#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jps s SER 2 N 0.00 3.10 -0.53 6.12 0.01 -1.26 -5.03 113.70 116.11 2jps s SER 2 Ca 0.00 -2.54 0.05 0.00 1.31 0.00 0.00 55.95 54.77 2jps s SER 2 Cb 0.00 -0.70 0.20 0.00 0.21 0.00 0.00 66.02 65.73 2jps s SER 2 CO 0.00 -0.27 0.49 0.00 0.41 0.00 0.00 173.24 173.87 2jps n GLN 3 N 3.60 1.14 -0.07 12.44 1.13 -1.26 -4.92 117.38 129.45 2jps n GLN 3 Ca 0.13 -3.80 -0.19 0.00 -1.94 0.00 0.00 57.00 51.20 2jps n GLN 3 Cb 0.37 -1.85 -0.13 0.00 0.11 0.00 0.00 30.24 28.75 2jps n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jps n GLU 4 N 1.98 0.70 -0.27 -1.09 1.02 -1.26 -3.45 120.64 118.27 2jps n GLU 4 Ca 0.25 0.20 0.08 0.00 -0.02 0.00 0.00 57.16 57.68 2jps n GLU 4 Cb 0.44 -1.61 0.32 0.00 -0.02 0.00 0.00 31.44 30.58 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2jps h GLN 5 N 0.03 0.79 -0.18 3.49 3.07 -2.00 0.23 115.11 120.56 2jps h GLN 5 Ca -0.51 -0.05 -0.19 0.00 0.09 0.00 0.00 58.65 57.99 2jps h GLN 5 Cb 1.96 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 29.35 2jps h GLN 5 CO -0.01 0.53 -0.63 1.88 0.09 0.00 0.00 178.83 180.69 2jps h TYR 6 N 0.82 0.97 -0.90 0.06 -1.99 -1.97 -2.72 116.97 111.24 2jps h TYR 6 Ca 0.41 -0.40 0.02 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.48 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 2jps h TYR 6 CO -0.00 1.22 0.59 1.15 -0.00 0.00 0.00 178.16 181.11 2jps h THR 7 N 0.45 1.21 -0.54 -2.88 2.02 -1.11 0.92 112.91 112.98 2jps h THR 7 Ca -0.03 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 2jps h THR 7 Cb 1.25 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2jps h THR 7 CO 0.13 0.22 0.03 -0.33 0.37 0.00 0.00 175.52 175.94 2jps h GLU 8 N 1.19 0.93 -0.06 6.66 5.08 -0.59 0.72 114.58 128.52 2jps h GLU 8 Ca 0.34 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 2jps h GLU 8 Cb -0.10 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.07 2jps h GLU 8 CO -0.08 0.93 -0.89 -0.91 -1.00 0.00 0.00 179.01 177.06 2jps h ASN 9 N 0.81 0.88 -0.24 1.42 4.21 -1.12 -2.99 115.58 118.55 2jps h ASN 9 Ca 0.16 -0.70 -0.10 0.00 1.21 0.00 0.00 56.30 56.86 2jps h ASN 9 Cb 0.49 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 2jps h ASN 9 CO 0.02 1.45 -0.20 0.25 -1.29 0.00 0.00 177.43 177.66 2jps h LEU 10 N 0.39 0.70 -1.24 1.61 6.46 0.98 -2.66 115.31 121.55 2jps h LEU 10 Ca -0.09 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2jps h LEU 10 Cb 1.54 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 2jps h LEU 10 CO 0.18 0.90 0.43 0.50 -0.62 0.00 0.00 178.44 179.82 2jps h LYS 11 N 0.62 0.94 -0.17 1.25 3.11 0.47 0.93 116.57 123.72 2jps h LYS 11 Ca 0.09 -0.08 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2jps h LYS 11 Cb 0.68 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2jps h LYS 11 CO 0.05 0.66 -0.11 0.28 -2.81 0.00 0.00 179.45 177.51 2jps h VAL 12 N 0.96 1.32 -0.50 2.00 2.07 -1.34 -1.83 116.25 118.94 2jps h VAL 12 Ca 0.25 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2jps h VAL 12 Cb -0.05 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2jps h VAL 12 CO -0.05 0.36 0.09 0.40 0.02 0.00 0.00 177.57 178.39 2jps h ILE 13 N 0.04 1.22 -0.46 4.57 2.04 -1.14 -2.32 117.51 121.46 2jps h ILE 13 Ca 0.03 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 2jps h ILE 13 Cb 0.61 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2jps h ILE 13 CO 0.03 0.31 0.06 0.58 0.00 0.00 0.00 178.15 179.13 2jps h VAL 14 N 0.74 1.25 -0.52 1.67 2.07 -0.73 -2.63 116.25 118.10 2jps h VAL 14 Ca 0.16 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2jps h VAL 14 Cb 0.33 