#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 -4.92 -0.25 -5.12 0.00 -1.26 -5.06 121.76 105.15 1sjr s ALA 41 Ca 0.00 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.52 1sjr s ALA 41 Cb 0.00 -3.07 -0.16 0.00 0.00 0.00 0.00 23.12 19.89 1sjr s ALA 41 CO 0.00 -2.51 -0.22 0.41 0.00 0.00 0.00 175.76 173.44 1sjr n GLY 42 N 3.73 -0.34 1.39 0.00 0.00 -1.26 -5.08 105.19 103.63 1sjr n GLY 42 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.23 0.00 -3.62 1.61 -0.06 -1.26 -5.10 117.38 105.72 1sjr n GLN 43 Ca -0.44 0.46 -0.20 0.00 -2.00 0.00 0.00 57.00 54.82 1sjr n GLN 43 Cb 0.96 -1.39 -0.16 0.00 -4.06 0.00 0.00 30.24 25.60 1sjr n GLN 43 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1sjr s SER 44 N -1.24 1.38 -1.07 1.69 0.01 -1.26 -4.93 113.70 108.28 1sjr s SER 44 Ca 0.00 -0.08 -0.22 0.00 1.31 0.00 0.00 55.95 56.96 1sjr s SER 44 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1sjr s SER 44 CO 0.00 -0.29 1.69 -2.16 0.41 0.00 0.00 173.24 172.89 1sjr s PRO 45 N 2.23 3.29 -0.27 12.44 0.04 -1.26 -4.88 135.00 146.59 1sjr s PRO 45 Ca 0.04 -1.10 -0.03 0.00 0.04 0.00 0.00 61.00 59.95 1sjr s PRO 45 Cb -0.14 -5.31 0.10 0.00 0.04 0.00 0.00 34.50 29.19 1sjr s PRO 45 CO -0.07 -2.71 0.17 0.08 0.04 0.00 0.00 177.00 174.50 1sjr s VAL 46 N 6.78 -0.16 0.20 -0.36 1.01 -1.26 -1.01 120.40 125.60 1sjr s VAL 46 Ca 0.56 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1sjr s VAL 46 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1sjr s VAL 46 CO -0.01 -0.58 0.21 -0.76 0.00 0.00 0.00 175.10 173.95 1sjr s LEU 47 N 2.18 3.96 -0.15 3.92 1.43 -0.34 0.14 118.68 129.81 1sjr s LEU 47 Ca 0.08 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1sjr s LEU 47 Cb -0.16 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.59 1sjr s LEU 47 CO -0.31 0.01 0.00 -0.60 0.23 0.00 0.00 176.35 175.68 1sjr s ARG 48 N -3.49 0.87 0.39 1.70 3.52 0.36 -1.36 118.95 120.94 1sjr s ARG 48 Ca 0.32 -0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 1sjr s ARG 48 Cb -0.09 -1.78 -0.09 0.00 -1.56 0.00 0.00 34.95 31.43 1sjr s ARG 48 CO 0.25 -0.49 0.85 0.42 -0.81 0.00 0.00 175.30 175.52 1sjr s ILE 49 N 1.82 4.57 -0.14 4.11 1.01 0.78 -2.00 121.20 131.35 1sjr s ILE 49 Ca 0.01 1.14 -0.04 0.00 0.00 0.00 0.00 60.65 61.76 1sjr s ILE 49 Cb -0.15 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.74 1sjr s ILE 49 CO -0.07 -0.33 0.08 -0.63 0.00 0.00 0.00 174.94 173.99 1sjr s ILE 50 N -2.17 -0.06 -0.21 2.92 1.01 -0.45 -1.64 121.20 120.59 1sjr s ILE 50 Ca 0.57 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.88 1sjr s ILE 50 Cb -0.10 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1sjr s ILE 50 CO 0.19 -0.18 1.25 0.54 0.00 0.00 0.00 174.94 176.74 1sjr s VAL 51 N 2.13 4.28 0.39 2.92 0.11 -1.10 -1.47 120.40 127.67 1sjr s VAL 51 Ca 0.03 1.52 0.08 0.00 -2.93 0.00 0.00 61.98 60.67 1sjr s VAL 51 Cb -0.15 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1sjr s VAL 51 CO -0.08 -0.24 0.29 -1.61 -3.33 0.00 0.00 175.10 170.13 1sjr s GLU 52 N 3.67 2.47 -0.55 1.54 2.02 -0.15 -4.73 118.70 122.96 1sjr s GLU 52 Ca 0.54 -1.57 -0.17 0.00 0.02 0.00 0.00 54.97 53.78 1sjr s GLU 52 Cb -0.19 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 31.79 1sjr s GLU 52 CO 0.16 -0.10 0.55 0.09 0.02 0.00 0.00 175.26 175.98 1sjr n ASN 53 N -1.40 -4.40 -4.53 -0.19 3.02 -1.26 -3.63 115.26 102.88 1sjr n ASN 53 Ca 0.01 -0.49 -0.51 0.00 -0.03 0.00 0.00 54.58 53.55 1sjr n ASN 53 Cb 0.62 -1.36 -0.05 0.00 -0.61 0.00 0.00 39.78 38.38 1sjr n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sjr