#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjr h ALA 41 N 0.00 -0.59 -3.00 3.04 0.00 -2.09 -3.38 119.26 113.24 1sjr h ALA 41 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sjr h ALA 41 Cb 0.00 1.28 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sjr h ALA 41 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 178.68 1sjr n GLY 42 N -1.30 -2.27 2.56 0.00 0.00 -1.26 -4.94 105.19 97.98 1sjr n GLY 42 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.91 -3.85 1.61 7.27 -1.26 -5.04 117.38 115.20 1sjr n GLN 43 Ca 0.00 1.16 -0.30 0.00 0.07 0.00 0.00 57.00 57.92 1sjr n GLN 43 Cb 0.00 -4.39 -0.15 0.00 2.41 0.00 0.00 30.24 28.11 1sjr n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1sjr s SER 44 N -2.70 4.29 -1.07 1.69 0.01 -1.26 -4.98 113.70 109.68 1sjr s SER 44 Ca 0.01 -1.80 -0.22 0.00 1.31 0.00 0.00 55.95 55.25 1sjr s SER 44 Cb -0.00 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 65.10 1sjr s SER 44 CO 0.51 -0.39 1.57 -2.16 0.41 0.00 0.00 173.24 173.18 1sjr s PRO 45 N 1.34 3.53 -0.01 12.44 0.04 -1.26 -4.87 135.00 146.20 1sjr s PRO 45 Ca 0.09 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1sjr s PRO 45 Cb -0.18 -5.36 0.02 0.00 0.04 0.00 0.00 34.50 29.01 1sjr s PRO 45 CO -0.18 -2.39 0.01 0.08 0.04 0.00 0.00 177.00 174.56 1sjr s VAL 46 N 5.53 0.03 0.01 -0.36 1.01 -1.26 0.24 120.40 125.59 1sjr s VAL 46 Ca 0.51 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1sjr s VAL 46 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1sjr s VAL 46 CO -0.05 0.07 -0.17 -0.76 0.00 0.00 0.00 175.10 174.20 1sjr s LEU 47 N 0.63 2.66 -0.50 3.92 1.02 0.53 -2.05 118.68 124.89 1sjr s LEU 47 Ca -0.06 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.74 1sjr s LEU 47 Cb -0.08 -1.55 0.13 0.00 0.02 0.00 0.00 46.19 44.72 1sjr s LEU 47 CO -0.02 0.29 0.29 -0.60 0.02 0.00 0.00 176.35 176.34 1sjr s ARG 48 N -1.18 2.19 -0.29 1.70 3.52 0.44 -1.34 118.95 123.98 1sjr s ARG 48 Ca 0.14 -2.18 -0.26 0.00 -0.13 0.00 0.00 55.73 53.29 1sjr s ARG 48 Cb -0.11 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1sjr s ARG 48 CO 0.04 -1.11 0.94 0.42 -0.81 0.00 0.00 175.30 174.78 1sjr s ILE 49 N 0.52 4.67 -0.20 4.11 1.01 0.15 -1.85 121.20 129.60 1sjr s ILE 49 Ca 0.13 1.55 -0.01 0.00 0.00 0.00 0.00 60.65 62.32 1sjr s ILE 49 Cb -0.22 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 37.99 1sjr s ILE 49 CO -0.04 -0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 173.83 1sjr s ILE 50 N 3.25 2.63 -0.08 2.92 1.01 0.14 -0.20 121.20 130.87 1sjr s ILE 50 Ca 0.39 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 1sjr s ILE 50 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1sjr s ILE 50 CO 0.12 0.45 0.85 -0.69 0.00 0.00 0.00 174.94 175.67 1sjr s VAL 51 N 1.36 4.92 -0.25 2.92 1.01 -0.91 0.13 120.40 129.57 1sjr s VAL 51 Ca 0.04 1.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 1sjr s VAL 51 Cb -0.14 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1sjr s VAL 51 CO -0.08 0.13 -0.02 -1.61 0.00 0.00 0.00 175.10 173.51 1sjr s GLU 52 N 1.39 3.00 0.00 2.72 0.41 0.02 -4.59 118.70 121.66 1sjr s GLU 52 Ca 0.43 -0.88 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1sjr s GLU 52 Cb -0.18 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 1sjr s GLU 52 CO 0.19 -0.37 0.00 0.09 -0.49 0.00 0.00 175.26 174.68 1sjr n ASN 53 N 4.74 -1.86 -4.61 -0.19 3.02 -1.26 -3.98 115.26 111.12 1sjr n ASN 53 Ca -0.16 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.82 1sjr n ASN 53 Cb 0.48 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.36 1.29 0.00 3.41 7.99 -1.26 -4.29 117.00 122.78 1sjr