#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jps n SER 2 N 0.00 1.88 -1.86 6.12 7.64 -1.26 -5.07 113.62 121.08 2jps n SER 2 Ca 0.00 -0.93 -0.21 0.00 1.01 0.00 0.00 58.87 58.75 2jps n SER 2 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jps n GLN 3 N -0.05 3.38 -0.30 1.43 1.13 -1.26 -4.80 117.38 116.91 2jps n GLN 3 Ca 0.00 -4.07 -0.00 0.00 -1.94 0.00 0.00 57.00 50.99 2jps n GLN 3 Cb 0.00 -2.20 0.18 0.00 0.11 0.00 0.00 30.24 28.33 2jps n GLN 3 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2jps h GLU 4 N 2.04 1.14 -0.92 -1.09 5.08 -1.98 -0.58 114.58 118.28 2jps h GLU 4 Ca 0.33 -0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2jps h GLU 4 Cb 1.48 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2jps h GLU 4 CO 0.67 0.76 0.55 0.37 -1.00 0.00 0.00 179.01 180.36 2jps h GLN 5 N 1.18 0.88 -0.05 2.33 5.75 -1.99 0.86 115.11 124.07 2jps h GLN 5 Ca 0.33 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.58 2jps h GLN 5 Cb -0.10 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.25 2jps h GLN 5 CO -0.08 0.58 -0.81 1.88 -2.65 0.00 0.00 178.83 177.76 2jps h TYR 6 N 0.90 0.55 -0.46 3.99 -1.99 -1.73 -2.11 116.97 116.13 2jps h TYR 6 Ca 0.45 -0.27 -0.14 0.00 2.00 0.00 0.00 58.73 60.78 2jps h TYR 6 Cb 0.42 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 2jps h TYR 6 CO -0.03 1.05 -0.25 1.15 -0.00 0.00 0.00 178.16 180.08 2jps h THR 7 N 0.25 1.27 -0.38 -2.88 2.02 0.53 0.84 112.91 114.55 2jps h THR 7 Ca -0.05 -1.41 -0.14 0.00 0.77 0.00 0.00 66.41 65.59 2jps h THR 7 Cb 1.40 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2jps h THR 7 CO 0.14 0.48 -0.29 -0.08 0.37 0.00 0.00 175.52 176.14 2jps h GLU 8 N 0.83 0.88 -0.04 6.66 4.81 0.67 0.58 114.58 128.98 2jps h GLU 8 Ca 0.10 -0.43 -0.25 0.00 -0.13 0.00 0.00 59.36 58.65 2jps h GLU 8 Cb 0.83 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.22 2jps h GLU 8 CO 0.07 1.08 -0.96 -0.91 -0.73 0.00 0.00 179.01 177.56 2jps h ASN 9 N 0.68 0.85 -0.27 1.04 4.21 -1.30 -2.99 115.58 117.80 2jps h ASN 9 Ca 0.07 -0.65 -0.13 0.00 1.21 0.00 0.00 56.30 56.80 2jps h ASN 9 Cb 0.87 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2jps h ASN 9 CO 0.08 1.45 -0.31 0.25 -1.29 0.00 0.00 177.43 177.60 2jps h LEU 10 N 0.40 0.83 -1.61 1.61 5.85 0.77 -2.63 115.31 120.53 2jps h LEU 10 Ca -0.10 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jps h LEU 10 Cb 1.60 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2jps h LEU 10 CO 0.19 1.07 0.21 0.50 -0.34 0.00 0.00 178.44 180.07 2jps h LYS 11 N 0.67 0.47 -0.07 1.25 3.11 0.17 0.14 116.57 122.30 2jps h LYS 11 Ca 0.07 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 2jps h LYS 11 Cb 0.85 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2jps h LYS 11 CO 0.07 0.33 -0.24 0.28 -2.81 0.00 0.00 179.45 177.08 2jps h VAL 12 N 0.48 1.42 -0.52 2.00 2.07 -1.35 -2.24 116.25 118.11 2jps h VAL 12 Ca 0.13 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 2jps h VAL 12 Cb -0.02 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2jps h VAL 12 CO -0.02 0.46 0.12 0.40 0.02 0.00 0.00 177.57 178.54 2jps h ILE 13 N -0.20 1.22 -0.56 4.57 2.04 -1.10 -2.48 117.51 121.01 2jps h ILE 13 Ca -0.01 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2jps h ILE 13 Cb 0.87 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2jps h ILE 13 CO 0.05 0.30 0.15 0.58 0.00 0.00 0.00 178.15 179.23 2jps h VAL 14 N 0.76 1.24 -0.46 1.67 2.07 -0.71 -2.49 116.25 118.33 2jps h VAL 14 Ca 0.17 