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2jps h VAL 14 CO 0.00 0.33 0.33 0.00 0.02 0.00 0.00 177.57 178.25 2jps h ALA 15 N 0.95 1.59 -0.86 1.67 0.00 -0.98 -1.95 119.26 119.68 2jps h ALA 15 Ca 0.14 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2jps h ALA 15 Cb 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2jps h ALA 15 CO 0.01 0.37 0.56 1.49 0.00 0.00 0.00 179.25 181.67 2jps h GLU 16 N 0.72 0.78 0.03 0.00 4.81 -1.04 0.81 114.58 120.69 2jps h GLU 16 Ca 0.19 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2jps h GLU 16 Cb -0.05 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.16 2jps h GLU 16 CO -0.04 0.51 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.32 2jps h LYS 17 N 0.80 0.07 0.15 1.92 1.63 -1.38 -1.80 116.57 117.98 2jps h LYS 17 Ca 0.41 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 2jps h LYS 17 Cb 0.48 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2jps h LYS 17 CO -0.17 1.06 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.74 2jps h LEU 18 N -0.85 -0.18 -1.70 5.20 3.38 -1.13 -0.02 115.31 120.02 2jps h LEU 18 Ca -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2jps h LEU 18 Cb 1.16 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2jps h LEU 18 CO 0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.47 2jps h ALA 19 N 0.48 1.75 -0.10 1.53 0.00 0.48 -2.56 119.26 120.85 2jps h ALA 19 Ca -0.02 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2jps h ALA 19 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jps h ALA 19 CO 0.03 0.19 -0.78 0.78 0.00 0.00 0.00 179.25 179.47 2jps h GLY 20 N 0.43 0.61 -4.96 0.00 0.00 -0.88 -3.45 103.07 94.82 2jps h GLY 20 Ca 0.02 -0.89 -0.59 0.00 0.00 0.00 0.00 47.33 45.86 2jps h GLY 20 CO 0.01 0.79 0.71 1.39 0.00 0.00 0.00 176.54 179.45 2jps n ILE 21 N -3.86 0.21 0.29 2.60 5.41 -0.06 -4.86 119.36 119.09 2jps n ILE 21 Ca -0.06 -0.05 0.18 0.00 1.00 0.00 0.00 62.75 63.82 2jps n ILE 21 Cb 0.74 -1.43 0.79 0.00 -0.71 0.00 0.00 39.64 39.02 2jps n ILE 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2jps h PRO 22 N 5.36 0.00 -0.87 0.38 0.13 -1.87 -2.96 132.00 132.17 2jps h PRO 22 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 2jps h PRO 22 Cb 1.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.13 2jps h PRO 22 CO 0.84 0.01 0.51 0.09 -0.23 0.00 0.00 178.00 179.22 2jps n ASN 23 N -3.10 4.32 -3.69 1.44 3.02 -1.26 -4.78 115.26 111.21 2jps n ASN 23 Ca -0.00 -3.69 -0.29 0.00 -0.03 0.00 0.00 54.58 50.57 2jps n ASN 23 Cb 0.26 -0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 38.49 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2jps s PHE 24 N -3.41 1.99 -0.21 3.10 2.19 -1.12 -4.95 117.98 115.58 2jps s PHE 24 Ca 0.56 -2.47 -0.07 0.00 0.33 0.00 0.00 56.93 55.28 2jps s PHE 24 Cb 0.47 -1.83 -0.10 0.00 -1.31 0.00 0.00 43.02 40.25 2jps s PHE 24 CO 0.06 -0.77 -0.24 0.09 1.83 0.00 0.00 175.22 176.19 2jps n ASN 25 N 3.34 1.75 -4.94 6.13 3.02 -1.26 -4.75 115.26 118.55 2jps n ASN 25 Ca 0.12 0.16 -0.20 0.00 -0.03 0.00 0.00 54.58 54.63 2jps n ASN 25 Cb 0.36 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2jps s GLU 26 N -2.39 2.97 -1.52 3.52 2.12 -1.26 -4.51 118.70 117.63 2jps s GLU 26 Ca -0.29 -1.12 -0.13 0.00 0.36 0.00 0.00 54.97 53.79 2jps s GLU 26 Cb 0.10 -2.69 0.09 0.00 0.26 0.00 0.00 34.13 31.89 2jps s GLU 26 CO 0.39 0.08 0.89 -0.25 -0.54 0.00 0.00 175.26 175.83 2jps n ASP 27 N -1.53 -4.66 -0.11 -1.70 9.92 -1.26 -4.88 116.55 112.33 2jps n ASP 27 Ca -0.01 -0.73 -0.12 0.00 -0.53 0.00 0.00 54.79 53.40 2jps n ASP 27 Cb 0.59 -3.74 -0.14 0.00 -0.64 0.00 0.00 41.12 37.18 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jps