#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjr s ALA 41 N 0.00 -1.90 0.00 -5.12 0.00 -1.26 -5.03 121.76 108.45 1sjr s ALA 41 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1sjr s ALA 41 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1sjr s ALA 41 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1sjr n GLY 42 N -0.26 1.99 0.00 0.00 0.00 -1.26 -5.15 105.19 100.51 1sjr n GLY 42 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1sjr n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sjr n GLN 43 N -0.07 0.34 -3.40 1.61 7.27 -1.26 -5.10 117.38 116.77 1sjr n GLN 43 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 1sjr n GLN 43 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1sjr n GLN 43 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1sjr s SER 44 N -1.00 1.71 -1.06 1.69 0.15 -1.26 -5.05 113.70 108.88 1sjr s SER 44 Ca 0.00 -0.98 -0.22 0.00 0.70 0.00 0.00 55.95 55.45 1sjr s SER 44 Cb 0.00 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1sjr s SER 44 CO 0.00 -0.37 1.62 -2.16 1.20 0.00 0.00 173.24 173.53 1sjr s PRO 45 N 2.14 3.43 -0.18 5.44 0.04 -1.26 -4.90 135.00 139.70 1sjr s PRO 45 Ca 0.11 -1.15 -0.05 0.00 0.04 0.00 0.00 61.00 59.95 1sjr s PRO 45 Cb -0.14 -5.34 0.07 0.00 0.04 0.00 0.00 34.50 29.13 1sjr s PRO 45 CO -0.27 -2.52 0.11 0.08 0.04 0.00 0.00 177.00 174.44 1sjr s VAL 46 N 6.07 -0.13 0.15 -0.36 1.01 -1.26 -1.29 120.40 124.58 1sjr s VAL 46 Ca 0.53 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1sjr s VAL 46 Cb -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1sjr s VAL 46 CO -0.04 -0.29 0.22 -0.76 0.00 0.00 0.00 175.10 174.24 1sjr s LEU 47 N 2.17 4.15 -0.26 3.92 1.43 -0.67 0.98 118.68 130.39 1sjr s LEU 47 Ca 0.03 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1sjr s LEU 47 Cb -0.16 -2.74 0.08 0.00 0.03 0.00 0.00 46.19 43.40 1sjr s LEU 47 CO -0.11 0.07 0.01 -0.60 0.23 0.00 0.00 176.35 175.95 1sjr s ARG 48 N -3.12 1.28 0.23 1.70 3.52 0.32 -1.71 118.95 121.16 1sjr s ARG 48 Ca 0.33 -1.08 -0.22 0.00 -0.13 0.00 0.00 55.73 54.64 1sjr s ARG 48 Cb -0.11 -2.49 -0.08 0.00 -1.56 0.00 0.00 34.95 30.71 1sjr s ARG 48 CO 0.27 -0.74 0.77 0.42 -0.81 0.00 0.00 175.30 175.20 1sjr s ILE 49 N 1.43 4.48 -0.07 4.11 1.01 0.25 -2.23 121.20 130.18 1sjr s ILE 49 Ca 0.01 1.43 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 1sjr s ILE 49 Cb -0.18 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.40 1sjr s ILE 49 CO -0.11 0.24 0.07 -0.63 0.00 0.00 0.00 174.94 174.52 1sjr s ILE 50 N -1.48 -0.12 -0.10 2.92 1.01 0.57 0.07 121.20 124.07 1sjr s ILE 50 Ca 0.43 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 61.26 1sjr s ILE 50 Cb -0.18 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1sjr s ILE 50 CO 0.22 0.10 0.34 -0.69 0.00 0.00 0.00 174.94 174.91 1sjr s VAL 51 N 2.17 5.22 0.22 2.92 1.01 -1.01 -0.27 120.40 130.66 1sjr s VAL 51 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1sjr s VAL 51 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1sjr s VAL 51 CO -0.04 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.91 1sjr n GLU 52 N 2.85 1.46 -3.61 2.72 1.02 -0.27 -3.41 120.64 121.40 1sjr n GLU 52 Ca -0.13 -1.61 -0.22 0.00 -0.02 0.00 0.00 57.16 55.18 1sjr n GLU 52 Cb 0.52 0.42 0.01 0.00 -0.02 0.00 0.00 31.44 32.38 1sjr n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sjr n ASN 53 N -1.16 -5.63 -4.57 1.62 3.02 -1.26 -3.90 115.26 103.38 1sjr n ASN 53 Ca -0.09 -0.79 -0.56 0.00 -0.03 0.00 0.00 54.58 53.11 1sjr n ASN 53 Cb 0.28 -2.98 -0.08 0.00 -0.61 0.00 0.00 39.78 36.39 1sjr n ASN 53 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sjr n LEU 54 N -3.03 2.12 