.71 -1.01 0.00 0.00 177.57 178.29 1sgr h THR 232 N 0.00 1.14 -0.37 3.17 1.35 -1.85 -0.99 112.91 115.35 1sgr h THR 232 Ca -0.00 -0.52 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 1sgr h THR 232 Cb 0.58 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1sgr h THR 232 CO 0.01 0.18 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.03 1sgr h GLU 233 N 0.31 0.64 -0.03 4.72 5.08 -1.94 -1.50 114.58 121.86 1sgr h GLU 233 Ca 0.07 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1sgr h GLU 233 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sgr h GLU 233 CO 0.00 0.72 -0.77 0.00 -1.00 0.00 0.00 179.01 177.97 1sgr h ALA 234 N 1.31 0.64 -0.23 3.43 0.00 -1.32 -1.43 119.26 121.67 1sgr h ALA 234 Ca 0.11 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1sgr h ALA 234 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1sgr h ALA 234 CO 0.03 0.83 -0.17 -0.07 0.00 0.00 0.00 179.25 179.87 1sgr h LEU 235 N 0.15 0.38 0.11 0.00 3.38 -1.03 -1.93 115.31 116.37 1sgr h LEU 235 Ca -0.03 -0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.56 1sgr h LEU 235 Cb 1.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1sgr h LEU 235 CO 0.12 0.57 -1.34 0.58 0.09 0.00 0.00 178.44 178.46 1sgr h VAL 235 N 0.36 1.37 -1.00 1.22 2.07 -1.12 -0.73 116.25 118.41 1sgr h VAL 235 Ca 0.06 -2.99 0.04 0.00 0.82 0.00 0.00 66.70 64.64 1sgr h VAL 235 Cb 0.52 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 1sgr h VAL 235 CO 0.03 0.86 0.66 0.00 0.02 0.00 0.00 177.57 179.14 1sgr h ALA 236 N 0.60 1.35 -0.19 1.67 0.00 -1.05 -2.68 119.26 118.97 1sgr h ALA 236 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sgr h ALA 236 Cb 1.97 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1sgr h ALA 236 CO 0.18 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.62 1sgr n TYR 237 N -4.45 0.23 -2.93 0.00 4.01 -0.74 -4.96 117.16 108.31 1sgr n TYR 237 Ca 0.14 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1sgr n TYR 237 Cb 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1sgr n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgr n GLY 238 N 1.35 -0.09 3.49 2.72 0.00 -0.35 -5.01 105.19 107.30 1sgr n GLY 238 Ca 0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1sgr n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sgr s VAL 239 N -3.05 1.30 0.06 1.61 -7.23 -0.79 -4.75 120.40 107.55 1sgr s VAL 239 Ca 0.27 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1sgr s VAL 239 Cb -0.12 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1sgr s VAL 239 CO 0.33 0.00 0.12 -0.94 -0.31 0.00 0.00 175.10 174.31 1sgr s SER 240 N -3.54 0.18 0.71 4.85 1.04 -0.73 -4.64 113.70 111.58 1sgr s SER 240 Ca 0.35 -0.62 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 1sgr s SER 240 Cb 0.09 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1sgr s SER 240 CO 0.16 -0.61 1.07 0.68 0.98 0.00 0.00 173.24 175.52 1sgr s VAL 241 N -3.23 3.82 0.00 5.02 -7.23 -1.26 -0.48 120.40 117.03 1sgr s VAL 241 Ca 0.00 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1sgr s VAL 241 Cb 0.02 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1sgr s VAL 241 CO -0.08 -0.77 0.00 0.00 -0.31 0.00 0.00 175.10 173.94