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2jps h VAL 14 Cb 0.30 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2jps h VAL 14 CO -0.00 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.21 2jps h ALA 15 N 1.02 1.66 -0.90 1.67 0.00 -0.97 -2.00 119.26 119.73 2jps h ALA 15 Ca 0.18 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2jps h ALA 15 Cb 0.32 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2jps h ALA 15 CO -0.00 0.31 0.58 1.49 0.00 0.00 0.00 179.25 181.63 2jps h GLU 16 N 0.63 0.81 0.08 0.00 4.81 -1.02 0.86 114.58 120.75 2jps h GLU 16 Ca 0.17 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2jps h GLU 16 Cb -0.06 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.14 2jps h GLU 16 CO -0.04 0.54 -0.60 -0.22 -0.73 0.00 0.00 179.01 177.96 2jps h LYS 17 N 0.84 0.17 0.39 1.92 1.63 -1.42 -1.69 116.57 118.41 2jps h LYS 17 Ca 0.43 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 2jps h LYS 17 Cb 0.51 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2jps h LYS 17 CO -0.20 1.14 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.69 2jps h LEU 18 N -0.62 -0.44 -1.89 5.20 3.38 -1.07 0.22 115.31 120.09 2jps h LEU 18 Ca -0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2jps h LEU 18 Cb 1.41 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 2jps h LEU 18 CO 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 178.44 178.34 2jps h ALA 19 N -0.16 1.82 -0.14 1.53 0.00 0.58 -2.37 119.26 120.51 2jps h ALA 19 Ca -0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jps h ALA 19 CO 0.09 0.10 -0.71 0.78 0.00 0.00 0.00 179.25 179.50 2jps h GLY 20 N 0.25 0.70 -4.96 0.00 0.00 -0.91 -3.45 103.07 94.69 2jps h GLY 20 Ca -0.00 -0.95 -0.60 0.00 0.00 0.00 0.00 47.33 45.78 2jps h GLY 20 CO 0.01 0.84 0.68 1.39 0.00 0.00 0.00 176.54 179.46 2jps n ILE 21 N -3.91 0.27 0.25 2.60 5.41 0.03 -4.86 119.36 119.16 2jps n ILE 21 Ca -0.05 -0.07 0.14 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 0.71 -1.39 0.62 0.00 -0.71 0.00 0.00 39.64 38.87 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 5.20 0.00 -0.85 0.38 0.13 -1.87 -2.98 132.00 132.01 2jps h PRO 22 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2jps h PRO 22 Cb 1.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 2jps h PRO 22 CO 0.83 0.12 0.48 -1.71 -0.23 0.00 0.00 178.00 177.49 2jps n ASN 23 N -3.32 4.31 -3.38 1.44 5.15 -1.26 -4.71 115.26 113.48 2jps n ASN 23 Ca -0.00 -3.69 -0.26 0.00 -0.60 0.00 0.00 54.58 50.02 2jps n ASN 23 Cb 0.34 -0.80 -0.09 0.00 -0.53 0.00 0.00 39.78 38.70 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jps n PHE 24 N -1.08 0.98 -0.10 1.20 -0.00 -1.13 -4.92 117.46 112.41 2jps n PHE 24 Ca 0.54 -3.75 -0.15 0.00 -0.00 0.00 0.00 57.45 54.09 2jps n PHE 24 Cb 1.31 -0.30 -0.14 0.00 -0.00 0.00 0.00 39.48 40.35 2jps n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2jps n ASN 25 N 1.65 1.35 -4.92 -2.13 5.15 -1.26 -4.66 115.26 110.43 2jps n ASN 25 Ca 0.25 -0.01 -0.24 0.00 -0.60 0.00 0.00 54.58 53.98 2jps n ASN 25 Cb 0.47 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.65 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2jps s GLU 26 N -2.52 3.31 -1.46 1.20 2.02 -1.26 -4.49 118.70 115.50 2jps s GLU 26 Ca -0.24 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 2jps s GLU 26 Cb 0.08 -2.86 0.05 0.00 0.10 0.00 0.00 34.13 31.51 2jps s GLU 26 CO 0.70 0.47 0.85 -0.25 0.02 0.00 0.00 175.26 177.05 2jps n ASP 27 N -0.87 -3.24 -0.10 -0.19 