0.09 3.41 4.32 -1.26 -4.20 117.00 118.45 1sjr n LEU 54 Ca -0.17 0.80 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 1sjr n LEU 54 Cb 0.61 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.26 1sjr n LEU 54 CO 0.63 -0.56 0.00 0.33 -1.22 0.00 0.00 177.39 176.57 1sjr n PHE 55 N 7.16 -2.09 -4.98 -1.77 -0.00 -1.26 -5.06 117.46 109.47 1sjr n PHE 55 Ca 0.35 0.44 -0.32 0.00 -0.00 0.00 0.00 57.45 57.92 1sjr n PHE 55 Cb 0.14 1.12 -0.14 0.00 -0.00 0.00 0.00 39.48 40.60 1sjr n PHE 55 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1sjr s TYR 56 N -2.00 2.54 0.48 -5.13 2.02 -1.26 -5.11 117.35 108.88 1sjr s TYR 56 Ca 0.00 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 1sjr s TYR 56 Cb 0.00 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1sjr s TYR 56 CO 0.00 0.13 0.97 -1.25 -1.57 0.00 0.00 175.55 173.82 1sjr s PRO 57 N -0.86 4.06 0.36 -1.71 0.04 -1.26 -4.97 135.00 130.67 1sjr s PRO 57 Ca 0.12 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1sjr s PRO 57 Cb -0.10 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1sjr s PRO 57 CO 0.01 -0.17 0.49 0.08 0.04 0.00 0.00 177.00 177.46 1sjr s VAL 58 N -2.43 0.00 0.00 -0.36 1.01 -1.26 -5.19 120.40 112.17 1sjr s VAL 58 Ca 0.60 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1sjr s VAL 58 Cb -0.10 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1sjr s VAL 58 CO 0.24 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.69 1sjr n THR 59 N -0.61 0.00 -0.07 3.92 -2.24 -1.26 -5.09 114.28 108.94 1sjr n THR 59 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1sjr n THR 59 Cb 0.61 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1sjr n THR 59 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sjr h LEU 60 N 0.00 0.00 -1.74 3.22 4.07 -1.95 -3.11 115.31 115.80 1sjr h LEU 60 Ca 0.00 -0.54 0.48 0.00 0.08 0.00 0.00 57.88 57.90 1sjr h LEU 60 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1sjr h LEU 60 CO 0.00 0.93 1.32 0.44 -1.08 0.00 0.00 178.44 180.05 1sjr h ASP 61 N -1.00 0.00 0.00 -0.43 5.19 -1.99 0.34 116.42 118.54 1sjr h ASP 61 Ca -0.06 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 1sjr h ASP 61 Cb 0.73 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1sjr h ASP 61 CO -0.04 0.00 -0.29 0.58 -3.12 0.00 0.00 179.24 176.37 1sjr h VAL 62 N 0.00 0.71 -0.88 -1.35 2.07 -1.99 -3.05 116.25 111.75 1sjr h VAL 62 Ca 0.78 -1.61 0.11 0.00 0.82 0.00 0.00 66.70 66.80 1sjr h VAL 62 Cb 3.41 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 34.53 1sjr h VAL 62 CO -0.01 0.24 0.57 0.17 0.02 0.00 0.00 177.57 178.56 1sjr h LEU 63 N -1.00 0.77 0.35 2.57 8.10 -0.50 -2.37 115.31 123.22 1sjr h LEU 63 Ca -0.06 0.03 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 1sjr h LEU 63 Cb 0.61 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1sjr h LEU 63 CO -0.03 0.44 -0.17 -0.74 -4.11 0.00 0.00 178.44 173.83 1sjr h HIS 64 N 0.84 -0.43 -1.06 0.17 2.76 -0.66 -2.66 115.15 114.11 1sjr h HIS 64 Ca 0.42 -0.01 0.31 0.00 -2.20 0.00 0.00 60.37 58.88 1sjr h HIS 64 Cb 0.47 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 1sjr h HIS 64 CO -0.00 -0.27 1.05 0.37 -1.30 0.00 0.00 177.93 177.78 1sjr h GLN 65 N -0.62 0.00 0.14 5.26 4.15 -1.41 0.57 115.11 123.20 1sjr h GLN 65 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1sjr h GLN 65 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1sjr h GLN 65 CO 0.08 0.00 -0.07 0.82 -1.93 0.00 0.00 178.83 177.73 1sjr h ILE 66 N 0.00 0.00 0.00 2.39 2.04 -1.27 -3.29 117.51 117.38 1sjr h ILE 66 Ca 0.50 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 66.16 1sjr h ILE 66 Cb 2.61 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1sjr