n ILE 28 N -4.57 1.40 0.08 0.53 0.00 -1.26 -3.45 119.36 112.10 2jps n ILE 28 Ca 0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 62.75 61.84 2jps n ILE 28 Cb 0.53 -0.78 -0.15 0.00 0.00 0.00 0.00 39.64 39.24 2jps n ILE 28 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2jps h LYS 29 N 0.00 0.33 0.00 9.51 1.57 -1.93 -3.13 116.57 122.92 2jps h LYS 29 Ca -0.55 -0.56 -0.14 0.00 -1.87 0.00 0.00 60.65 57.53 2jps h LYS 29 Cb 2.11 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.61 2jps h LYS 29 CO -0.01 1.22 -0.67 1.88 -0.57 0.00 0.00 179.45 181.30 2jps h TYR 30 N 0.09 0.00 -0.26 -1.35 0.05 -1.97 -3.15 116.97 110.37 2jps h TYR 30 Ca -0.25 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.38 2jps h TYR 30 Cb 2.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.78 2jps h TYR 30 CO 0.08 0.67 -0.45 -0.24 -1.05 0.00 0.00 178.16 177.17 2jps h VAL 31 N 0.00 1.30 -0.77 -2.88 3.04 -1.64 -3.03 116.25 112.27 2jps h VAL 31 Ca -0.01 -1.65 -0.02 0.00 -1.01 0.00 0.00 66.70 64.01 2jps h VAL 31 Cb 1.19 1.59 -0.04 0.00 -2.01 0.00 0.00 31.29 32.02 2jps h VAL 31 CO 0.09 0.53 0.40 0.00 -1.01 0.00 0.00 177.57 177.57 2jps h ALA 32 N 0.96 1.25 -0.20 3.17 0.00 -1.51 -1.45 119.26 121.49 2jps h ALA 32 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jps h ALA 32 Cb 0.99 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jps h ALA 32 CO 0.09 0.59 0.13 0.93 0.00 0.00 0.00 179.25 180.99 2jps h GLU 33 N 1.08 0.26 -0.83 0.00 5.08 -1.51 -0.15 114.58 118.52 2jps h GLU 33 Ca 0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2jps h GLU 33 Cb 0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2jps h GLU 33 CO -0.04 0.18 0.45 -0.92 -1.00 0.00 0.00 179.01 177.68 2jps h TYR 34 N 0.26 1.13 -0.16 4.33 3.20 -1.41 0.88 116.97 125.21 2jps h TYR 34 Ca 0.07 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jps h TYR 34 Cb -0.03 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.87 2jps h TYR 34 CO -0.06 0.79 0.10 0.82 -1.64 0.00 0.00 178.16 178.16 2jps h ILE 35 N 1.16 1.06 -0.82 1.81 2.04 -0.61 0.38 117.51 122.52 2jps h ILE 35 Ca 0.29 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2jps h ILE 35 Cb 0.03 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2jps h ILE 35 CO -0.05 0.05 0.36 0.58 0.00 0.00 0.00 178.15 179.10 2jps h VAL 36 N 0.20 1.26 -0.64 1.67 2.07 -0.58 -0.41 116.25 119.82 2jps h VAL 36 Ca 0.06 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.84 2jps h VAL 36 Cb -0.00 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2jps h VAL 36 CO -0.01 0.32 0.39 0.25 0.02 0.00 0.00 177.57 178.54 2jps h LEU 37 N 1.17 0.62 -0.59 2.57 5.85 -0.23 0.35 115.31 125.05 2jps h LEU 37 Ca 0.28 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2jps h LEU 37 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jps h LEU 37 CO -0.03 0.43 0.20 -0.07 -0.34 0.00 0.00 178.44 178.63 2jps h LEU 38 N 0.75 0.85 -0.35 2.25 3.38 -0.39 -1.15 115.31 120.66 2jps h LEU 38 Ca 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jps h LEU 38 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jps h LEU 38 CO -0.12 0.82 0.20 0.40 0.09 0.00 0.00 178.44 179.84 2jps h ILE 39 N 0.83 1.13 -0.68 1.22 1.08 -0.01 -2.31 117.51 118.77 2jps h ILE 39 Ca 0.19 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2jps h ILE 39 Cb 0.26 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2jps h ILE 39 CO -0.01 0.13 0.38 0.58 -0.69 0.00 0.00 178.15 178.53 2jps h VAL 40 N 0.45 1.20 -0.78 1.67 2.07 -0.08 -2.20 116.25 118.58 2jps h VAL 40 Ca 0.12 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2jps h VAL 40 Cb 0.03 