n LEU 54 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 1sjr n LEU 54 Cb 0.46 -1.07 0.00 0.00 -0.11 0.00 0.00 43.42 42.71 1sjr n LEU 54 CO 0.00 -1.13 -0.37 0.33 -1.51 0.00 0.00 177.39 174.71 1sjr n PHE 55 N 3.00 0.00 -4.59 -1.77 7.35 -1.26 -5.00 117.46 115.18 1sjr n PHE 55 Ca 0.22 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.69 1sjr n PHE 55 Cb 0.12 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.80 1sjr n PHE 55 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1sjr s TYR 56 N -1.74 1.17 -0.40 -5.13 2.02 -1.26 -5.09 117.35 106.91 1sjr s TYR 56 Ca 0.00 -0.23 -0.28 0.00 -0.37 0.00 0.00 57.07 56.19 1sjr s TYR 56 Cb 0.00 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1sjr s TYR 56 CO 0.00 -0.03 1.55 -1.25 -1.57 0.00 0.00 175.55 174.26 1sjr s PRO 57 N -0.27 3.44 0.59 -1.71 0.04 -1.26 -5.00 135.00 130.82 1sjr s PRO 57 Ca 0.04 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.23 1sjr s PRO 57 Cb -0.05 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.48 1sjr s PRO 57 CO -0.00 -1.73 0.79 0.14 0.04 0.00 0.00 177.00 176.23 1sjr s VAL 58 N 6.09 2.02 0.00 -0.36 -7.23 -1.26 -5.14 120.40 114.52 1sjr s VAL 58 Ca 0.67 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1sjr s VAL 58 Cb -0.16 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1sjr s VAL 58 CO 0.32 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.46 1sjr n THR 59 N -2.25 0.00 0.06 5.32 -2.24 -1.26 -5.07 114.28 108.84 1sjr n THR 59 Ca 0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 1sjr n THR 59 Cb 0.62 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.56 -2.00 3.22 4.07 -1.99 -3.07 115.31 116.11 1sjr h LEU 60 Ca 0.00 -0.92 0.24 0.00 0.08 0.00 0.00 57.88 57.28 1sjr h LEU 60 Cb 0.00 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 1sjr h LEU 60 CO 0.00 1.73 0.59 0.44 -1.08 0.00 0.00 178.44 180.12 1sjr h ASP 61 N -0.02 0.00 0.08 -0.43 5.19 -1.98 0.37 116.42 119.63 1sjr h ASP 61 Ca -0.33 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.85 1sjr h ASP 61 Cb 2.00 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.50 1sjr h ASP 61 CO 0.15 0.00 -1.24 1.62 -3.12 0.00 0.00 179.24 176.65 1sjr h VAL 62 N 0.00 1.09 -0.21 -1.35 3.04 -1.99 -3.06 116.25 113.77 1sjr h VAL 62 Ca 0.39 -2.35 -0.04 0.00 -1.01 0.00 0.00 66.70 63.69 1sjr h VAL 62 Cb 1.55 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 33.52 1sjr h VAL 62 CO -0.01 0.63 -0.04 0.17 -1.01 0.00 0.00 177.57 177.31 1sjr h LEU 63 N -0.50 0.29 0.14 3.16 8.10 -1.18 -0.41 115.31 124.91 1sjr h LEU 63 Ca -0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 57.88 57.66 1sjr h LEU 63 Cb 1.60 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.75 1sjr h LEU 63 CO 0.00 0.38 -0.07 -0.74 -4.11 0.00 0.00 178.44 173.90 1sjr h HIS 64 N 0.31 -0.17 0.00 0.17 2.76 -0.46 -3.04 115.15 114.72 1sjr h HIS 64 Ca 0.07 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1sjr h HIS 64 Cb 0.27 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1sjr h HIS 64 CO 0.01 0.29 -0.05 0.37 -1.30 0.00 0.00 177.93 177.24 1sjr h GLN 65 N -0.84 0.00 0.27 5.26 4.15 -1.46 0.57 115.11 123.06 1sjr h GLN 65 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1sjr h GLN 65 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1sjr h GLN 65 CO 0.03 0.05 -0.13 0.82 -1.93 0.00 0.00 178.83 177.67 1sjr h ILE 66 N 0.00 0.00 -0.07 2.39 2.04 -1.07 -3.27 117.51 117.52 1sjr h ILE 66 Ca -0.00 -0.09 -0.19 0.00 1.00 0.00 0.00 64.86 65.58 1sjr h ILE 66 Cb 0.14 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1sjr h ILE 66 CO 0.01 0.00 -0.76 -0.26 0.00 0.00 0.00 178.15 177.13 1sjr h PHE 67 N -0.45 0.61 -1.01 1.37 0.04 -1.47 -3.15 116.94 112.88 1sjr h PHE 67 Ca -0.04 -0.28 0.29 0.00 2.80 0.00 0.00 57.97 60.75 1sjr h PHE 67 Cb 0.28 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 1sjr h PHE 67 CO 0.11 1.05 1.04 1.03 -0.60 0.00 0.00 178.31 180.94 1sjr h SER 68 N 0.30 0.00 -0.10 2.17 0.87 0.09 0.97 113.55 117.85 1sjr h SER 68 Ca -0.04 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1sjr h SER 68 Cb 1.