n LEU 54 N -1.24 0.68 0.00 3.41 -0.00 -1.26 -4.04 117.00 114.54 1sjr n LEU 54 Ca -0.18 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 1sjr n LEU 54 Cb 0.60 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1sjr n LEU 54 CO 0.51 -1.74 0.00 0.33 -0.00 0.00 0.00 177.39 176.49 1sjr n PHE 55 N 1.23 -1.68 -4.30 1.47 7.35 -1.26 -4.95 117.46 115.32 1sjr n PHE 55 Ca 0.17 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.67 1sjr n PHE 55 Cb 0.21 0.45 -0.13 0.00 0.35 0.00 0.00 39.48 40.35 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 -1.89 0.97 0.68 -5.13 2.02 -1.26 -5.04 117.35 107.69 1sjr s TYR 56 Ca 0.00 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 1sjr s TYR 56 Cb 0.00 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 1sjr s TYR 56 CO 0.00 -0.00 1.07 -1.25 -1.57 0.00 0.00 175.55 173.80 1sjr s PRO 57 N -0.88 2.93 0.27 -1.71 0.04 -1.26 -4.91 135.00 129.49 1sjr s PRO 57 Ca 0.00 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.18 1sjr s PRO 57 Cb -0.07 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1sjr s PRO 57 CO 0.01 -1.11 0.16 1.33 0.04 0.00 0.00 177.00 177.42 1sjr n VAL 58 N -2.83 0.00 -3.83 -0.36 0.24 -1.26 -5.17 118.33 105.12 1sjr n VAL 58 Ca 0.08 -1.77 -0.10 0.00 -2.04 0.00 0.00 64.34 60.51 1sjr n VAL 58 Cb 0.53 0.77 0.02 0.00 -1.47 0.00 0.00 33.84 33.70 1sjr n VAL 58 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1sjr s THR 59 N -2.85 0.00 0.24 3.34 -1.32 -1.26 -5.04 115.64 108.75 1sjr s THR 59 Ca 0.23 -1.06 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 1sjr s THR 59 Cb 0.01 -2.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.04 1sjr s THR 59 CO 0.16 0.00 1.60 -0.07 -2.21 0.00 0.00 174.62 174.10 1sjr h LEU 60 N 2.01 0.42 0.06 9.08 3.38 -1.99 -3.09 115.31 125.18 1sjr h LEU 60 Ca -0.33 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1sjr h LEU 60 Cb 1.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1sjr h LEU 60 CO 0.42 0.84 -0.16 0.44 0.09 0.00 0.00 178.44 180.07 1sjr h ASP 61 N 0.31 -0.45 -0.61 -0.43 5.19 -1.99 -1.02 116.42 117.41 1sjr h ASP 61 Ca 0.02 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1sjr h ASP 61 Cb 0.96 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.61 1sjr h ASP 61 CO 0.08 -0.23 0.37 1.62 -3.12 0.00 0.00 179.24 177.97 1sjr h VAL 62 N -0.29 1.06 -0.94 -1.35 3.04 -1.97 -1.16 116.25 114.63 1sjr h VAL 62 Ca 0.03 -0.25 0.04 0.00 -1.01 0.00 0.00 66.70 65.51 1sjr h VAL 62 Cb 0.33 0.27 -0.06 0.00 -2.01 0.00 0.00 31.29 29.82 1sjr h VAL 62 CO -0.11 0.13 0.61 -0.07 -1.01 0.00 0.00 177.57 177.12 1sjr h LEU 63 N 0.72 1.02 0.61 3.16 3.38 -1.39 -1.06 115.31 121.75 1sjr h LEU 63 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1sjr h LEU 63 Cb 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.57 1sjr h LEU 63 CO -0.11 0.70 -0.29 -0.74 0.09 0.00 0.00 178.44 178.08 1sjr h HIS 64 N 1.19 -0.76 0.00 1.13 2.76 -0.54 -0.89 115.15 118.04 1sjr h HIS 64 Ca 0.38 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1sjr h HIS 64 Cb 0.01 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1sjr h HIS 64 CO -0.01 -0.47 0.27 1.96 -1.30 0.00 0.00 177.93 178.38 1sjr h GLN 65 N -1.09 0.00 0.00 5.26 4.20 -1.17 0.92 115.11 123.23 1sjr h GLN 65 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1sjr h GLN 65 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1sjr h GLN 65 CO 0.14 0.00 -0.07 0.82 -0.67 0.00 0.00 178.83 179.05 1sjr h ILE 66 N 0.00 0.00 0.00 2.54 2.04 -0.99 -3.37 117.51 117.73 1sjr h ILE 66 