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 2jps h VAL 40 CO -0.02 0.23 0.51 0.78 0.02 0.00 0.00 177.57 179.08 2jps h ASN 41 N 0.95 0.70 0.00 0.57 2.35 -0.64 -3.44 115.58 116.07 2jps h ASN 41 Ca 0.24 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2jps h ASN 41 Cb 0.02 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2jps h ASN 41 CO -0.04 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 2jps n GLY 42 N -1.44 -0.60 0.00 2.83 0.00 -0.85 -5.06 105.19 100.07 2jps n GLY 42 Ca 0.12 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jps n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jps n GLY 43 N -1.18 0.66 3.17 -0.02 0.00 -1.11 -4.98 105.19 101.73 2jps n GLY 43 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2jps n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jps s THR 44 N -0.90 3.25 0.37 2.61 -4.23 -1.26 -4.98 115.64 110.50 2jps s THR 44 Ca 0.00 -1.65 0.15 0.00 -1.18 0.00 0.00 61.69 59.01 2jps s THR 44 Cb 0.00 -3.03 0.36 0.00 1.34 0.00 0.00 72.50 71.17 2jps s THR 44 CO 0.00 -0.38 1.77 0.58 -0.54 0.00 0.00 174.62 176.05 2jps h VAL 45 N 6.37 0.57 0.13 2.29 2.07 -1.96 0.94 116.25 126.66 2jps h VAL 45 Ca -0.18 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2jps h VAL 45 Cb 1.06 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jps h VAL 45 CO 0.62 0.09 -0.06 -0.08 0.02 0.00 0.00 177.57 178.15 2jps h GLU 46 N 0.49 -0.17 -0.20 1.57 4.22 -1.98 0.82 114.58 119.33 2jps h GLU 46 Ca 0.59 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.90 2jps h GLU 46 Cb 1.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2jps h GLU 46 CO -0.33 0.09 -0.49 1.03 -2.18 0.00 0.00 179.01 177.12 2jps h SER 47 N -0.43 0.59 0.12 1.04 0.87 -1.67 -0.18 113.55 113.90 2jps h SER 47 Ca -0.02 -0.30 -0.16 0.00 -1.23 0.00 0.00 61.79 60.09 2jps h SER 47 Cb 0.34 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2jps h SER 47 CO 0.03 0.99 -0.56 0.58 -0.53 0.00 0.00 176.83 177.33 2jps h VAL 48 N 0.43 1.34 0.02 2.23 2.07 0.95 -0.42 116.25 122.86 2jps h VAL 48 Ca 0.02 -1.84 -0.26 0.00 0.82 0.00 0.00 66.70 65.44 2jps h VAL 48 Cb 1.01 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2jps h VAL 48 CO 0.09 0.56 -1.04 0.58 0.02 0.00 0.00 177.57 177.79 2jps h VAL 49 N 0.35 1.34 -0.27 2.57 2.07 0.76 -2.16 116.25 120.92 2jps h VAL 49 Ca 0.00 -2.38 -0.12 0.00 0.82 0.00 0.00 66.70 65.02 2jps h VAL 49 Cb 1.09 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 2jps h VAL 49 CO 0.10 0.72 -0.33 -0.78 0.02 0.00 0.00 177.57 177.31 2jps h ASP 50 N 0.30 0.60 -0.25 0.57 1.82 -0.98 0.17 116.42 118.65 2jps h ASP 50 Ca -0.12 -0.24 -0.16 0.00 -0.39 0.00 0.00 57.03 56.12 2jps h ASP 50 Cb 1.69 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.53 2jps h ASP 50 CO 0.19 0.89 -0.47 -0.33 -1.61 0.00 0.00 179.24 177.92 2jps h GLU 51 N 0.50 0.75 -0.30 0.28 5.08 -1.09 -1.01 114.58 118.79 2jps h GLU 51 Ca 0.06 -0.48 -0.17 0.00 -1.00 0.00 0.00 59.36 57.77 2jps h GLU 51 Cb 0.81 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jps h GLU 51 CO 0.07 1.10 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.63 2jps h LEU 52 N 0.49 0.90 -0.80 1.33 3.38 -1.30 -3.03 115.31 116.29 2jps h LEU 52 Ca 0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2jps h LEU 52 Cb 1.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2jps h LEU 52 CO 0.10 1.23 0.11 0.00 0.09 0.00 0.00 178.44 179.97 2jps h ALA 53 N 0.80 1.01 -0.59 1.53 0.00 -0.63 0.97 119.26 122.36 2jps h ALA 53 Ca 0.03 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 53 Cb 1.