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1sjr h SER 68 CO 0.13 0.00 -0.44 0.50 -0.53 0.00 0.00 176.83 176.49 1sjr h LYS 69 N 0.00 0.48 0.00 2.24 3.64 -1.59 -2.92 116.57 118.42 1sjr h LYS 69 Ca 0.48 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1sjr h LYS 69 Cb 2.55 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.45 1sjr h LYS 69 CO -0.01 1.01 0.00 1.19 -2.27 0.00 0.00 179.45 179.37 1sjr n PHE 70 N -4.29 0.00 0.00 1.91 3.72 0.33 -4.89 117.46 114.24 1sjr n PHE 70 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1sjr n PHE 70 Cb 0.57 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1sjr n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjr n GLY 71 N 0.25 2.26 3.70 1.37 0.00 -0.77 -4.73 105.19 107.27 1sjr n GLY 71 Ca 0.08 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 3.53 -0.52 2.61 2.01 -1.26 -3.62 115.64 116.38 1sjr s THR 72 Ca 0.00 1.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.81 1sjr s THR 72 Cb 0.00 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.93 1sjr s THR 72 CO 0.00 0.03 0.65 -0.69 -0.69 0.00 0.00 174.62 173.92 1sjr s VAL 73 N 1.91 4.84 0.13 3.82 1.01 -1.26 -3.04 120.40 127.81 1sjr s VAL 73 Ca 0.65 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 1sjr s VAL 73 Cb -0.34 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1sjr s VAL 73 CO 0.28 -0.88 1.78 -0.07 0.00 0.00 0.00 175.10 176.22 1sjr h LEU 74 N 9.81 0.27 -8.65 3.92 4.07 -1.68 -3.41 115.31 119.64 1sjr h LEU 74 Ca -0.28 -0.01 -0.31 0.00 0.08 0.00 0.00 57.88 57.36 1sjr h LEU 74 Cb 1.09 -0.06 -0.12 0.00 1.08 0.00 0.00 40.66 42.65 1sjr h LEU 74 CO 0.99 0.19 -0.39 -0.54 -1.08 0.00 0.00 178.44 177.62 1sjr s LYS 75 N -6.17 1.65 -0.27 1.13 1.02 -1.24 0.19 119.74 116.04 1sjr s LYS 75 Ca -0.13 -1.77 -0.13 0.00 0.02 0.00 0.00 55.97 53.96 1sjr s LYS 75 Cb 0.09 0.36 0.10 0.00 -0.52 0.00 0.00 37.83 37.86 1sjr s LYS 75 CO 0.70 -0.63 0.64 0.42 -0.92 0.00 0.00 175.35 175.55 1sjr s ILE 76 N -3.55 -0.38 0.04 2.17 1.01 0.29 -2.98 121.20 117.80 1sjr s ILE 76 Ca 0.35 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.10 1sjr s ILE 76 Cb 0.02 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1sjr s ILE 76 CO 0.20 0.01 -0.23 -0.63 0.00 0.00 0.00 174.94 174.28 1sjr s ILE 77 N 2.11 1.87 0.00 2.92 -1.09 -0.50 0.11 121.20 126.62 1sjr s ILE 77 Ca -0.08 -1.25 -0.03 0.00 -2.23 0.00 0.00 60.65 57.06 1sjr s ILE 77 Cb -0.08 -1.60 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1sjr s ILE 77 CO -0.19 0.30 0.05 0.42 -1.23 0.00 0.00 174.94 174.30 1sjr s THR 78 N -0.77 0.08 0.16 2.92 -4.23 -0.34 -0.40 115.64 113.06 1sjr s THR 78 Ca 0.09 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 1sjr s THR 78 Cb -0.09 -0.29 0.06 0.00 1.34 0.00 0.00 72.50 73.52 1sjr s THR 78 CO 0.02 -0.36 0.84 2.22 -0.54 0.00 0.00 174.62 176.79 1sjr n PHE 79 N 1.82 -1.27 -3.65 3.99 1.16 -0.69 -4.73 117.46 114.09 1sjr n PHE 79 Ca -0.21 -1.08 -0.27 0.00 -1.87 0.00 0.00 57.45 54.02 1sjr n PHE 79 Cb 0.56 0.53 -0.16 0.00 -1.61 0.00 0.00 39.48 38.79 1sjr n PHE 79 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1sjr s THR 80 N -2.16 0.16 -1.12 1.97 2.01 -1.25 -1.23 115.64 114.02 