h ILE 66 CO -0.01 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.63 1sjr n PHE 67 N -3.05 0.63 1.18 1.37 3.01 -0.38 -1.97 117.46 118.25 1sjr n PHE 67 Ca -0.02 0.26 0.10 0.00 1.01 0.00 0.00 57.45 58.80 1sjr n PHE 67 Cb 0.07 -0.92 0.58 0.00 -0.01 0.00 0.00 39.48 39.20 1sjr n PHE 67 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sjr n SER 68 N -2.09 0.00 -0.10 4.37 2.88 0.18 -2.61 113.62 116.25 1sjr n SER 68 Ca 0.02 -0.41 -0.24 0.00 -1.33 0.00 0.00 58.87 56.92 1sjr n SER 68 Cb 0.18 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.41 1sjr n SER 68 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sjr n LYS 69 N -1.11 0.59 0.01 -1.46 4.81 -0.83 -4.11 118.16 116.06 1sjr n LYS 69 Ca 0.13 0.46 0.09 0.00 -0.87 0.00 0.00 58.31 58.12 1sjr n LYS 69 Cb 0.11 -1.68 0.39 0.00 0.02 0.00 0.00 35.03 33.87 1sjr n LYS 69 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1sjr n PHE 70 N -4.25 0.10 0.00 5.64 3.01 -1.18 -4.90 117.46 115.88 1sjr n PHE 70 Ca -0.38 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.12 1sjr n PHE 70 Cb 0.78 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1sjr n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjr n GLY 71 N 0.33 1.15 3.70 1.37 0.00 -1.07 -4.61 105.19 106.06 1sjr n GLY 71 Ca 0.04 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1sjr n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjr s THR 72 N -2.00 3.82 -0.49 2.61 2.01 -1.26 -3.69 115.64 116.65 1sjr s THR 72 Ca 0.00 1.26 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 1sjr s THR 72 Cb 0.00 -3.81 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1sjr s THR 72 CO 0.00 0.05 0.56 -0.69 -0.69 0.00 0.00 174.62 173.85 1sjr s VAL 73 N 1.68 4.97 0.03 3.82 1.01 -1.26 -2.09 120.40 128.56 1sjr s VAL 73 Ca 0.61 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1sjr s VAL 73 Cb -0.31 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 1sjr s VAL 73 CO 0.27 -0.71 1.40 -0.07 0.00 0.00 0.00 175.10 175.99 1sjr h LEU 74 N 9.44 -0.31 -8.59 3.92 4.07 -1.30 -3.43 115.31 119.11 1sjr h LEU 74 Ca -0.27 -0.15 -0.24 0.00 0.08 0.00 0.00 57.88 57.30 1sjr h LEU 74 Cb 1.10 0.08 -0.15 0.00 1.08 0.00 0.00 40.66 42.77 1sjr h LEU 74 CO 0.92 -0.02 -0.60 -0.54 -1.08 0.00 0.00 178.44 177.12 1sjr s LYS 75 N -5.12 1.22 0.10 1.13 3.01 -1.25 0.12 119.74 118.96 1sjr s LYS 75 Ca -0.15 -1.63 -0.25 0.00 -1.01 0.00 0.00 55.97 52.94 1sjr s LYS 75 Cb 0.03 0.28 0.07 0.00 -1.01 0.00 0.00 37.83 37.19 1sjr s LYS 75 CO 0.59 -0.40 0.61 0.42 0.51 0.00 0.00 175.35 177.08 1sjr s ILE 76 N -4.14 0.00 0.16 2.17 1.01 0.17 -2.87 121.20 117.71 1sjr s ILE 76 Ca 0.39 -0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 1sjr s ILE 76 Cb 0.07 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.59 1sjr s ILE 76 CO 0.12 -0.02 0.55 -0.63 0.00 0.00 0.00 174.94 174.96 1sjr s ILE 77 N -3.05 0.02 -0.02 2.92 1.01 -0.45 0.16 121.20 121.77 1sjr s ILE 77 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1sjr s ILE 77 Cb -0.01 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1sjr s ILE 77 CO -0.07 -0.10 0.23 0.42 0.00 0.00 0.00 174.94 175.43 1sjr s THR 78 N -3.79 0.06 0.00 2.92 -4.23 0.19 -2.16 115.64 108.62 1sjr s THR 78 Ca 0.03 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 1sjr s THR 78 Cb -0.01 -0.49 0.10 0.00 1.34 0.00 0.00 72.50 73.45 1sjr s THR 78 CO -0.10 -0.25 0.95 0.72 -0.54 0.00 0.00 174.62 175.39 1sjr s PHE 79 N -1.03 -0.28 -0.22 3.99 -0.71 -0.67 -4.67 117.98 114.39 1sjr s PHE 79 Ca -0.11 0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 1sjr s PHE 79 Cb -0.05 0.55 0.05 0.00 -1.21 0.00 0.00 43.02 42.36 1sjr s PHE 79 CO 0.02 -0.55 -0.07 0.99 -1.34 0.00 0.00 175.22 174.28 1sjr s THR 80 N -3.06 1.52 -0.71 -4.49 2.01 -1.26 -0.56 115.64 109.09 1sjr s THR 80 Ca 0.07 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 1sjr s THR 80 Cb -0.01 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1sjr s THR 80 CO -0.07 -0.00 1.97 1.17 -0.69 0.00 0.00 174.62 177.00 1sjr n LYS 81 N 4.70 1.73 0.00 4.92 4.81 -0.92 -4.13 118.16 129.26 1sjr n LYS 81 Ca -0.13 -1.24 0.00 0.00 -0.87 0.00 0.00 58.31 56.07 1sjr n LYS 81 Cb 0.45 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1sjr n LYS 81 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sjr n ASN 82 N 4.14 0.00 0.00 3.14 2.85 -1.26 -4.25 115.26 119.88 1sjr n ASN 82 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1sjr n ASN 82 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1sjr n ASN 82 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1sjr n ASN 83 N 0.00 0.00 -3.47 1.20 6.94 -1.26 -5.13 115.26 113.54 1sjr n ASN 83 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 1sjr n ASN 83 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1sjr s GLN 84 N 0.00 0.24 0.28 -3.83 0.74 -1.26 -5.01 119.66 110.82 1sjr s GLN 84 Ca 0.00 -0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 1sjr s GLN 84 Cb 0.00 -1.01 -0.11 0.00 1.10 0.00 0.00 33.01 32.99 1sjr s GLN 84 CO 0.00 -0.86 1.55 -0.06 -0.55 0.00 0.00 175.29 175.37 1sjr s PHE 85 N 2.30 2.83 -0.22 1.67 0.08 -1.22 -2.16 117.98 121.25 1sjr s PHE 85 Ca 0.08 0.84 -0.05 0.00 0.12 0.00 0.00 56.93 57.92 1sjr s PHE 85 Cb -0.15 -4.00 0.11 0.00 -0.57 0.00 0.00 43.02 38.41 1sjr s PHE 85 CO -0.24 -3.35 0.42 -0.65 -0.10 0.00 0.00 175.22 171.30 1sjr s GLN 86 N -0.44 0.36 -0.08 0.44 -0.21 0.27 -2.42 119.66 117.58 1sjr s GLN 86 Ca 0.62 0.87 0.04 0.00 0.02 0.00 0.00 55.36 56.91 1sjr s GLN 86 Cb -0.46 0.08 0.00 0.00 1.00 0.00 0.00 33.01 33.63 1sjr s GLN 86 CO 0.46 -0.41 -0.20 0.00 -2.12 0.00 0.00 175.29 173.02 1sjr s ALA 87 N 2.62 1.81 0.05 6.09 0.00 0.11 -1.68 121.76 130.76 1sjr s ALA 87 Ca 0.05 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1sjr s ALA 87 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1sjr s ALA 87 CO -0.15 0.24 -0.03 -0.51 0.00 0.00 0.00 175.76 175.32 1sjr s LEU 88 N 0.37 3.35 -0.03 0.00 1.43 -0.92 0.86 118.68 123.75 1sjr s LEU 88 Ca -0.15 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1sjr s LEU 88 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1sjr s LEU 88 CO 0.06 0.22 0.27 -1.48 0.23 0.00 0.00 176.35 175.65 1sjr s LEU 89 N -1.94 1.02 -0.27 1.79 2.34 -0.69 -1.35 118.68 119.58 1sjr s LEU 89 Ca 0.22 0.10 -0.02 0.00 0.06 0.00 0.00 54.13 54.49 1sjr s LEU 89 Cb -0.11 1.09 0.03 0.00 -0.56 0.00 0.00 46.19 46.64 1sjr s LEU 89 CO 0.14 -0.37 -0.03 -1.58 -1.06 0.00 0.00 176.35 173.44 1sjr s GLN 90 N -1.10 2.76 1.03 1.48 0.74 -1.14 -1.68 119.66 121.76 1sjr s GLN 90 Ca -0.12 -1.04 -0.15 0.00 0.05 0.00 0.00 55.36 54.11 1sjr s GLN 90 Cb -0.05 -3.09 0.20 0.00 1.10 0.00 0.00 33.01 31.17 1sjr s GLN 90 CO 0.03 -0.46 1.14 0.71 -0.55 0.00 0.00 175.29 176.16 1sjr s TYR 91 N 1.33 1.69 -0.40 1.67 2.02 -0.41 -0.91 117.35 122.34 1sjr s TYR 91 Ca -0.01 0.70 0.23 0.00 -0.37 0.00 0.00 57.07 57.62 1sjr s TYR 91 Cb -0.17 -3.47 0.06 0.00 -0.40 0.00 0.00 41.96 37.97 1sjr s TYR 91 CO -0.03 -3.00 1.05 0.00 -1.57 0.00 0.00 175.55 172.01 1sjr n ALA 92 N -4.17 2.84 -3.35 3.71 0.00 -0.89 -4.70 120.51 113.96 1sjr n ALA 92 Ca 0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1sjr n ALA 92 Cb 0.59 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 1sjr n ALA 92 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1sjr s ASP 93 N -4.70 -0.44 0.54 0.00 