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jps h ALA 53 CO 0.11 0.63 0.39 1.03 0.00 0.00 0.00 179.25 181.41 2jps h SER 54 N 0.95 0.51 0.03 0.00 0.87 -1.06 -2.72 113.55 112.14 2jps h SER 54 Ca 0.19 -0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.37 2jps h SER 54 Cb 0.40 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 2jps h SER 54 CO 0.01 0.34 -2.30 0.18 -0.53 0.00 0.00 176.83 174.52 2jps n LEU 55 N -4.47 2.72 -4.03 2.23 4.77 -0.98 -4.63 117.00 112.61 2jps n LEU 55 Ca 0.08 0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 2jps n LEU 55 Cb 0.22 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 2jps n LEU 55 CO 0.34 0.84 0.69 0.49 -1.33 0.00 0.00 177.39 178.43 2jps n PHE 56 N -3.49 3.71 -1.19 -1.77 3.72 0.33 -4.84 117.46 113.94 2jps n PHE 56 Ca -0.43 -3.54 -0.18 0.00 -0.05 0.00 0.00 57.45 53.25 2jps n PHE 56 Cb 0.98 -1.23 0.22 0.00 -0.94 0.00 0.00 39.48 38.51 2jps n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jps n ASP 57 N 1.83 4.03 -0.09 4.37 5.75 -1.03 -4.42 116.55 126.99 2jps n ASP 57 Ca 0.25 -3.50 -0.17 0.00 -0.01 0.00 0.00 54.79 51.36 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -1.03 0.00 0.00 41.12 39.52 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jps n SER 58 N -0.85 1.58 -4.91 -1.12 3.41 -1.26 -4.96 113.62 105.50 2jps n SER 58 Ca 0.53 -0.01 -0.27 0.00 -0.26 0.00 0.00 58.87 58.86 2jps n SER 58 Cb 1.57 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 65.27 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jps s VAL 59 N -2.53 5.03 0.43 -3.33 0.11 -1.26 -5.03 120.40 113.81 2jps s VAL 59 Ca -0.26 -0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.50 2jps s VAL 59 Cb 0.08 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 2jps s VAL 59 CO 0.69 -0.43 1.02 -1.20 -3.33 0.00 0.00 175.10 171.85 2jps n SER 60 N -1.25 1.29 -0.21 3.54 7.64 -1.26 -4.84 113.62 118.51 2jps n SER 60 Ca -0.02 1.03 0.17 0.00 1.01 0.00 0.00 58.87 61.06 2jps n SER 60 Cb 0.55 -1.36 0.50 0.00 -1.01 0.00 0.00 64.21 62.88 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jps h ARG 61 N 1.52 0.43 -0.82 1.43 2.47 -1.96 -0.61 114.38 116.84 2jps h ARG 61 Ca -0.45 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.34 2jps h ARG 61 Cb 1.34 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 29.50 2jps h ARG 61 CO 0.57 0.28 0.53 0.22 0.56 0.00 0.00 179.97 182.13 2jps h ASP 62 N 0.44 0.69 -0.45 7.04 1.82 -1.99 0.71 116.42 124.68 2jps h ASP 62 Ca 0.43 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 57.02 2jps h ASP 62 Cb 1.00 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.87 2jps h ASP 62 CO -0.16 0.41 0.04 0.74 -1.61 0.00 0.00 179.24 178.67 2jps h THR 63 N 0.77 1.25 -0.28 2.25 2.02 -1.44 0.98 112.91 118.46 2jps h THR 63 Ca 0.38 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 2jps h THR 63 Cb 0.43 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2jps h THR 63 CO -0.15 0.34 -0.08 -0.07 0.37 0.00 0.00 175.52 175.93 2jps h LEU 64 N 0.62 0.55 -1.17 2.58 4.07 -1.32 -2.81 115.31 117.84 2jps h LEU 64 Ca 0.13 -0.37 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 2jps h LEU 64 Cb 0.44 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2jps h LEU 64 CO 0.02 0.80 0.32 0.00 -1.08 0.00 0.00 178.44 178.50 2jps h ALA 65 N 0.77 1.36 -0.97 1.53 0.00 -0.78 -1.73 119.26 119.45 2jps h ALA 65 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 65 Cb 0.56 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jps h ALA 65 CO 0.03 0.51 0.64 -0.91 0.00 0.00 0.00 179.25 179.52 2jps h ASN 66 N 0.90 1.11 -0.16 0.00 4.21 -0.58 0.12 115.58 121.18 2jps h ASN 66 Ca 0.23 -0.03 -0.20 0.00 1.21 0.00 0.00 56.30 57.51 2jps h ASN 66 