1sjr s THR 80 Ca 0.19 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 1sjr s THR 80 Cb -0.02 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 1sjr s THR 80 CO 0.05 -0.35 2.21 1.17 -0.69 0.00 0.00 174.62 177.01 1sjr n LYS 81 N 5.18 2.34 -2.37 4.92 3.00 -0.42 -4.02 118.16 126.79 1sjr n LYS 81 Ca -0.07 -2.01 -0.05 0.00 -0.00 0.00 0.00 58.31 56.17 1sjr n LYS 81 Cb 0.47 -2.89 0.03 0.00 0.00 0.00 0.00 35.03 32.63 1sjr n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sjr n ASN 82 N 5.75 -2.19 0.00 3.14 3.02 -1.26 -3.80 115.26 119.91 1sjr n ASN 82 Ca 0.54 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1sjr n ASN 82 Cb 0.31 -1.89 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 1sjr n ASN 82 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sjr n ASN 83 N -1.69 -1.89 -4.03 6.41 0.23 -1.26 -5.04 115.26 108.00 1sjr n ASN 83 Ca -0.08 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.65 1sjr n ASN 83 Cb 0.55 -0.33 -0.13 0.00 -2.08 0.00 0.00 39.78 37.78 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1sjr s GLN 84 N -1.47 1.91 0.09 -3.83 -0.21 -1.25 -5.01 119.66 109.88 1sjr s GLN 84 Ca 0.00 -2.19 -0.31 0.00 0.02 0.00 0.00 55.36 52.88 1sjr s GLN 84 Cb 0.00 -3.40 -0.09 0.00 1.00 0.00 0.00 33.01 30.51 1sjr s GLN 84 CO 0.00 -1.05 1.81 0.12 -2.12 0.00 0.00 175.29 174.04 1sjr s PHE 85 N 0.45 2.03 -0.11 0.91 5.36 -1.26 -1.30 117.98 124.06 1sjr s PHE 85 Ca 0.13 -0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.03 1sjr s PHE 85 Cb -0.22 -4.13 0.06 0.00 -0.34 0.00 0.00 43.02 38.38 1sjr s PHE 85 CO -0.04 -4.74 0.24 -0.65 -1.46 0.00 0.00 175.22 168.57 1sjr s GLN 86 N 3.11 0.14 -0.16 10.12 -0.21 -0.36 -2.15 119.66 130.15 1sjr s GLN 86 Ca 0.80 0.64 0.01 0.00 0.02 0.00 0.00 55.36 56.84 1sjr s GLN 86 Cb -0.43 -0.10 0.01 0.00 1.00 0.00 0.00 33.01 33.49 1sjr s GLN 86 CO 0.36 -0.25 -0.20 0.00 -2.12 0.00 0.00 175.29 173.08 1sjr s ALA 87 N 2.03 2.33 -0.27 6.09 0.00 0.72 -1.71 121.76 130.94 1sjr s ALA 87 Ca -0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1sjr s ALA 87 Cb -0.12 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1sjr s ALA 87 CO -0.08 -0.20 -0.02 -0.51 0.00 0.00 0.00 175.76 174.95 1sjr s LEU 88 N 1.07 3.55 0.29 0.00 1.43 0.47 0.32 118.68 125.82 1sjr s LEU 88 Ca -0.01 -1.03 0.09 0.00 -1.03 0.00 0.00 54.13 52.16 1sjr s LEU 88 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1sjr s LEU 88 CO -0.07 -0.19 0.00 -1.48 0.23 0.00 0.00 176.35 174.84 1sjr s LEU 89 N 1.31 3.10 -0.01 1.79 0.05 -0.45 -1.41 118.68 123.06 1sjr s LEU 89 Ca -0.02 -0.78 0.07 0.00 0.05 0.00 0.00 54.13 53.45 1sjr s LEU 89 Cb -0.18 -1.58 -0.02 0.00 -2.05 0.00 0.00 46.19 42.36 1sjr s LEU 89 CO -0.02 -0.09 -0.22 -1.58 -0.55 0.00 0.00 176.35 173.89 1sjr s GLN 90 N -3.69 2.17 0.42 1.48 0.74 -1.16 -0.35 119.66 119.27 1sjr s GLN 90 Ca 0.33 -0.90 0.08 0.00 0.05 0.00 0.00 55.36 54.92 1sjr s GLN 90 Cb -0.04 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.92 1sjr s GLN 90 CO 0.20 0.57 0.53 0.71 -0.55 0.00 0.00 175.29 176.74 1sjr s TYR 91 N -0.72 2.74 0.12 1.67 2.02 0.65 -1.95 117.35 121.87 1sjr s TYR 91 Ca 0.11 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1sjr s TYR 91 Cb -0.10 -2.32 -0.18 0.00 -0.40 0.00 0.00 41.96 38.95 1sjr s TYR 91 CO 0.01 -0.37 1.26 0.00 -1.57 0.00 0.00 175.55 174.88 1sjr h ALA 92 N 0.72 0.30 -3.12 3.71 0.00 -1.82 -3.42 119.26 115.63 1sjr h ALA 92 Ca -0.40 -0.85 -0.16 0.00 0.00 0.00 0.00 54.91 53.49 1sjr h ALA 92 Cb 1.28 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 1sjr h ALA 92 CO 0.48 1.07 -0.44 0.16 0.00 0.00 0.00 179.25 180.52 1sjr s ASP 93 N -6.92 -0.23 0.61 0.00 1.47 -1.26 -4.98 116.67 105.35 1sjr s ASP 93 Ca -0.02 0.44 0.29 0.00 1.18 0.00 0.00 52.55 54.44 1sjr s ASP 93 Cb 0.09 0.47 1.61 0.00 -0.34 0.00 0.00 42.92 44.74 1sjr s ASP 93 CO 0.84 -0.11 1.99 -0.65 0.68 0.00 0.00 175.17 177.93 1sjr h PRO 94 N 5.64 0.00 -0.38 2.11 0.11 -1.92 -1.51 132.00 136.05 1sjr h PRO 94 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1sjr h PRO 94 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1sjr h PRO 94 CO 0.36 0.00 0.14 0.28 -0.21 0.00 0.00 178.00 178.57 1sjr h VAL 95 N 0.00 1.20 0.00 3.15 2.07 -2.00 0.18 116.25 120.86 1sjr h VAL 95 Ca 0.12 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1sjr h VAL 95 Cb 0.78 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1sjr h VAL 95 CO -0.00 0.23 0.00 0.77 0.02 0.00 0.00 177.57 178.59 1sjr h SER 96 N 0.47 0.00 0.45 0.57 4.64 -1.57 -3.09 113.55 115.02 1sjr h SER 96 Ca 0.12 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.14 1sjr h SER 96 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1sjr h SER 96 CO -0.01 0.00 -1.61 0.00 -0.87 0.00 0.00 176.83 174.34 1sjr h ALA 97 N 2.10 0.42 0.42 5.18 0.00 -1.24 -2.88 119.26 123.26 1sjr h ALA 97 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.66 1sjr h ALA 97 Cb 0.67 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sjr h ALA 97 CO 0.00 1.28 -0.20 1.96 0.00 0.00 0.00 179.25 182.29 1sjr h GLN 98 N 0.05 -0.54 -0.37 0.00 4.20 -0.60 -1.51 115.11 116.34 1sjr h GLN 98 Ca -0.27 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1sjr h GLN 98 Cb 2.00 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.89 1sjr h GLN 98 CO 0.13 -0.27 0.05 0.45 -0.67 0.00 0.00 178.83 178.52 1sjr h HIS 99 N -0.75 0.67 -0.18 2.96 3.86 -1.72 -3.09 115.15 116.90 1sjr h HIS 99 Ca -0.06 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1sjr h HIS 99 Cb 0.52 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 1sjr h HIS 99 CO -0.01 0.69 -0.20 0.00 0.86 0.00 0.00 177.93 179.27 1sjr h ALA 100 N 0.90 -0.11 -0.29 2.45 0.00 -1.51 0.34 119.26 121.04 1sjr h ALA 100 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1sjr h ALA 100 Cb 0.39 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1sjr h ALA 100 CO 0.01 -0.64 -0.46 -0.22 0.00 0.00 0.00 179.25 177.94 1sjr h LYS 101 N -0.23 -0.41 0.00 0.00 3.64 -1.23 0.25 116.57 118.59 1sjr h LYS 101 Ca 0.12 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1sjr h LYS 101 Cb 0.41 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sjr h LYS 101 CO -0.32 -0.27 -0.12 -0.07 -2.27 0.00 0.00 179.45 176.39 1sjr h LEU 102 N -0.42 0.00 -0.08 5.20 3.38 -1.40 1.35 115.31 123.34 1sjr h LEU 102 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sjr h LEU 102 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1sjr h LEU 102 CO -0.51 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 176.95 1sjr n SER 103 N -3.72 0.34 -0.13 -0.43 7.64 0.12 -3.49 113.62 113.95 1sjr n SER 103 Ca -0.02 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1sjr n SER 103 Cb 0.24 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1sjr n SER 103 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sjr n LEU 104 N -1.83 0.22 -4.47 -3.43 4.77 0.10 -4.93 117.00 107.43 1sjr n LEU 104 Ca 0.05 -0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 1sjr n LEU 104 Cb 0.33 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1sjr n LEU 104 CO 0.25 0.12 1.71 -0.67 -1.33 0.00 0.00 177.39 177.47 1sjr n ASP 105 N -0.08 5.06 0.00 -1.43 -0.08 0.45 -3.66 116.55 116.81 1sjr n ASP 105 Ca 0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1sjr n ASP 105 Cb 0.54 -1.65 