1.47 -1.26 -5.04 116.67 107.23 1sjr s ASP 93 Ca 0.01 0.76 0.27 0.00 1.18 0.00 0.00 52.55 54.78 1sjr s ASP 93 Cb 0.12 0.80 1.53 0.00 -0.34 0.00 0.00 42.92 45.03 1sjr s ASP 93 CO 0.79 -0.24 2.12 1.55 0.68 0.00 0.00 175.17 180.06 1sjr h PRO 94 N 4.97 0.00 -0.72 2.11 0.13 -1.92 -2.70 132.00 133.87 1sjr h PRO 94 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1sjr h PRO 94 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1sjr h PRO 94 CO 0.26 0.09 0.39 0.28 -0.23 0.00 0.00 178.00 178.79 1sjr h VAL 95 N 0.00 1.22 -0.12 1.56 2.07 -1.99 -0.66 116.25 118.34 1sjr h VAL 95 Ca -0.00 -0.56 -0.20 0.00 0.82 0.00 0.00 66.70 66.76 1sjr h VAL 95 Cb 0.24 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1sjr h VAL 95 CO 0.01 0.25 -0.70 0.77 0.02 0.00 0.00 177.57 177.92 1sjr h SER 96 N 0.99 0.82 -0.32 0.57 4.64 -1.74 -3.09 113.55 115.42 1sjr h SER 96 Ca 0.25 -0.65 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1sjr h SER 96 Cb 0.05 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1sjr h SER 96 CO -0.04 1.34 0.18 0.00 -0.87 0.00 0.00 176.83 177.43 1sjr h ALA 97 N 0.50 1.66 0.49 5.18 0.00 -1.34 0.24 119.26 125.99 1sjr h ALA 97 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sjr h ALA 97 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sjr h ALA 97 CO 0.14 0.29 -0.23 1.96 0.00 0.00 0.00 179.25 181.40 1sjr h GLN 98 N 0.48 -0.63 0.08 0.00 1.08 -1.10 -2.80 115.11 112.23 1sjr h GLN 98 Ca 0.12 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1sjr h GLN 98 Cb 0.04 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1sjr h GLN 98 CO -0.02 -0.33 -0.04 0.45 -0.95 0.00 0.00 178.83 177.94 1sjr h HIS 99 N -0.89 -0.10 -1.39 2.96 3.86 -1.44 -2.89 115.15 115.26 1sjr h HIS 99 Ca -0.07 -0.00 0.42 0.00 -1.16 0.00 0.00 60.37 59.56 1sjr h HIS 99 Cb 0.59 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.00 1sjr h HIS 99 CO 0.00 0.20 0.95 0.00 0.86 0.00 0.00 177.93 179.94 1sjr h ALA 100 N 0.48 3.00 0.37 2.45 0.00 -0.60 0.38 119.26 125.33 1sjr h ALA 100 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sjr h ALA 100 Cb 0.35 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sjr h ALA 100 CO 0.02 -1.51 -0.18 -0.22 0.00 0.00 0.00 179.25 177.36 1sjr h LYS 101 N 0.09 -0.48 -0.01 0.00 3.64 -1.28 0.32 116.57 118.85 1sjr h LYS 101 Ca 0.75 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.17 1sjr h LYS 101 Cb 2.61 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 34.53 1sjr h LYS 101 CO -0.22 -0.23 0.01 -0.07 -2.27 0.00 0.00 179.45 176.68 1sjr h LEU 102 N -1.07 0.00 0.00 5.20 3.38 -0.91 0.93 115.31 122.85 1sjr h LEU 102 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1sjr h LEU 102 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1sjr h LEU 102 CO 0.08 0.00 -0.30 0.28 0.09 0.00 0.00 178.44 178.59 1sjr h SER 103 N 0.00 0.00 0.31 -0.43 0.02 -0.36 -3.41 113.55 109.68 1sjr h SER 103 Ca 0.01 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1sjr h SER 103 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1sjr h SER 103 CO -0.00 0.93 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.41 1sjr h LEU 104 N -1.00 -0.35 -7.74 5.07 3.38 -0.16 -3.43 115.31 111.09 1sjr h LEU 104 Ca -0.07 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.41 1sjr h LEU 104 Cb 0.74 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 1sjr h LEU 104 CO -0.04 0.11 1.75 -0.67 0.09 0.00 0.00 178.44 179.68 1sjr n ASP 105 N -5.05 0.01 0.00 -0.43 2.03 0.32 0.41 116.55 113.84 1sjr n ASP 105 Ca -0.06 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1sjr n ASP 105 Cb 0.18 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1sjr