9.92 -1.26 -4.89 116.55 115.92 2jps n ASP 27 Ca -0.08 -0.82 -0.10 0.00 -0.53 0.00 0.00 54.79 53.26 2jps n ASP 27 Cb 0.55 -3.84 -0.15 0.00 -0.64 0.00 0.00 41.12 37.04 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 -4.52 1.30 0.05 0.53 0.00 -1.26 -3.57 119.36 111.89 2jps n ILE 28 Ca -0.09 -0.78 -0.18 0.00 0.00 0.00 0.00 62.75 61.70 2jps n ILE 28 Cb 0.59 -0.58 -0.14 0.00 0.00 0.00 0.00 39.64 39.51 2jps n ILE 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jps h LYS 29 N 0.00 0.27 0.00 9.51 3.64 -1.93 -3.22 116.57 124.83 2jps h LYS 29 Ca -0.51 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 58.30 2jps h LYS 29 Cb 2.13 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 34.11 2jps h LYS 29 CO 0.02 1.13 -0.53 1.88 -2.27 0.00 0.00 179.45 179.68 2jps h TYR 30 N 0.07 0.00 -0.10 1.91 0.05 -1.98 -3.15 116.97 113.77 2jps h TYR 30 Ca -0.30 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.32 2jps h TYR 30 Cb 2.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.77 2jps h TYR 30 CO 0.07 0.53 -0.63 -0.24 -1.05 0.00 0.00 178.16 176.83 2jps h VAL 31 N 0.00 1.37 -0.52 -2.88 3.04 -1.67 -3.11 116.25 112.48 2jps h VAL 31 Ca -0.01 -1.99 -0.08 0.00 -1.01 0.00 0.00 66.70 63.61 2jps h VAL 31 Cb 1.11 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 2jps h VAL 31 CO 0.07 0.60 -0.01 0.00 -1.01 0.00 0.00 177.57 177.22 2jps h ALA 32 N 1.05 1.01 -0.36 3.17 0.00 -1.56 -1.74 119.26 120.83 2jps h ALA 32 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jps h ALA 32 Cb 1.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2jps h ALA 32 CO 0.11 0.61 0.23 0.93 0.00 0.00 0.00 179.25 181.12 2jps h GLU 33 N 0.81 0.45 -0.76 0.00 5.08 -1.53 0.13 114.58 118.76 2jps h GLU 33 Ca 0.15 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2jps h GLU 33 Cb 0.50 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2jps h GLU 33 CO 0.02 0.30 0.28 -0.92 -1.00 0.00 0.00 179.01 177.69 2jps h TYR 34 N 0.46 1.18 -0.13 4.33 3.20 -1.47 0.12 116.97 124.67 2jps h TYR 34 Ca 0.14 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jps h TYR 34 Cb -0.02 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.06 0.91 0.08 0.82 -1.64 0.00 0.00 178.16 178.27 2jps h ILE 35 N 1.12 1.07 -0.85 1.81 2.04 -0.57 0.22 117.51 122.34 2jps h ILE 35 Ca 0.25 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2jps h ILE 35 Cb 0.25 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2jps h ILE 35 CO -0.02 0.06 0.43 0.58 0.00 0.00 0.00 178.15 179.20 2jps h VAL 36 N 0.15 1.26 -0.56 1.67 2.07 -0.46 0.58 116.25 120.95 2jps h VAL 36 Ca 0.05 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jps h VAL 36 Cb 0.03 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2jps h VAL 36 CO -0.01 0.30 0.36 0.25 0.02 0.00 0.00 177.57 178.49 2jps h LEU 37 N 1.21 0.66 -0.65 2.57 5.85 -0.16 0.44 115.31 125.23 2jps h LEU 37 Ca 0.30 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2jps h LEU 37 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jps h LEU 37 CO -0.04 0.50 0.32 -0.07 -0.34 0.00 0.00 178.44 178.80 2jps h LEU 38 N 0.76 0.84 -0.71 2.25 3.38 0.04 0.17 115.31 122.05 2jps h LEU 38 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jps h LEU 38 Cb -0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2jps h LEU 38 CO -0.04 0.73 0.29 0.40 0.09 0.00 0.00 178.44 179.91 2jps h ILE 39 N 0.89 1.24 0.00 1.22 1.08 -0.08 0.95 117.51 122.81 2jps h ILE 39 Ca 0.22 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 