0.00 0.00 2.34 0.00 0.00 41.12 42.35 1sjr n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sjr n GLY 106 N 4.58 1.87 3.31 0.27 0.00 -1.25 -4.95 105.19 109.02 1sjr n GLY 106 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1sjr n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjr s GLN 107 N -0.19 1.78 0.70 1.61 -1.52 -1.24 -5.01 119.66 115.78 1sjr s GLN 107 Ca 0.00 -1.02 -0.11 0.00 -1.95 0.00 0.00 55.36 52.28 1sjr s GLN 107 Cb 0.00 -1.88 0.02 0.00 -0.22 0.00 0.00 33.01 30.93 1sjr s GLN 107 CO 0.00 0.49 1.08 -0.80 -0.25 0.00 0.00 175.29 175.81 1sjr s ASN 108 N -1.06 5.39 -0.24 5.90 -0.87 -1.26 -3.84 114.94 118.97 1sjr s ASN 108 Ca 0.10 1.05 -0.14 0.00 -1.57 0.00 0.00 52.86 52.30 1sjr s ASN 108 Cb -0.10 -1.85 -0.10 0.00 -0.02 0.00 0.00 41.25 39.19 1sjr s ASN 108 CO 0.01 -1.35 -0.34 -0.38 -2.57 0.00 0.00 177.10 172.48 1sjr n ILE 109 N -2.98 1.45 -3.89 0.60 5.41 -1.25 -4.86 119.36 113.85 1sjr n ILE 109 Ca 0.07 -0.24 -0.32 0.00 1.00 0.00 0.00 62.75 63.25 1sjr n ILE 109 Cb 0.58 -1.96 -0.13 0.00 -0.71 0.00 0.00 39.64 37.41 1sjr n ILE 109 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1sjr s TYR 110 N -2.57 3.40 0.00 1.39 1.51 -1.26 -4.93 117.35 114.90 1sjr s TYR 110 Ca -0.34 -2.95 0.00 0.00 -1.01 0.00 0.00 57.07 52.76 1sjr s TYR 110 Cb 0.12 -2.98 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1sjr s TYR 110 CO 0.45 -0.83 0.00 0.09 -1.11 0.00 0.00 175.55 174.15 1sjr n ASN 111 N 3.59 -5.41 -1.27 2.29 4.13 -1.26 -4.59 115.26 112.73 1sjr n ASN 111 Ca 0.05 0.34 0.11 0.00 1.68 0.00 0.00 54.58 56.76 1sjr n ASN 111 Cb 0.36 -1.29 -0.06 0.00 -1.54 0.00 0.00 39.78 37.25 1sjr n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sjr n ALA 112 N 1.17 -2.96 -0.07 5.41 0.00 -1.26 -4.99 120.51 117.82 1sjr n ALA 112 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 53.44 54.12 1sjr n ALA 112 Cb 0.40 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.11 0.00 -4.22 0.00 -1.04 -1.26 -4.54 114.28 101.12 1sjr n THR 115 Ca -0.16 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.54 1sjr n THR 115 Cb 0.56 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 68.72 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 1.60 3.50 -0.28 -4.42 0.05 -1.25 -0.80 118.68 117.08 1sjr s LEU 116 Ca 0.80 -0.07 0.02 0.00 0.05 0.00 0.00 54.13 54.92 1sjr s LEU 116 Cb -1.13 -2.11 0.08 0.00 -2.05 0.00 0.00 46.19 40.98 1sjr s LEU 116 CO 0.58 0.23 -0.01 -0.13 -0.55 0.00 0.00 176.35 176.48 1sjr s ARG 117 N -1.88 1.56 -0.10 1.48 1.81 0.12 -3.89 118.95 118.05 1sjr s ARG 117 Ca 0.22 -1.32 -0.13 0.00 -1.72 0.00 0.00 55.73 52.78 1sjr s ARG 117 Cb -0.12 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.60 1sjr s ARG 117 CO 0.14 -0.74 0.32 0.42 -0.68 0.00 0.00 175.30 174.75 1sjr s ILE 118 N 1.23 5.24 -0.05 1.52 1.01 -1.24 0.27 121.20 129.19 1sjr s ILE 118 Ca 0.01 0.62 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 1sjr s ILE 118 Cb -0.19 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1sjr s ILE 118 CO -0.09 0.48 0.36 -1.81 0.00 0.00 0.00 174.94 173.88 1sjr s ASP 119 N -0.26 -0.28 0.12 3.58 1.11 -0.77 -4.82 116.67 115.34 1sjr s ASP 119 Ca 0.19 0.31 -0.32 0.00 0.18 0.00 0.00 52.55 52.92 1sjr s ASP 119 Cb -0.14 0.45 -0.11 0.00 1.07 0.00 0.00 42.92 44.19 1sjr s ASP 119 CO 0.07 -0.38 1.82 0.49 1.18 0.00 0.00 175.17 178.36 1sjr n PHE 120 N 1.65 2.61 -0.73 4.23 3.72 -1.26 0.17 117.46 127.85 1sjr n PHE 120 Ca -0.19 -0.12 -0.32 0.00 -0.05 0.00 0.00 57.45 56.77 1sjr n PHE 120 Cb 0.56 -2.72 0.15 0.00 -0.94 0.00 0.00 39.48 36.53 1sjr n PHE 120 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sjr n SER 