n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjr n GLY 106 N 6.13 1.67 3.39 0.27 0.00 -1.25 -4.81 105.19 110.59 1sjr n GLY 106 Ca 0.64 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 1sjr n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sjr n GLN 107 N -0.48 0.84 -2.99 1.61 1.13 0.17 -5.06 117.38 112.59 1sjr n GLN 107 Ca 0.00 -3.39 -0.13 0.00 -1.94 0.00 0.00 57.00 51.55 1sjr n GLN 107 Cb 0.00 0.82 -0.02 0.00 0.11 0.00 0.00 30.24 31.15 1sjr n GLN 107 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1sjr n ASN 108 N -1.38 2.47 -0.04 1.08 0.23 -1.26 -3.15 115.26 113.21 1sjr n ASN 108 Ca -0.17 -1.87 -0.03 0.00 -0.53 0.00 0.00 54.58 51.98 1sjr n ASN 108 Cb 0.59 0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 38.35 1sjr n ASN 108 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1sjr n ILE 109 N -0.56 0.52 0.00 1.53 5.41 -1.25 -4.89 119.36 120.12 1sjr n ILE 109 Ca -0.08 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1sjr n ILE 109 Cb 0.25 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1sjr n ILE 109 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sjr n TYR 110 N -2.26 0.00 0.01 1.39 4.02 -1.26 -5.07 117.16 113.99 1sjr n TYR 110 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1sjr n TYR 110 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 1sjr n TYR 110 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1sjr n ASN 111 N -0.25 0.04 -2.23 7.72 0.23 -1.26 -4.97 115.26 114.55 1sjr n ASN 111 Ca 0.00 0.02 -0.03 0.00 -0.53 0.00 0.00 54.58 54.04 1sjr n ASN 111 Cb 0.00 -0.00 0.08 0.00 -2.08 0.00 0.00 39.78 37.77 1sjr n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sjr n ALA 112 N -2.87 2.96 -2.48 -2.53 0.00 -1.26 -4.92 120.51 109.40 1sjr n ALA 112 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.46 1sjr n ALA 112 Cb 0.30 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1sjr n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjr n THR 115 N -3.77 0.09 -4.29 0.00 -1.04 -1.25 -4.45 114.28 99.58 1sjr n THR 115 Ca -0.02 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.63 1sjr n THR 115 Cb 0.54 -0.71 -0.10 0.00 -1.82 0.00 0.00 70.33 68.24 1sjr n THR 115 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1sjr s LEU 116 N 3.07 3.60 -0.10 -4.42 0.05 -1.19 -1.11 118.68 118.59 1sjr s LEU 116 Ca 1.02 0.10 0.03 0.00 0.05 0.00 0.00 54.13 55.34 1sjr s LEU 116 Cb -1.36 -1.85 -0.01 0.00 -2.05 0.00 0.00 46.19 40.92 1sjr s LEU 116 CO 0.76 0.31 -0.20 -0.13 -0.55 0.00 0.00 176.35 176.53 1sjr s ARG 117 N -0.44 3.00 0.00 1.48 1.81 0.63 -3.91 118.95 121.52 1sjr s ARG 117 Ca 0.08 -0.81 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 1sjr s ARG 117 Cb -0.12 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1sjr s ARG 117 CO 0.02 0.27 0.02 0.42 -0.68 0.00 0.00 175.30 175.35 1sjr s ILE 118 N 0.15 4.31 -0.10 1.52 1.09 -1.26 -0.31 121.20 126.60 1sjr s ILE 118 Ca -0.11 -0.57 -0.28 0.00 -1.10 0.00 0.00 60.65 58.58 1sjr s ILE 118 Cb -0.16 -2.95 0.07 0.00 -1.06 0.00 0.00 42.46 38.36 1sjr s ILE 118 CO 0.06 0.35 0.66 -1.81 -0.10 0.00 0.00 174.94 174.10 1sjr s ASP 119 N -1.67 -0.65 0.23 3.58 1.01 -0.95 -4.85 116.67 113.38 1sjr s ASP 119 Ca 0.21 0.86 -0.31 0.00 0.71 0.00 0.00 52.55 54.02 1sjr s ASP 119 Cb -0.12 0.75 -0.11 0.00 1.01 0.00 0.00 42.92 44.46 1sjr s ASP 119 CO 0.12 -0.50 1.59 -0.36 0.21 0.00 0.00 175.17 176.23 1sjr s PHE 120 N -0.79 2.91 0.99 4.23 0.08 -1.26 0.12 117.98 124.26 1sjr s PHE 120 Ca -0.08 0.68 -0.15 0.00 0.12 0.00 0.00 56.93 57.50 1sjr s PHE 120 Cb -0.02 -4.01 0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1sjr s PHE 120 CO 0.07 -3.57 0.17 0.45 -0.10 0.00 0.00 175.22 