Cb 0.07 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 2jps h ASN 66 CO -0.03 0.80 -0.65 0.58 -1.29 0.00 0.00 177.43 176.83 2jps h VAL 67 N 1.31 1.29 -0.18 2.81 2.07 -1.18 -2.84 116.25 119.53 2jps h VAL 67 Ca 0.36 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 2jps h VAL 67 Cb -0.14 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2jps h VAL 67 CO -0.08 0.59 -0.13 0.58 0.02 0.00 0.00 177.57 178.55 2jps h VAL 68 N 0.57 1.19 0.06 2.57 2.07 -0.82 -2.64 116.25 119.25 2jps h VAL 68 Ca -0.02 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2jps h VAL 68 Cb 1.26 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2jps h VAL 68 CO 0.14 0.26 -0.03 1.56 0.02 0.00 0.00 177.57 179.52 2jps h GLN 69 N 0.27 -0.08 -0.07 1.57 1.08 -0.60 -1.91 115.11 115.38 2jps h GLN 69 Ca 0.05 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2jps h GLN 69 Cb 0.40 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2jps h GLN 69 CO 0.02 0.15 0.05 0.00 -0.95 0.00 0.00 178.83 178.10 2jps h THR 70 N -0.30 0.94 -0.21 -0.54 1.03 -1.34 -0.69 112.91 111.79 2jps h THR 70 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.22 2jps h THR 70 Cb 0.27 0.97 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2jps h THR 70 CO 0.01 0.00 -0.56 0.00 -0.01 0.00 0.00 175.52 174.96 2jps h ALA 71 N 1.96 0.61 0.01 0.00 0.00 -1.13 0.33 119.26 121.05 2jps h ALA 71 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 71 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jps h ALA 71 CO -0.00 0.69 -0.01 0.74 0.00 0.00 0.00 179.25 180.67 2jps h PHE 72 N 0.50 -0.02 -0.82 0.00 -1.00 -0.41 -1.24 116.94 113.96 2jps h PHE 72 Ca 0.01 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2jps h PHE 72 Cb 1.13 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.66 2jps h PHE 72 CO 0.05 0.38 0.36 0.35 -1.61 0.00 0.00 178.31 177.85 2jps h PHE 73 N -0.42 1.21 -0.90 -0.55 3.57 -1.19 -2.40 116.94 116.26 2jps h PHE 73 Ca -0.00 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2jps h PHE 73 Cb 0.41 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2jps h PHE 73 CO 0.06 0.89 0.60 0.00 -2.23 0.00 0.00 178.31 177.63 2jps h ALA 74 N 1.19 1.37 -0.98 2.41 0.00 -0.23 -1.97 119.26 121.06 2jps h ALA 74 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2jps h ALA 74 Cb 0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2jps h ALA 74 CO -0.03 0.57 0.64 -0.07 0.00 0.00 0.00 179.25 180.36 2jps h LEU 75 N 1.20 1.05 -0.48 0.00 3.38 -0.70 0.39 115.31 120.16 2jps h LEU 75 Ca 0.34 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 2jps h LEU 75 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2jps h LEU 75 CO -0.08 0.71 -0.13 -0.08 0.09 0.00 0.00 178.44 178.95 2jps h GLU 76 N 1.22 0.94 -0.68 1.13 4.81 -1.29 -2.60 114.58 118.10 2jps h GLU 76 Ca 0.39 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2jps h GLU 76 Cb 0.03 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2jps h GLU 76 CO -0.13 1.03 0.14 0.00 -0.73 0.00 0.00 179.01 179.32 2jps h ALA 77 N 0.88 0.91 -0.89 2.92 0.00 -0.81 -2.71 119.26 119.56 2jps h ALA 77 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jps h ALA 77 Cb 0.69 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2jps h ALA 77 CO 0.05 0.65 0.57 -0.07 0.00 0.00 0.00 179.25 180.45 2jps h LEU 78 N 1.04 1.03 -1.73 0.00 3.38 -0.79 -1.29 115.31 116.95 2jps h LEU 78 Ca 0.21 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2jps h LEU 78 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2jps h LEU 78 CO 0.01 0.76 0.33 1.56 0.09 0.00 0.00 178.44 181.19 2jps h GLN 79 N 1.21 0.31 0.00 1.13 7.50 -1.13 -3.11 