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1sjr h ILE 66 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1sjr h ILE 66 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 1sjr n PHE 67 N -2.94 0.67 1.99 1.37 3.72 -0.36 -2.02 117.46 119.90 1sjr n PHE 67 Ca -0.01 0.26 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 1sjr n PHE 67 Cb 0.04 -0.92 0.80 0.00 -0.94 0.00 0.00 39.48 38.45 1sjr n PHE 67 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sjr n SER 68 N -2.11 0.00 -0.12 4.37 2.88 0.32 -2.86 113.62 116.10 1sjr n SER 68 Ca 0.02 -1.15 -0.25 0.00 -1.33 0.00 0.00 58.87 56.16 1sjr n SER 68 Cb 0.22 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.92 0.57 0.00 -1.46 4.81 -0.86 -4.24 118.16 116.07 1sjr n LYS 69 Ca 0.20 0.42 0.10 0.00 -0.87 0.00 0.00 58.31 58.17 1sjr n LYS 69 Cb 0.09 -1.62 0.47 0.00 0.02 0.00 0.00 35.03 33.99 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 -4.35 0.00 0.00 5.64 3.01 -1.24 -4.91 117.46 115.61 1sjr n PHE 70 Ca -0.42 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.04 1sjr n PHE 70 Cb 0.77 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 0.69 1.09 3.70 1.37 0.00 -1.14 -4.79 105.19 106.11 1sjr n GLY 71 Ca 0.06 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 3.74 -0.49 2.61 2.01 -1.26 -3.59 115.64 116.67 1sjr s THR 72 Ca 0.00 1.18 -0.17 0.00 0.31 0.00 0.00 61.69 63.01 1sjr s THR 72 Cb 0.00 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1sjr s THR 72 CO 0.00 0.04 0.52 -0.69 -0.69 0.00 0.00 174.62 173.79 1sjr s VAL 73 N 1.83 5.04 0.06 3.82 1.01 -1.26 -2.82 120.40 128.08 1sjr s VAL 73 Ca 0.62 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 1sjr s VAL 73 Cb -0.31 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 31.68 1sjr s VAL 73 CO 0.27 -0.69 1.54 -0.07 0.00 0.00 0.00 175.10 176.16 1sjr h LEU 74 N 9.27 -0.43 -8.34 3.92 4.07 -1.79 -3.42 115.31 118.59 1sjr h LEU 74 Ca -0.28 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 57.51 1sjr h LEU 74 Cb 1.10 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.86 1sjr h LEU 74 CO 0.92 -0.22 -0.19 -0.54 -1.08 0.00 0.00 178.44 177.33 1sjr s LYS 75 N -5.67 1.59 -0.05 1.13 1.02 -1.26 -1.12 119.74 115.39 1sjr s LYS 75 Ca -0.15 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 1sjr s LYS 75 Cb 0.04 0.44 0.08 0.00 -0.52 0.00 0.00 37.83 37.87 1sjr s LYS 75 CO 0.61 -0.65 0.71 0.42 -0.92 0.00 0.00 175.35 175.52 1sjr s ILE 76 N -3.80 0.00 0.09 2.17 1.01 0.29 -2.94 121.20 118.03 1sjr s ILE 76 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1sjr s ILE 76 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1sjr s ILE 76 CO 0.12 0.00 0.39 -0.63 0.00 0.00 0.00 174.94 174.82 1sjr s ILE 77 N -1.32 0.07 0.07 2.92 1.01 -0.75 0.15 121.20 123.34 1sjr s ILE 77 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1sjr s ILE 77 Cb -0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1sjr s ILE 77 CO 0.08 -0.31 -0.05 0.42 0.00 0.00 0.00 174.94 175.07 1sjr s THR 78 N -3.28 0.44 0.08 2.92 -4.23 0.73 0.58 115.64 112.88 1sjr s THR 78 Ca -0.00 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1sjr s THR 78 Cb 0.01 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.51 1sjr s THR 78 CO -0.08 -0.84 0.39 2.22 -0.54 0.00 0.00 174.62 175.78 1sjr n PHE 79 N 0.33 -0.93 -3.66 3.99 -1.74 -0.91 -4.69 117.46 109.86 1sjr n PHE 79 Ca -0.15 -0.51 -0.25 0.00 -0.56 0.00 0.00 57.45 55.98 1sjr n PHE 79 Cb 0.60 0.25 -0.17 0.00 1.52 0.00 0.00 39.48 41.67 1sjr n PHE 79 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1sjr s THR 80 N -2.40 0.08 -1.46 1.97 2.01 -1.26 -1.24 115.64 113.35 1sjr s THR 80 Ca 0.09 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 1sjr s THR 80 Cb -0.01 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 1sjr s THR 80 CO 0.02 -0.13 2.46 1.17 -0.69 0.00 0.00 174.62 177.45 1sjr n LYS 81 N 5.22 3.04 0.00 4.92 3.00 -1.18 -4.26 118.16 128.90 1sjr n LYS 81 Ca -0.07 -2.39 0.00 0.00 -0.00 0.00 0.00 58.31 55.86 1sjr n LYS 81 Cb 0.49 -3.08 0.00 0.00 0.00 0.00 0.00 35.03 32.44 1sjr n LYS 81 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sjr n ASN 82 N 5.26 0.00 0.00 3.14 5.15 -1.26 -4.23 115.26 123.32 1sjr n ASN 82 Ca 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1sjr n ASN 82 Cb 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1sjr n ASN 82 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sjr n ASN 83 N 0.00 0.00 -3.45 1.20 4.13 -1.26 -5.12 115.26 110.75 1sjr n ASN 83 Ca 0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1sjr n ASN 83 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1sjr s GLN 84 N 0.00 0.49 0.12 3.52 -0.21 -1.26 -5.10 119.66 117.21 1sjr s GLN 84 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.03 1sjr s GLN 84 Cb 0.00 -1.13 -0.10 0.00 1.00 0.00 0.00 33.01 32.79 1sjr s GLN 84 CO 0.00 -1.17 1.70 0.12 -2.12 0.00 0.00 175.29 173.83 1sjr s PHE 85 N 1.39 2.49 0.14 0.91 2.19 -1.25 -3.08 117.98 120.77 1sjr s PHE 85 Ca 0.16 0.26 0.01 0.00 0.33 0.00 0.00 56.93 57.68 1sjr s PHE 85 Cb -0.20 -4.05 -0.04 0.00 -1.31 0.00 0.00 43.02 37.42 1sjr s PHE 85 CO -0.08 -4.17 0.01 -0.65 1.83 0.00 0.00 175.22 172.16 1sjr s GLN 86 N 2.27 0.98 -0.17 10.12 -0.21 -0.37 -2.71 119.66 129.57 1sjr s GLN 86 Ca 0.76 -1.46 -0.04 0.00 0.02 0.00 0.00 55.36 54.64 1sjr s GLN 86 Cb -0.44 -0.06 0.07 0.00 1.00 0.00 0.00 33.01 33.58 1sjr s GLN 86 CO 0.33 -0.16 0.14 0.00 -2.12 0.00 0.00 175.29 173.49 1sjr s ALA 87 N -3.79 0.14 0.44 6.09 0.00 -0.65 -2.14 121.76 121.84 1sjr s ALA 87 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1sjr s ALA 87 Cb 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1sjr s ALA 87 CO 0.01 -1.12 0.73 -0.51 0.00 0.00 0.00 175.76 174.87 1sjr s LEU 88 N 2.21 3.74 -0.24 0.00 1.43 0.20 -0.16 118.68 125.86 1sjr s LEU 88 Ca 0.04 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 53.75 1sjr s LEU 88 Cb -0.16 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.36 1sjr s LEU 88 CO -0.10 -0.48 0.79 -1.48 0.23 0.00 0.00 176.35 175.31 1sjr s LEU 89 N -4.48 -0.66 -0.31 1.79 2.34 -0.46 -1.82 118.68 115.08 1sjr s LEU 89 Ca 0.46 1.21 -0.00 0.00 0.06 0.00 0.00 54.13 55.85 1sjr s LEU 89 Cb -0.10 2.33 0.06 0.00 -0.56 0.00 0.00 46.19 47.92 1sjr s LEU 89 CO 0.41 -0.27 0.01 -1.58 -1.06 0.00 0.00 176.35 173.85 1sjr s GLN 90 N 0.12 2.27 1.12 1.48 2.00 -1.15 -1.20 119.66 124.29 1sjr s GLN 90 Ca -0.01 -1.39 -0.16 0.00 -2.00 0.00 0.00 55.36 51.80 1sjr s GLN 90 Cb -0.04 -3.17 0.25 0.00 0.80 0.00 0.00 33.01 30.84 1sjr s GLN 90 CO 0.00 -0.69 1.09 0.71 -0.50 0.00 0.00 175.29 175.91 1sjr s TYR 91 N 1.18 1.29 -0.80 1.67 2.02 -0.18 -2.48 117.35 120.06 1sjr s TYR 91 Ca -0.03 0.77 0.25 0.00 -0.37 0.00 0.00 57.07 57.69 1sjr s TYR 91 Cb -0.20 -3.32 0.42 0.00 -0.40 0.00 0.00 41.96 38.46 1sjr s TYR 91 CO -0.03 -3.47 1.36 0.00 -1.57 0.00 0.00 175.55 171.84 1sjr n ALA 92 N -4.54 3.20 -3.53 3.71 0.00 -1.13 -4.72 120.51 113.51 1sjr n ALA 92 Ca 0.08 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1sjr n ALA 92 Cb 0.58 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1sjr n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjr s ASP 