121 N 5.49 -0.86 -0.06 4.37 2.88 -0.87 -4.84 113.62 119.73 1sjr n SER 121 Ca 0.18 0.37 -0.11 0.00 -1.33 0.00 0.00 58.87 57.98 1sjr n SER 121 Cb 0.36 -1.34 -0.15 0.00 -0.75 0.00 0.00 64.21 62.33 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 -3.02 0.67 -0.02 -1.46 3.00 -1.26 -4.07 118.16 112.00 1sjr n LYS 122 Ca 0.09 0.15 0.06 0.00 -0.00 0.00 0.00 58.31 58.62 1sjr n LYS 122 Cb 0.53 -1.65 0.33 0.00 0.00 0.00 0.00 35.03 34.24 1sjr n LYS 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sjr n LEU 123 N -2.97 0.31 -1.29 3.14 4.32 -1.26 -4.84 117.00 114.41 1sjr n LEU 123 Ca -0.27 -0.14 -0.14 0.00 -0.02 0.00 0.00 56.01 55.44 1sjr n LEU 123 Cb 1.09 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.80 1sjr n LEU 123 CO 0.42 0.07 -0.14 0.35 -1.22 0.00 0.00 177.39 176.88 1sjr n THR 124 N -0.49 0.00 0.00 -5.08 -2.24 -1.26 -4.80 114.28 100.41 1sjr n THR 124 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1sjr n THR 124 Cb 0.09 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1sjr n THR 124 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sjr n SER 125 N -0.75 0.00 -4.68 3.42 3.41 -1.26 -4.76 113.62 109.00 1sjr n SER 125 Ca -0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.12 1sjr n SER 125 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1sjr n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sjr s LEU 126 N 0.00 3.90 -0.80 1.04 2.01 -1.26 -4.95 118.68 118.62 1sjr s LEU 126 Ca 0.00 0.16 -0.26 0.00 0.01 0.00 0.00 54.13 54.04 1sjr s LEU 126 Cb 0.00 -1.97 -0.14 0.00 0.01 0.00 0.00 46.19 44.09 1sjr s LEU 126 CO 0.00 0.24 2.40 0.54 1.01 0.00 0.00 176.35 180.54 1sjr s ASN 127 N -0.01 3.88 -0.45 2.29 2.20 -1.26 -4.87 114.94 116.72 1sjr s ASN 127 Ca 0.06 0.02 -0.07 0.00 -0.94 0.00 0.00 52.86 51.93 1sjr s ASN 127 Cb -0.12 -2.55 0.12 0.00 -2.00 0.00 0.00 41.25 36.70 1sjr s ASN 127 CO 0.01 -3.90 0.30 -0.69 -2.94 0.00 0.00 177.10 169.88 1sjr s VAL 128 N 14.84 3.93 0.00 3.54 1.01 -1.26 -4.83 120.40 137.63 1sjr s VAL 128 Ca 0.92 -1.88 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1sjr s VAL 128 Cb -0.13 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1sjr s VAL 128 CO 0.08 -0.75 1.03 0.29 0.00 0.00 0.00 175.10 175.74 1sjr n LYS 129 N 4.81 0.00 -3.75 2.72 4.76 -1.26 -5.02 118.16 120.42 1sjr n LYS 129 Ca -0.06 -1.26 -0.12 0.00 -2.87 0.00 0.00 58.31 54.00 1sjr n LYS 129 Cb 0.41 -0.29 -0.12 0.00 -1.84 0.00 0.00 35.03 33.19 1sjr n LYS 129 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1sjr s TYR 130 N 0.00 -0.32 -0.45 2.13 1.51 -1.26 -4.10 117.35 114.86 1sjr s TYR 130 Ca 0.11 0.77 0.03 0.00 -1.01 0.00 0.00 57.07 56.97 1sjr s TYR 130 Cb 0.12 0.08 0.12 0.00 -0.11 0.00 0.00 41.96 42.18 1sjr s TYR 130 CO -0.05 -0.19 0.20 -0.80 -1.11 0.00 0.00 175.55 173.59 1sjr s ASN 131 N 0.75 4.29 0.29 2.29 0.01 0.26 -4.26 114.94 118.57 1sjr s ASN 131 Ca -0.05 -2.66 0.00 0.00 -0.71 0.00 0.00 52.86 49.44 1sjr s ASN 131 Cb -0.06 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.11 1sjr s ASN 131 CO -0.05 -0.28 0.00 -0.46 -1.51 0.00 0.00 177.10 174.80 1sjr n ASN 132 N 3.56 -0.27 0.00 -1.22 0.23 -1.25 -4.12 115.26 112.18 1sjr n ASN 132 Ca 0.05 0.50 0.00 0.00 -0.53 0.00 0.00 54.58 54.60 1sjr n ASN 132 Cb 0.35 0.49 0.00 0.00 -2.08 0.00 0.00 39.78 38.54 1sjr n ASN 132 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1sjr n ASP 133 N -3.46 0.00 0.26 0.53 5.75 -1.26 -4.93 116.55 113.43 1sjr n ASP 133 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.93 1sjr n ASP 133 Cb 0.00 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 40.68 1sjr n ASP 133 