115.11 121.01 2jps h GLN 79 Ca 0.32 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.39 2jps h GLN 79 Cb -0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.34 2jps h GLN 79 CO -0.07 0.21 -0.48 0.37 -1.50 0.00 0.00 178.83 177.35 2jps h GLN 80 N 0.32 0.00 0.00 1.46 4.15 -1.32 -3.50 115.11 116.22 2jps h GLN 80 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2jps h GLN 80 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2jps h GLN 80 CO -0.05 0.50 0.00 0.41 -1.93 0.00 0.00 178.83 177.76 2jps n GLY 81 N 1.60 -0.19 3.77 2.39 0.00 -0.57 -5.15 105.19 107.04 2jps n GLY 81 Ca -0.13 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jps n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jps s GLU 82 N 0.00 2.19 -0.10 1.61 2.12 -1.23 -5.01 118.70 118.27 2jps s GLU 82 Ca 0.00 -2.10 0.02 0.00 0.36 0.00 0.00 54.97 53.24 2jps s GLU 82 Cb 0.00 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.56 2jps s GLU 82 CO 0.00 -0.30 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.15 2jps s SER 83 N -3.96 3.88 -0.17 -1.70 0.01 -1.26 -4.96 113.70 105.54 2jps s SER 83 Ca 0.27 -0.33 0.15 0.00 1.31 0.00 0.00 55.95 57.35 2jps s SER 83 Cb 0.03 -1.36 -0.24 0.00 0.21 0.00 0.00 66.02 64.66 2jps s SER 83 CO 0.15 0.21 0.16 0.00 0.41 0.00 0.00 173.24 174.17 2jps n ALA 84 N 3.19 1.48 -0.28 1.44 0.00 -1.26 -4.37 120.51 120.69 2jps n ALA 84 Ca -0.18 -1.19 0.06 0.00 0.00 0.00 0.00 53.44 52.13 2jps n ALA 84 Cb 0.53 -0.31 0.28 0.00 0.00 0.00 0.00 19.45 19.94 2jps n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jps h GLU 85 N 0.00 0.91 -0.86 0.00 5.08 -1.95 -1.50 114.58 116.26 2jps h GLU 85 Ca -0.50 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 57.88 2jps h GLU 85 Cb 2.17 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 31.15 2jps h GLU 85 CO 0.03 0.60 0.56 -0.91 -1.00 0.00 0.00 179.01 178.29 2jps h ASN 86 N 0.93 0.82 -0.52 1.42 2.35 -2.02 -1.10 115.58 117.47 2jps h ASN 86 Ca 0.40 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 2jps h ASN 86 Cb 0.31 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2jps h ASN 86 CO -0.16 0.51 0.20 0.40 -1.65 0.00 0.00 177.43 176.73 2jps h ILE 87 N 0.92 1.21 -0.82 2.81 2.04 -1.50 -2.49 117.51 119.67 2jps h ILE 87 Ca 0.38 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2jps h ILE 87 Cb 0.29 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2jps h ILE 87 CO -0.15 0.27 0.54 0.58 0.00 0.00 0.00 178.15 179.40 2jps h VAL 88 N 0.82 1.16 -0.83 1.67 2.07 -1.17 -1.87 116.25 118.11 2jps h VAL 88 Ca 0.19 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.43 2jps h VAL 88 Cb 0.20 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 2jps h VAL 88 CO -0.01 0.19 0.49 -1.28 0.02 0.00 0.00 177.57 176.98 2jps h SER 89 N 1.05 0.74 0.09 0.57 0.87 -1.36 0.40 113.55 115.91 2jps h SER 89 Ca 0.32 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 2jps h SER 89 Cb -0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2jps h SER 89 CO -0.09 0.45 -0.47 0.50 -0.53 0.00 0.00 176.83 176.69 2jps h LYS 90 N 0.86 0.45 -0.27 2.24 3.64 -1.40 -2.78 116.57 119.31 2jps h LYS 90 Ca 0.38 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 2jps h LYS 90 Cb 0.27 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jps h LYS 90 CO -0.21 0.83 -0.51 0.82 -2.27 0.00 0.00 179.45 178.11 2jps h ILE 91 N 0.36 1.29 -0.76 2.00 1.08 -0.43 -1.45 117.51 119.60 2jps h ILE 91 Ca 0.02 -1.71 -0.02 0.00 -0.39 0.00 0.00 64.86 62.76 2jps h ILE 91 Cb 0.96 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2jps h ILE 91 CO 0.08 0.55 0.40 0.03 -0.69 0.00 0.00 178.15 178.52 2jps h ARG 92 N 0.60 