93 N -3.65 -0.65 0.47 0.00 1.11 -1.26 -5.02 116.67 107.68 1sjr s ASP 93 Ca 0.08 1.19 0.18 0.00 0.18 0.00 0.00 52.55 54.19 1sjr s ASP 93 Cb 0.15 1.20 1.16 0.00 1.07 0.00 0.00 42.92 46.50 1sjr s ASP 93 CO 0.71 -0.26 2.03 1.55 1.18 0.00 0.00 175.17 180.38 1sjr h PRO 94 N 4.91 0.00 -0.66 8.23 0.13 -1.90 -2.72 132.00 140.00 1sjr h PRO 94 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1sjr h PRO 94 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1sjr h PRO 94 CO 0.14 0.16 0.36 0.28 -0.23 0.00 0.00 178.00 178.71 1sjr h VAL 95 N 0.00 1.21 0.00 1.56 2.07 -1.99 0.66 116.25 119.75 1sjr h VAL 95 Ca -0.00 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1sjr h VAL 95 Cb 0.31 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1sjr h VAL 95 CO 0.02 0.22 -0.65 0.28 0.02 0.00 0.00 177.57 177.47 1sjr h SER 96 N 0.90 0.00 -0.18 0.57 0.02 -1.80 -3.10 113.55 109.96 1sjr h SER 96 Ca 0.23 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.00 1sjr h SER 96 Cb 0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1sjr h SER 96 CO -0.04 0.65 -0.61 0.00 -1.14 0.00 0.00 176.83 175.69 1sjr h ALA 97 N 1.35 0.31 0.19 3.77 0.00 -1.18 -1.16 119.26 122.55 1sjr h ALA 97 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sjr h ALA 97 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1sjr h ALA 97 CO 0.08 0.57 -0.17 1.96 0.00 0.00 0.00 179.25 181.70 1sjr h GLN 98 N 0.44 -0.37 -0.25 0.00 4.20 -0.88 0.16 115.11 118.41 1sjr h GLN 98 Ca -0.03 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1sjr h GLN 98 Cb 1.24 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1sjr h GLN 98 CO 0.13 -0.24 0.02 0.45 -0.67 0.00 0.00 178.83 178.51 1sjr h HIS 99 N -0.38 0.46 -0.84 2.96 3.86 -1.61 -2.92 115.15 116.67 1sjr h HIS 99 Ca -0.00 -0.07 0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1sjr h HIS 99 Cb 0.35 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 1sjr h HIS 99 CO -0.13 0.57 0.55 0.00 0.86 0.00 0.00 177.93 179.78 1sjr h ALA 100 N 0.83 1.62 0.31 2.45 0.00 -1.07 0.54 119.26 123.94 1sjr h ALA 100 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sjr h ALA 100 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sjr h ALA 100 CO 0.01 0.24 -0.28 -0.22 0.00 0.00 0.00 179.25 179.00 1sjr h LYS 101 N 0.89 -0.59 0.00 0.00 3.64 -0.50 -0.88 116.57 119.13 1sjr h LYS 101 Ca 0.37 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1sjr h LYS 101 Cb 0.29 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1sjr h LYS 101 CO -0.14 -0.39 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.19 1sjr h LEU 102 N -0.61 0.00 -1.47 5.20 3.38 -1.38 0.66 115.31 121.10 1sjr h LEU 102 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sjr h LEU 102 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sjr h LEU 102 CO -0.04 0.39 0.00 0.28 0.09 0.00 0.00 178.44 179.16 1sjr h SER 103 N 0.00 0.00 0.00 -0.43 0.02 0.50 -3.15 113.55 110.49 1sjr h SER 103 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sjr h SER 103 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1sjr h SER 103 CO 0.05 0.00 -0.09 0.18 -1.14 0.00 0.00 176.83 175.83 1sjr n LEU 104 N -3.09 0.62 -4.72 5.07 4.77 -0.37 -4.98 117.00 114.30 1sjr n LEU 104 Ca 0.01 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 1sjr n LEU 104 Cb 0.30 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1sjr n LEU 104 CO 0.27 0.21 1.28 1.51 -1.33 0.00 0.00 177.39 179.34 1sjr s ASP 105 N -0.64 6.50 -0.45 -1.43 -4.77 0.23 -2.25 116.67 113.87 1sjr s ASP 105 Ca 0.03 2.