172.24 1sjr n SER 121 N 3.08 -2.54 -0.07 1.36 2.88 0.27 -4.79 113.62 113.82 1sjr n SER 121 Ca 0.11 0.22 -0.20 0.00 -1.33 0.00 0.00 58.87 57.67 1sjr n SER 121 Cb 0.38 -1.10 -0.13 0.00 -0.75 0.00 0.00 64.21 62.61 1sjr n SER 121 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sjr n LYS 122 N -1.29 0.70 -0.34 -1.46 4.81 -1.26 -4.21 118.16 115.11 1sjr n LYS 122 Ca 0.04 0.21 0.04 0.00 -0.87 0.00 0.00 58.31 57.74 1sjr n LYS 122 Cb 0.56 -1.61 0.18 0.00 0.02 0.00 0.00 35.03 34.18 1sjr n LYS 122 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sjr n LEU 123 N -3.42 2.78 -1.29 3.14 4.32 -1.26 -4.85 117.00 116.42 1sjr n LEU 123 Ca -0.39 -1.40 -0.16 0.00 -0.02 0.00 0.00 56.01 54.03 1sjr n LEU 123 Cb 1.01 -0.46 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 1sjr n LEU 123 CO 0.33 0.45 -0.15 0.35 -1.22 0.00 0.00 177.39 177.14 1sjr n THR 124 N 0.39 0.00 -3.61 -5.08 -2.24 -1.26 -4.85 114.28 97.63 1sjr n THR 124 Ca 0.13 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1sjr n THR 124 Cb 0.56 -1.72 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 1sjr n THR 124 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sjr s SER 125 N -2.54 -0.04 0.40 3.42 0.01 -1.26 -4.82 113.70 108.87 1sjr s SER 125 Ca 0.00 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.31 1sjr s SER 125 Cb 0.00 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1sjr s SER 125 CO 0.00 -0.11 0.33 -1.48 0.41 0.00 0.00 173.24 172.39 1sjr s LEU 126 N -2.49 3.37 -1.19 2.44 0.05 -1.26 -4.77 118.68 114.83 1sjr s LEU 126 Ca 0.13 -0.76 -0.08 0.00 0.05 0.00 0.00 54.13 53.46 1sjr s LEU 126 Cb 0.02 -1.97 0.22 0.00 -2.05 0.00 0.00 46.19 42.42 1sjr s LEU 126 CO -0.04 -0.58 1.60 0.59 -0.55 0.00 0.00 176.35 177.36 1sjr n ASN 127 N -1.46 5.56 -4.21 1.48 4.13 -1.26 -4.95 115.26 114.55 1sjr n ASN 127 Ca 0.02 -3.17 -0.37 0.00 1.68 0.00 0.00 54.58 52.74 1sjr n ASN 127 Cb 0.62 -1.42 -0.12 0.00 -1.54 0.00 0.00 39.78 37.31 1sjr n ASN 127 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sjr s VAL 128 N -0.55 3.45 0.00 2.41 1.01 -1.26 -4.84 120.40 120.62 1sjr s VAL 128 Ca 0.37 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1sjr s VAL 128 Cb 0.04 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1sjr s VAL 128 CO 0.02 -0.27 0.73 0.29 0.00 0.00 0.00 175.10 175.88 1sjr n LYS 129 N 4.72 0.00 -3.66 2.72 5.02 -1.26 -5.02 118.16 120.68 1sjr n LYS 129 Ca -0.11 -0.49 -0.08 0.00 -2.02 0.00 0.00 58.31 55.61 1sjr n LYS 129 Cb 0.43 0.13 -0.08 0.00 -0.02 0.00 0.00 35.03 35.49 1sjr n LYS 129 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1sjr s TYR 130 N 0.00 -0.91 -0.67 2.13 1.51 -1.26 -4.69 117.35 113.47 1sjr s TYR 130 Ca 0.01 1.84 -0.15 0.00 -1.01 0.00 0.00 57.07 57.77 1sjr s TYR 130 Cb 0.02 0.51 0.17 0.00 -0.11 0.00 0.00 41.96 42.55 1sjr s TYR 130 CO -0.01 -0.47 0.61 -0.80 -1.11 0.00 0.00 175.55 173.78 1sjr s ASN 131 N 1.56 6.41 0.00 2.29 0.01 0.70 -4.35 114.94 121.55 1sjr s ASN 131 Ca -0.10 -2.21 0.00 0.00 -0.71 0.00 0.00 52.86 49.84 1sjr s ASN 131 Cb -0.06 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.40 1sjr s ASN 131 CO -0.17 -0.72 0.00 -0.46 -1.51 0.00 0.00 177.10 174.24 1sjr n ASN 132 N 4.65 0.00 0.00 -1.22 6.94 -1.26 -2.98 115.26 121.39 1sjr n ASN 132 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1sjr n ASN 132 Cb 0.43 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1sjr n ASN 132 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1sjr n ASP 133 N 0.00 0.00 0.01 0.53 5.68 -1.26 -4.89 116.55 116.62 1sjr n ASP 133 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.10 1sjr n ASP 133 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1sjr