1.06 -0.08 2.37 3.08 -0.16 0.85 114.38 122.10 2jps h ARG 92 Ca 0.02 -0.13 -0.24 0.00 0.07 0.00 0.00 59.98 59.70 2jps h ARG 92 Cb 1.09 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.95 2jps h ARG 92 CO 0.11 0.79 -0.90 0.52 -1.07 0.00 0.00 179.97 179.42 2jps h MET 93 N 1.06 0.74 -0.13 0.04 2.86 -1.40 -1.71 114.93 116.39 2jps h MET 93 Ca 0.27 -0.69 -0.16 0.00 -2.06 0.00 0.00 59.70 57.05 2jps h MET 93 Cb 0.05 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2jps h MET 93 CO -0.04 1.28 -0.61 1.98 1.06 0.00 0.00 176.91 180.58 2jps h MET 94 N 0.47 0.45 -0.19 1.72 1.85 -0.90 -1.96 114.93 116.37 2jps h MET 94 Ca -0.09 -0.31 -0.16 0.00 -0.61 0.00 0.00 59.70 58.53 2jps h MET 94 Cb 1.54 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.61 2jps h MET 94 CO 0.18 0.93 -0.55 -0.91 -0.40 0.00 0.00 176.91 176.16 2jps h ASN 95 N 0.34 0.64 -0.31 1.39 2.35 0.72 -0.77 115.58 119.94 2jps h ASN 95 Ca -0.01 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.23 2jps h ASN 95 Cb 1.16 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2jps h ASN 95 CO 0.11 1.06 -0.47 0.00 -1.65 0.00 0.00 177.43 176.47 2jps h ALA 96 N 0.96 0.54 -0.39 -0.83 0.00 -1.25 -1.89 119.26 116.39 2jps h ALA 96 Ca 0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 2jps h ALA 96 Cb 1.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jps h ALA 96 CO 0.10 0.68 -0.33 0.37 0.00 0.00 0.00 179.25 180.07 2jps h GLN 97 N 0.70 0.92 -0.57 0.00 4.15 -1.31 0.57 115.11 119.57 2jps h GLN 97 Ca 0.04 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 58.95 2jps h GLN 97 Cb 1.07 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 2jps h GLN 97 CO 0.11 1.12 0.19 1.03 -1.93 0.00 0.00 178.83 179.35 2jps h SER 98 N 0.74 0.78 -0.54 -0.69 0.87 -1.08 -3.02 113.55 110.60 2jps h SER 98 Ca 0.07 -0.12 -0.38 0.00 -1.23 0.00 0.00 61.79 60.13 2jps h SER 98 Cb 0.92 -0.20 -0.26 0.00 -0.44 0.00 0.00 62.40 62.42 2jps h SER 98 CO 0.09 0.73 -0.44 -0.11 -0.53 0.00 0.00 176.83 176.56 2jps n LEU 99 N -4.30 4.60 -2.73 2.23 7.94 -0.72 -4.68 117.00 119.34 2jps n LEU 99 Ca 0.05 -4.35 -0.00 0.00 -1.11 0.00 0.00 56.01 50.60 2jps n LEU 99 Cb 0.19 -0.50 0.06 0.00 0.53 0.00 0.00 43.42 43.70 2jps n LEU 99 CO 0.39 1.74 0.08 0.61 -1.11 0.00 0.00 177.39 179.10 2jps n GLY 100 N -0.90 1.76 2.35 -3.96 0.00 0.20 -4.90 105.19 99.74 2jps n GLY 100 Ca 0.39 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2jps n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jps n GLN 101 N -0.66 3.11 0.01 1.61 6.02 -1.26 -4.69 117.38 121.52 2jps n GLN 101 Ca 0.03 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.23 2jps n GLN 101 Cb 0.83 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2jps n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jps n SER 102 N -0.73 -0.15 -4.61 1.08 2.88 -1.26 -5.10 113.62 105.74 2jps n SER 102 Ca 0.52 0.08 -0.43 0.00 -1.33 0.00 0.00 58.87 57.71 2jps n SER 102 Cb 0.69 0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 64.42 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jps s ASP 103 N -2.00 6.42 -0.28 -3.46 -1.08 -1.26 -4.98 116.67 110.02 2jps s ASP 103 Ca 0.00 1.01 0.02 0.00 -0.52 0.00 0.00 52.55 53.07 2jps s ASP 103 Cb 0.00 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.99 2jps s ASP 103 CO 0.00 -1.33 -0.06 -0.63 0.52 0.00 0.00 175.17 173.67 2jps s ILE 104 N 5.17 2.31 0.00 4.11 1.01 -1.26 -4.97 121.20 127.57 2jps s ILE 104 Ca 0.61 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2jps s ILE 104 Cb -0.16 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2jps s ILE 104 CO 0.30 -0.16 0.41 0.00 0.00 0.00 0.00 174.94 175.49