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.99 1sjr s ASP 105 Cb 0.02 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1sjr s ASP 105 CO 0.00 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 175.60 1sjr n GLY 106 N 3.79 -0.28 3.86 2.12 0.00 -1.01 -4.89 105.19 108.78 1sjr n GLY 106 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1sjr n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjr s GLN 107 N -4.44 3.71 0.91 1.61 2.00 -0.95 -4.78 119.66 117.72 1sjr s GLN 107 Ca 0.00 0.14 -0.12 0.00 -2.00 0.00 0.00 55.36 53.38 1sjr s GLN 107 Cb 0.00 -3.15 0.14 0.00 0.80 0.00 0.00 33.01 30.80 1sjr s GLN 107 CO 0.00 0.68 1.12 0.54 -0.50 0.00 0.00 175.29 177.13 1sjr s ASN 108 N -1.31 3.48 -0.07 6.67 4.22 -1.26 -2.44 114.94 124.23 1sjr s ASN 108 Ca 0.24 1.07 0.07 0.00 -2.14 0.00 0.00 52.86 52.09 1sjr s ASN 108 Cb -0.14 -1.69 -0.09 0.00 1.28 0.00 0.00 41.25 40.61 1sjr s ASN 108 CO 0.13 -2.58 0.03 -0.38 -2.04 0.00 0.00 177.10 172.25 1sjr n ILE 109 N -3.80 0.51 -3.75 0.54 5.41 -1.05 -4.86 119.36 112.36 1sjr n ILE 109 Ca 0.06 -0.31 -0.29 0.00 1.00 0.00 0.00 62.75 63.21 1sjr n ILE 109 Cb 0.58 -0.80 -0.12 0.00 -0.71 0.00 0.00 39.64 38.59 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 -2.18 2.49 0.00 1.39 1.51 -1.19 -4.95 117.35 114.41 1sjr s TYR 110 Ca -0.04 -2.79 0.00 0.00 -1.01 0.00 0.00 57.07 53.23 1sjr s TYR 110 Cb 0.02 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1sjr s TYR 110 CO 0.30 -0.71 0.00 0.09 -1.11 0.00 0.00 175.55 174.12 1sjr n ASN 111 N 2.89 0.00 -2.65 2.29 3.02 -1.26 -2.54 115.26 117.00 1sjr n ASN 111 Ca 0.15 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.65 1sjr n ASN 111 Cb 0.36 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.62 1sjr n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sjr n ALA 112 N 0.00 0.33 -2.89 5.41 0.00 -1.26 -4.87 120.51 117.22 1sjr n ALA 112 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 1sjr n ALA 112 Cb 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.80 0.00 -3.47 0.00 -1.04 -1.24 -4.41 114.28 100.33 1sjr n THR 115 Ca -0.06 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1sjr n THR 115 Cb 0.55 -0.41 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 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 5.43 4.38 -0.27 -4.42 0.05 -1.02 -0.98 118.68 121.84 1sjr s LEU 116 Ca 1.00 0.83 0.01 0.00 0.05 0.00 0.00 54.13 56.02 1sjr s LEU 116 Cb -1.17 -2.56 0.05 0.00 -2.05 0.00 0.00 46.19 40.46 1sjr s LEU 116 CO 0.50 0.20 -0.07 -0.13 -0.55 0.00 0.00 176.35 176.31 1sjr s ARG 117 N -0.36 2.38 0.10 1.48 1.81 -0.54 -2.40 118.95 121.41 1sjr s ARG 117 Ca 0.23 -1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 52.83 1sjr s ARG 117 Cb -0.15 -2.99 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 1sjr s ARG 117 CO 0.11 -0.56 0.48 0.42 -0.68 0.00 0.00 175.30 175.06 1sjr s ILE 118 N 1.18 4.95 -0.03 1.52 1.01 -1.26 -1.34 121.20 127.24 1sjr s ILE 118 Ca -0.06 0.74 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1sjr s ILE 118 Cb -0.19 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.62 1sjr s ILE 118 CO -0.04 0.33 0.57 1.51 0.00 0.00 0.00 174.94 177.32 1sjr s ASP 119 N -1.58 -0.52 -0.07 3.58 -4.77 -0.84 -4.89 116.67 107.56 1sjr s ASP 119 Ca 0.33 0.50 -0.30 0.00 -3.30 0.00 0.00 52.55 49.78 1sjr s ASP 119 Cb -0.15 0.48 -0.06 0.00 -1.09 0.00 0.00 42.92 42.10 1sjr s ASP 119 CO 0.18 -0.59 1.75 -0.36 0.70 0.00 0.00 175.17 176.84 1sjr s PHE 120 N -1.42 1.81 0.70 2.11 0.08 -1.26 0.13 117.98 120.14 1sjr s PHE 120 Ca -0.11 0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.92 