2jps h ILE 39 Cb 0.10 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2jps h ILE 39 CO -0.03 0.30 -0.03 0.58 -0.69 0.00 0.00 178.15 178.28 2jps h VAL 40 N 1.00 0.07 0.00 1.67 2.07 0.38 -3.27 116.25 118.18 2jps h VAL 40 Ca 0.24 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2jps h VAL 40 Cb 0.19 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2jps h VAL 40 CO -0.02 0.03 -0.24 0.59 0.02 0.00 0.00 177.57 177.95 2jps n ASN 41 N -3.13 1.58 0.00 0.57 3.02 0.00 -4.92 115.26 112.39 2jps n ASN 41 Ca 0.01 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 2jps n ASN 41 Cb 0.37 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jps n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jps n GLY 42 N -0.92 -1.87 3.27 7.41 0.00 0.32 -4.97 105.19 108.44 2jps n GLY 42 Ca 0.12 0.86 -0.39 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 1.84 2.66 -0.02 0.00 -1.24 -4.44 105.19 103.99 2jps n GLY 43 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 6.99 -0.23 0.45 2.61 -4.23 -1.26 -5.02 115.64 114.95 2jps s THR 44 Ca 0.62 -0.41 0.27 0.00 -1.18 0.00 0.00 61.69 60.99 2jps s THR 44 Cb 0.11 -0.83 0.47 0.00 1.34 0.00 0.00 72.50 73.59 2jps s THR 44 CO 0.16 -0.44 1.73 0.58 -0.54 0.00 0.00 174.62 176.11 2jps h VAL 45 N 6.35 0.37 -0.10 2.29 2.07 -1.96 0.91 116.25 126.19 2jps h VAL 45 Ca -0.17 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2jps h VAL 45 Cb 1.09 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jps h VAL 45 CO 0.35 0.04 -0.06 -0.08 0.02 0.00 0.00 177.57 177.83 2jps h GLU 46 N 0.21 0.22 -0.06 1.57 4.81 -1.96 0.51 114.58 119.88 2jps h GLU 46 Ca 0.66 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 59.60 2jps h GLU 46 Cb 2.04 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.42 2jps h GLU 46 CO -0.25 0.59 -0.77 1.03 -0.73 0.00 0.00 179.01 178.88 2jps h SER 47 N -0.15 0.46 0.31 1.04 0.87 -1.26 -0.98 113.55 113.85 2jps h SER 47 Ca 0.02 -0.32 -0.17 0.00 -1.23 0.00 0.00 61.79 60.09 2jps h SER 47 Cb 0.53 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2jps h SER 47 CO 0.02 1.07 -0.69 0.58 -0.53 0.00 0.00 176.83 177.28 2jps h VAL 48 N 0.25 1.39 0.06 2.23 2.07 0.76 -1.09 116.25 121.92 2jps h VAL 48 Ca -0.04 -2.11 -0.26 0.00 0.82 0.00 0.00 66.70 65.11 2jps h VAL 48 Cb 1.36 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2jps h VAL 48 CO 0.13 0.63 -1.09 0.58 0.02 0.00 0.00 177.57 177.84 2jps h VAL 49 N 0.24 1.37 -0.28 2.57 2.07 0.04 -2.23 116.25 120.03 2jps h VAL 49 Ca -0.02 -2.53 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 2jps h VAL 49 Cb 1.24 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2jps h VAL 49 CO 0.11 0.76 -0.34 0.44 0.02 0.00 0.00 177.57 178.57 2jps h ASP 50 N 0.24 0.64 -0.24 0.57 5.19 -1.16 0.22 116.42 121.88 2jps h ASP 50 Ca -0.13 -0.26 -0.17 0.00 -0.62 0.00 0.00 57.03 55.86 2jps h ASP 50 Cb 1.76 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2jps h ASP 50 CO 0.20 0.93 -0.50 -0.33 -3.12 0.00 0.00 179.24 176.41 2jps h GLU 51 N 0.52 0.76 -0.26 3.56 5.08 -1.22 -1.44 114.58 121.57 2jps h GLU 51 Ca 0.06 -0.50 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 2jps h GLU 51 Cb 0.83 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2jps h GLU 51 CO 0.07 1.12 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.61 2jps h LEU 52 N 0.49 0.82 -0.89 1.33 3.38 -1.32 -3.03 115.31 116.10 2jps h LEU 52 Ca 0.00 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2jps h LEU 52 Cb 1.