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1sjr h LYS 134 N 0.00 0.00 -4.15 0.11 1.57 -1.92 -3.45 116.57 108.72 1sjr h LYS 134 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1sjr h LYS 134 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 1sjr h LYS 134 CO 0.00 0.07 -0.53 -1.54 -0.57 0.00 0.00 179.45 176.88 1sjr s SER 135 N -5.88 0.25 -0.14 0.86 1.04 -1.26 -1.20 113.70 107.37 1sjr s SER 135 Ca 0.01 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 1sjr s SER 135 Cb 0.09 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1sjr s SER 135 CO 0.58 -0.74 0.30 -0.60 0.98 0.00 0.00 173.24 173.76 1sjr s ARG 136 N -3.97 0.20 -0.45 4.02 6.06 0.29 -3.92 118.95 121.18 1sjr s ARG 136 Ca 0.16 0.78 -0.06 0.00 -2.50 0.00 0.00 55.73 54.11 1sjr s ARG 136 Cb 0.06 0.02 0.12 0.00 0.06 0.00 0.00 34.95 35.21 1sjr s ARG 136 CO -0.03 -0.26 0.28 0.34 -2.50 0.00 0.00 175.30 173.13 1sjr s ASP 137 N 2.27 5.45 -0.08 -2.12 -1.08 -1.26 0.11 116.67 119.96 1sjr s ASP 137 Ca -0.01 -2.05 0.07 0.00 -0.52 0.00 0.00 52.55 50.04 1sjr s ASP 137 Cb -0.12 -1.91 0.33 0.00 -1.46 0.00 0.00 42.92 39.77 1sjr s ASP 137 CO -0.09 -0.59 1.08 -1.22 0.52 0.00 0.00 175.17 174.86 1sjr n TYR 138 N 4.64 0.77 -1.17 -5.34 4.01 0.50 -3.51 117.16 117.06 1sjr n TYR 138 Ca -0.04 -0.28 0.01 0.00 -0.16 0.00 0.00 57.90 57.43 1sjr n TYR 138 Cb 0.41 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1sjr n TYR 138 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1sjr n THR 139 N 0.30 0.26 -3.15 -0.72 5.66 -0.72 -4.82 114.28 111.10 1sjr n THR 139 Ca 0.11 -0.29 0.06 0.00 -3.05 0.00 0.00 64.05 60.88 1sjr n THR 139 Cb 0.56 0.70 -0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1sjr n THR 139 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1sjr s ARG 140 N -0.33 0.06 0.00 1.09 0.52 -1.23 -5.02 118.95 114.03 1sjr s ARG 140 Ca 0.02 0.06 0.13 0.00 -0.52 0.00 0.00 55.73 55.43 1sjr s ARG 140 Cb 0.02 0.03 0.44 0.00 0.52 0.00 0.00 34.95 35.96 1sjr s ARG 140 CO 0.00 -0.10 1.34 -0.35 0.02 0.00 0.00 175.30 176.21 1sjr n PRO 141 N 5.10 1.73 -0.63 3.54 -0.04 -1.26 -4.16 135.00 139.28 1sjr n PRO 141 Ca 0.08 -1.12 -0.12 0.00 -0.04 0.00 0.00 63.50 62.30 1sjr n PRO 141 Cb 0.58 -1.30 0.08 0.00 -0.04 0.00 0.00 33.50 32.83 1sjr n PRO 141 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sjr n ASP 142 N 0.39 3.67 -4.66 3.54 -0.08 -1.26 -4.89 116.55 113.26 1sjr n ASP 142 Ca 0.13 -2.81 -0.31 0.00 -1.51 0.00 0.00 54.79 50.29 1sjr n ASP 142 Cb 0.29 -0.70 -0.09 0.00 2.34 0.00 0.00 41.12 42.96 1sjr n ASP 142 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1sjr s LEU 143 N -1.62 3.38 1.10 -2.67 2.01 -1.26 -5.11 118.68 114.51 1sjr s LEU 143 Ca 0.28 -0.19 -0.15 0.00 0.01 0.00 0.00 54.13 54.09 1sjr s LEU 143 Cb 0.23 -2.08 0.24 0.00 0.01 0.00 0.00 46.19 44.59 1sjr s LEU 143 CO 0.05 0.20 1.08 -2.16 1.01 0.00 0.00 176.35 176.52 1sjr s PRO 144 N -2.13 -0.40 -0.23 1.29 0.04 -1.26 -4.49 135.00 127.83 1sjr s PRO 144 Ca 0.24 0.37 0.13 0.00 0.04 0.00 0.00 61.00 61.78 1sjr s PRO 144 Cb -0.12 -1.65 0.45 0.00 0.04 0.00 0.00 34.50 33.23 1sjr s PRO 144 CO 0.16 -3.26 1.18 0.43 0.04 0.00 0.00 177.00 175.55 1sjr n SER 145 N -4.52 2.97 0.00 6.66 7.64 -1.26 0.89 113.62 126.00 1sjr n SER 145 Ca 0.07 -3.29 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1sjr n SER 145 Cb 0.58 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1sjr n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjr n GLY 146 N -0.66 0.96 0.00 0.23 0.00 -1.26 -4.75 105.19 99.70 1sjr n GLY 146 Ca 0.26 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1sjr n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66