1sjr s PHE 120 Cb -0.01 -3.99 -0.04 0.00 -0.57 0.00 0.00 43.02 38.40 1sjr s PHE 120 CO 0.07 -4.06 0.53 0.45 -0.10 0.00 0.00 175.22 172.11 1sjr n SER 121 N 7.72 -1.16 0.04 1.36 2.88 0.38 -4.87 113.62 119.97 1sjr n SER 121 Ca 0.19 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.45 1sjr n SER 121 Cb 0.43 -1.21 -0.05 0.00 -0.75 0.00 0.00 64.21 62.63 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 -0.65 0.48 -0.17 -1.46 4.81 -1.26 -3.98 118.16 115.93 1sjr n LYS 122 Ca 0.10 -0.03 0.03 0.00 -0.87 0.00 0.00 58.31 57.55 1sjr n LYS 122 Cb 0.50 -1.63 0.11 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.23 1.64 -1.37 3.14 4.77 -1.26 -4.85 117.00 116.83 1sjr n LEU 123 Ca -0.00 -0.82 -0.15 0.00 -0.03 0.00 0.00 56.01 55.01 1sjr n LEU 123 Cb 0.50 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1sjr n LEU 123 CO 0.42 0.34 -0.14 0.35 -1.33 0.00 0.00 177.39 177.02 1sjr n THR 124 N 0.21 0.00 0.00 -5.08 -2.24 -1.26 -4.75 114.28 101.16 1sjr n THR 124 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1sjr n THR 124 Cb 0.30 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 1sjr n THR 124 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sjr n SER 125 N -0.76 0.00 -4.19 3.42 7.64 -1.26 -4.93 113.62 113.54 1sjr n SER 125 Ca -0.15 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 1sjr n SER 125 Cb 0.51 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 1sjr n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1sjr s LEU 126 N 0.00 2.89 -0.25 -3.43 2.34 -1.26 -4.90 118.68 114.07 1sjr s LEU 126 Ca 0.00 -0.75 -0.28 0.00 0.06 0.00 0.00 54.13 53.15 1sjr s LEU 126 Cb 0.00 -1.63 -0.06 0.00 -0.56 0.00 0.00 46.19 43.95 1sjr s LEU 126 CO 0.00 -0.08 2.24 -0.46 -1.06 0.00 0.00 176.35 176.99 1sjr n ASN 127 N 4.67 3.12 -3.80 1.48 6.94 -1.26 -4.93 115.26 121.48 1sjr n ASN 127 Ca -0.18 0.16 -0.30 0.00 -0.02 0.00 0.00 54.58 54.25 1sjr n ASN 127 Cb 0.48 -1.54 -0.15 0.00 -2.36 0.00 0.00 39.78 36.21 1sjr n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sjr s VAL 128 N 8.55 1.15 -0.27 3.53 1.01 -1.26 -4.95 120.40 128.15 1sjr s VAL 128 Ca 1.01 -1.46 0.21 0.00 0.00 0.00 0.00 61.98 61.75 1sjr s VAL 128 Cb -0.36 -1.79 0.49 0.00 0.00 0.00 0.00 36.38 34.72 1sjr s VAL 128 CO 0.35 -0.56 1.18 0.29 0.00 0.00 0.00 175.10 176.36 1sjr n LYS 129 N 4.75 1.66 -3.51 2.72 4.76 -1.26 -5.02 118.16 122.26 1sjr n LYS 129 Ca -0.03 -3.13 -0.16 0.00 -2.87 0.00 0.00 58.31 52.12 1sjr n LYS 129 Cb 0.43 -1.27 -0.05 0.00 -1.84 0.00 0.00 35.03 32.29 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 -3.16 -0.60 -0.09 2.13 1.51 -1.26 -4.75 117.35 111.14 1sjr s TYR 130 Ca 0.24 0.93 0.01 0.00 -1.01 0.00 0.00 57.07 57.24 1sjr s TYR 130 Cb 0.34 0.44 0.02 0.00 -0.11 0.00 0.00 41.96 42.65 1sjr s TYR 130 CO -0.05 -0.62 -0.09 -0.80 -1.11 0.00 0.00 175.55 172.89 1sjr s ASN 131 N -1.45 1.86 0.00 2.29 0.01 0.63 -4.19 114.94 114.09 1sjr s ASN 131 Ca -0.08 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1sjr s ASN 131 Cb -0.00 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1sjr s ASN 131 CO 0.05 -0.06 0.00 -0.46 -1.51 0.00 0.00 177.10 175.12 1sjr n ASN 132 N 4.44 0.00 0.00 -1.22 0.23 -1.24 -3.72 115.26 113.75 1sjr n ASN 132 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 1sjr n ASN 132 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1sjr n ASN 132 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1sjr n ASP 133 N 0.00 0.22 0.07 0.53 2.03 -1.26 -4.86 116.55 113.29 1sjr n ASP 133 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1sjr