n ASP 133 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sjr h LYS 134 N 0.00 0.69 -6.45 0.11 1.57 -1.94 -3.46 116.57 107.09 1sjr h LYS 134 Ca 0.00 -0.68 -0.43 0.00 -1.87 0.00 0.00 60.65 57.68 1sjr h LYS 134 Cb 0.00 0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.50 1sjr h LYS 134 CO 0.00 1.27 -0.25 -1.12 -0.57 0.00 0.00 179.45 178.78 1sjr s SER 135 N -7.14 5.60 -0.29 0.86 0.01 -1.26 0.53 113.70 112.00 1sjr s SER 135 Ca -0.11 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 1sjr s SER 135 Cb 0.07 -0.58 0.19 0.00 0.21 0.00 0.00 66.02 65.91 1sjr s SER 135 CO 0.90 -0.81 0.78 -0.60 0.41 0.00 0.00 173.24 173.92 1sjr s ARG 136 N -4.37 0.39 -0.27 12.44 6.06 0.41 -4.19 118.95 129.42 1sjr s ARG 136 Ca 0.55 0.44 -0.16 0.00 -2.50 0.00 0.00 55.73 54.06 1sjr s ARG 136 Cb -0.09 0.21 -0.03 0.00 0.06 0.00 0.00 34.95 35.10 1sjr s ARG 136 CO 0.33 -0.69 0.44 0.34 -2.50 0.00 0.00 175.30 173.23 1sjr s ASP 137 N 2.88 6.33 0.07 -2.12 2.15 -1.26 0.45 116.67 125.18 1sjr s ASP 137 Ca 0.16 0.35 0.21 0.00 0.43 0.00 0.00 52.55 53.71 1sjr s ASP 137 Cb -0.08 -2.24 -0.17 0.00 -0.30 0.00 0.00 42.92 40.13 1sjr s ASP 137 CO -0.23 -0.25 0.74 -1.22 -0.17 0.00 0.00 175.17 174.03 1sjr n TYR 138 N 5.45 0.52 0.20 -5.34 4.01 0.33 -4.09 117.16 118.24 1sjr n TYR 138 Ca -0.06 0.16 0.06 0.00 -0.16 0.00 0.00 57.90 57.90 1sjr n TYR 138 Cb 0.50 -0.79 0.37 0.00 -0.31 0.00 0.00 39.34 39.12 1sjr n TYR 138 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sjr h THR 139 N 0.00 0.84 -1.54 -0.72 1.03 -1.15 -3.42 112.91 107.96 1sjr h THR 139 Ca -0.04 -1.41 -0.03 0.00 -0.01 0.00 0.00 66.41 64.91 1sjr h THR 139 Cb 1.12 1.87 -0.25 0.00 -1.07 0.00 0.00 68.15 69.82 1sjr h THR 139 CO 0.01 0.34 -0.37 -0.13 -0.01 0.00 0.00 175.52 175.35 1sjr s ARG 140 N -3.67 0.45 0.00 0.00 1.81 -1.26 -5.01 118.95 111.27 1sjr s ARG 140 Ca -0.00 0.80 0.25 0.00 -1.72 0.00 0.00 55.73 55.06 1sjr s ARG 140 Cb 0.11 0.07 1.13 0.00 -0.45 0.00 0.00 34.95 35.80 1sjr s ARG 140 CO 0.68 -0.60 1.77 -0.35 -0.68 0.00 0.00 175.30 176.12 1sjr n PRO 141 N 5.40 1.44 -0.63 3.54 -0.04 -1.26 -4.01 135.00 139.44 1sjr n PRO 141 Ca -0.03 -0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 62.66 1sjr n PRO 141 Cb 0.50 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 1sjr n PRO 141 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sjr n ASP 142 N -0.17 3.69 -4.72 3.54 9.92 -1.26 -4.89 116.55 122.66 1sjr n ASP 142 Ca 0.18 -2.82 -0.35 0.00 -0.53 0.00 0.00 54.79 51.27 1sjr n ASP 142 Cb 0.25 -0.71 -0.09 0.00 -0.64 0.00 0.00 41.12 39.93 1sjr n ASP 142 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sjr s LEU 143 N -1.64 3.76 0.97 0.64 2.01 -1.26 -5.10 118.68 118.06 1sjr s LEU 143 Ca 0.28 0.21 -0.12 0.00 0.01 0.00 0.00 54.13 54.51 1sjr s LEU 143 Cb 0.24 -1.88 0.17 0.00 0.01 0.00 0.00 46.19 44.73 1sjr s LEU 143 CO 0.05 0.37 1.09 -2.16 1.01 0.00 0.00 176.35 176.71 1sjr s PRO 144 N -0.83 0.67 -0.18 1.29 0.04 -1.26 -3.82 135.00 130.91 1sjr s PRO 144 Ca 0.13 0.67 0.03 0.00 0.04 0.00 0.00 61.00 61.87 1sjr s PRO 144 Cb -0.12 -1.75 0.33 0.00 0.04 0.00 0.00 34.50 33.00 1sjr s PRO 144 CO 0.03 -2.61 1.31 -1.13 0.04 0.00 0.00 177.00 174.64 1sjr n SER 145 N -4.11 3.30 0.00 6.66 3.41 -1.16 0.25 113.62 121.97 1sjr n SER 145 Ca 0.06 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1sjr n SER 145 Cb 0.56 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1sjr n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sjr n GLY 146 N -0.09 1.64 0.00 5.00 0.00 -1.26 -4.56 105.19 105.92 1sjr n GLY 146 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1sjr n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66