n ASP 133 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1sjr n ASP 133 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sjr h LYS 134 N 0.00 0.29 -6.11 -0.67 1.57 -1.97 -3.46 116.57 106.23 1sjr h LYS 134 Ca 0.00 -0.23 -0.60 0.00 -1.87 0.00 0.00 60.65 57.96 1sjr h LYS 134 Cb 0.06 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.29 1sjr h LYS 134 CO 0.00 0.87 -0.69 -1.12 -0.57 0.00 0.00 179.45 177.94 1sjr s SER 135 N -6.93 3.94 -0.29 0.86 0.01 -1.26 -0.19 113.70 109.84 1sjr s SER 135 Ca -0.04 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.25 1sjr s SER 135 Cb 0.11 -0.47 0.19 0.00 0.21 0.00 0.00 66.02 66.06 1sjr s SER 135 CO 0.82 -0.09 0.56 -0.60 0.41 0.00 0.00 173.24 174.34 1sjr s ARG 136 N -3.61 0.53 -0.13 12.44 6.06 0.12 -3.62 118.95 130.74 1sjr s ARG 136 Ca 0.32 0.69 -0.08 0.00 -2.50 0.00 0.00 55.73 54.16 1sjr s ARG 136 Cb -0.03 0.26 -0.04 0.00 0.06 0.00 0.00 34.95 35.20 1sjr s ARG 136 CO 0.17 -0.85 0.15 0.16 -2.50 0.00 0.00 175.30 172.44 1sjr s ASP 137 N 2.79 6.37 -0.85 -2.12 1.47 -1.26 -0.54 116.67 122.53 1sjr s ASP 137 Ca 0.15 0.44 0.01 0.00 1.18 0.00 0.00 52.55 54.33 1sjr s ASP 137 Cb -0.13 -2.08 0.27 0.00 -0.34 0.00 0.00 42.92 40.64 1sjr s ASP 137 CO -0.24 0.36 1.06 -1.22 0.68 0.00 0.00 175.17 175.81 1sjr n TYR 138 N 2.30 3.12 0.00 2.11 4.01 -0.28 -4.49 117.16 123.93 1sjr n TYR 138 Ca -0.19 -3.49 0.00 0.00 -0.16 0.00 0.00 57.90 54.06 1sjr n TYR 138 Cb 0.54 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 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 1.17 0.00 -3.66 -0.72 5.66 -1.26 -4.79 114.28 110.68 1sjr n THR 139 Ca 0.28 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.98 1sjr n THR 139 Cb 0.37 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.02 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 -0.62 1.05 0.19 1.09 0.52 -1.26 -4.96 118.95 114.96 1sjr s ARG 140 Ca 0.00 -1.73 0.26 0.00 -0.52 0.00 0.00 55.73 53.74 1sjr s ARG 140 Cb 0.00 -2.07 0.87 0.00 0.52 0.00 0.00 34.95 34.27 1sjr s ARG 140 CO 0.00 -1.15 1.78 -0.35 0.02 0.00 0.00 175.30 175.61 1sjr n PRO 141 N 3.84 0.22 -0.07 3.54 -0.04 -1.26 -3.21 135.00 138.03 1sjr n PRO 141 Ca 0.08 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1sjr n PRO 141 Cb 0.36 -1.77 0.06 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.17 0.76 -4.80 3.54 8.00 -1.26 -4.89 116.55 115.73 1sjr n ASP 142 Ca 0.05 -2.01 -0.31 0.00 0.71 0.00 0.00 54.79 53.23 1sjr n ASP 142 Cb 0.40 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1sjr n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sjr s LEU 143 N -0.97 3.12 0.85 0.64 2.01 -1.20 -5.03 118.68 118.10 1sjr s LEU 143 Ca 0.09 1.71 -0.11 0.00 0.01 0.00 0.00 54.13 55.82 1sjr s LEU 143 Cb 0.05 -4.51 0.10 0.00 0.01 0.00 0.00 46.19 41.84 1sjr s LEU 143 CO 0.06 -1.64 1.09 -2.16 1.01 0.00 0.00 176.35 174.70 1sjr s PRO 144 N -4.93 1.64 -0.26 1.29 0.04 -1.26 -4.61 135.00 126.91 1sjr s PRO 144 Ca 0.60 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.63 1sjr s PRO 144 Cb -0.15 -1.85 0.44 0.00 0.04 0.00 0.00 34.50 32.98 1sjr s PRO 144 CO 0.54 -2.00 1.22 -1.13 0.04 0.00 0.00 177.00 175.67 1sjr n SER 145 N -3.73 3.43 0.00 6.66 3.41 -1.24 -0.27 113.62 121.88 1sjr n SER 145 Ca 0.08 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1sjr n SER 145 Cb 0.55 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.91 0.88 0.00 5.00 0.00 -1.26 -4.87 105.19 104.03 1sjr n GLY 146 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1sjr n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66