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2jps h LEU 52 CO 0.11 1.19 0.11 0.00 0.09 0.00 0.00 178.44 179.94 2jps h ALA 53 N 0.83 1.09 -0.68 1.53 0.00 -0.54 0.99 119.26 122.48 2jps h ALA 53 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jps h ALA 53 Cb 1.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 53 CO 0.11 0.60 0.45 1.03 0.00 0.00 0.00 179.25 181.44 2jps h SER 54 N 0.88 0.67 0.06 0.00 0.87 -1.14 -2.31 113.55 112.58 2jps h SER 54 Ca 0.18 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.37 2jps h SER 54 Cb 0.37 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2jps h SER 54 CO 0.01 0.46 -2.17 0.18 -0.53 0.00 0.00 176.83 174.77 2jps n LEU 55 N -4.47 2.68 -3.91 2.23 4.77 -0.96 -4.60 117.00 112.74 2jps n LEU 55 Ca 0.09 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.80 2jps n LEU 55 Cb 0.16 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 2jps n LEU 55 CO 0.34 0.83 0.58 0.49 -1.33 0.00 0.00 177.39 178.31 2jps n PHE 56 N -3.51 3.48 -1.26 -1.77 3.72 0.34 -4.84 117.46 113.62 2jps n PHE 56 Ca -0.39 -3.59 -0.19 0.00 -0.05 0.00 0.00 57.45 53.23 2jps n PHE 56 Cb 0.99 -1.07 0.19 0.00 -0.94 0.00 0.00 39.48 38.65 2jps n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jps n ASP 57 N 1.61 3.56 -0.09 4.37 2.03 -0.88 -4.40 116.55 122.76 2jps n ASP 57 Ca 0.26 -3.62 -0.18 0.00 0.52 0.00 0.00 54.79 51.77 2jps n ASP 57 Cb 0.37 -0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 39.85 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jps n SER 58 N -1.08 1.80 -4.90 1.67 3.41 -1.26 -4.96 113.62 108.30 2jps n SER 58 Ca 0.53 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.84 2jps n SER 58 Cb 1.53 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 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 4.96 0.39 -3.33 0.11 -1.26 -5.02 120.40 113.72 2jps s VAL 59 Ca -0.28 0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.67 2jps s VAL 59 Cb 0.08 -3.76 -0.11 0.00 -1.53 0.00 0.00 36.38 31.05 2jps s VAL 59 CO 0.67 -0.46 0.95 -1.20 -3.33 0.00 0.00 175.10 171.74 2jps n SER 60 N -1.26 1.00 -0.21 3.54 7.64 -1.26 -4.83 113.62 118.23 2jps n SER 60 Ca -0.01 1.05 0.18 0.00 1.01 0.00 0.00 58.87 61.10 2jps n SER 60 Cb 0.54 -1.31 0.52 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.53 0.37 -0.79 1.43 -0.00 -1.95 -0.38 114.38 114.58 2jps h ARG 61 Ca -0.43 -0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.13 2jps h ARG 61 Cb 1.35 -0.08 -0.05 0.00 0.00 0.00 0.00 29.97 31.18 2jps h ARG 61 CO 0.57 0.25 0.52 0.22 0.00 0.00 0.00 179.97 181.52 2jps h ASP 62 N 0.38 0.64 -0.40 7.04 1.82 -1.98 0.17 116.42 124.09 2jps h ASP 62 Ca 0.43 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 57.01 2jps h ASP 62 Cb 1.10 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 2jps h ASP 62 CO -0.15 0.37 -0.07 0.74 -1.61 0.00 0.00 179.24 178.53 2jps h THR 63 N 0.70 1.27 -0.28 2.25 2.02 -1.39 0.43 112.91 117.91 2jps h THR 63 Ca 0.37 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 2jps h THR 63 Cb 0.48 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2jps h THR 63 CO -0.14 0.38 -0.16 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.58 0.62 -1.17 2.58 4.07 -1.30 -2.91 115.31 117.78 2jps h LEU 64 Ca 0.11 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 2jps h LEU 64 Cb 0.58 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 2jps h LEU 64 CO 0.03 0.91 0.34 0.00 -1.08 0.00 0.00 178.44 178.64 2jps h ALA 65 N 0.74 1.36 -0.93 1.53 0.00 -0.62 -2.11 119.26 119.23 2jps h ALA 65 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 65 Cb 0.68 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2jps h ALA 65 CO 0.05 0.51 0.62 -0.97 0.00 0.00 0.00 179.25 179.46 2jps h ASN 66 N 0.92 1.05 0.08 0.00 -0.73 -0.72 0.35 115.58 116.54 2jps h ASN 66 Ca 0.23 -0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.19 2jps h ASN 66 Cb 0.05 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.39 2jps h ASN 66 CO -0.03 0.75 -0.69 0.58 -0.37 0.00 0.00 177.43 177.67 2jps h VAL 67 N 1.24 1.34 -0.18 2.57 2.07 -1.24 -2.65 116.25 119.39 2jps h VAL 67 Ca 0.35 -1.99 -0.15 0.00 0.82 0.00 0.00 66.70 65.73 2jps h VAL 67 Cb -0.10 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2jps h VAL 67 CO -0.09 0.61 -0.52 0.58 0.02 0.00 0.00 177.57 178.18 2jps h VAL 68 N 0.39 1.32 -0.74 2.57 2.07 -0.81 -2.69 116.25 118.36 2jps h VAL 68 Ca -0.02 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 2jps h VAL 68 Cb 1.27 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 2jps h VAL 68 CO 0.13 0.55 0.34 1.56 0.02 0.00 0.00 177.57 180.16 2jps h GLN 69 N 0.40 1.09 -0.02 1.57 1.08 -0.24 -1.72 115.11 117.28 2jps h GLN 69 Ca 0.01 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 2jps h GLN 69 Cb 1.05 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2jps h GLN 69 CO 0.10 0.87 -0.45 0.00 -0.95 0.00 0.00 178.83 178.40 2jps h THR 70 N 1.06 1.32 -0.28 -0.54 1.03 -1.39 -2.48 112.91 111.62 2jps h THR 70 Ca 0.25 -1.55 -0.15 0.00 -0.01 0.00 0.00 66.41 64.95 2jps h THR 70 Cb 0.15 1.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 2jps h THR 70 CO -0.03 0.45 -0.43 0.00 -0.01 0.00 0.00 175.52 175.49 2jps h ALA 71 N 1.52 0.70 0.15 0.00 0.00 -1.09 -0.09 119.26 120.45 2jps h ALA 71 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 71 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jps h ALA 71 CO 0.06 0.67 -0.07 0.74 0.00 0.00 0.00 179.25 180.65 2jps h PHE 72 N 0.58 -0.19 -0.89 0.00 -1.00 -1.07 -1.00 116.94 113.37 2jps h PHE 72 Ca 0.04 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 2jps h PHE 72 Cb 0.98 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2jps h PHE 72 CO 0.05 0.00 0.54 0.74 -1.61 0.00 0.00 178.31 178.03 2jps h PHE 73 N -0.34 1.16 -0.93 -0.55 0.04 -1.42 -2.00 116.94 112.89 2jps h PHE 73 Ca -0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2jps h PHE 73 Cb 0.27 -0.38 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 2jps h PHE 73 CO -0.02 0.77 0.62 0.00 -0.60 0.00 0.00 178.31 179.07 2jps h ALA 74 N 1.37 1.37 -0.88 2.45 0.00 -0.66 -1.46 119.26 121.45 2jps h ALA 74 Ca 0.32 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2jps h ALA 74 Cb -0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.31 2jps h ALA 74 CO -0.06 0.57 0.55 -0.07 0.00 0.00 0.00 179.25 180.24 2jps h LEU 75 N 1.22 0.88 -0.36 0.00 -0.00 -0.41 0.51 115.31 117.14 2jps h LEU 75 Ca 0.36 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 58.10 2jps h LEU 75 Cb -0.07 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 2jps h LEU 75 CO -0.09 0.57 -0.36 -0.33 -0.00 0.00 0.00 178.44 178.23 2jps h GLU 76 N 1.02 0.88 -0.58 1.13 5.08 -1.29 -2.32 114.58 118.51 2jps h GLU 76 Ca 0.37 -0.46 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2jps h GLU 76 Cb 0.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jps h GLU 76 CO -0.16 1.11 -0.05 0.00 -1.00 0.00 0.00 179.01 178.91 2jps h ALA 77 N 0.76 0.81 -0.82 3.43 0.00 -0.48 -2.84 119.26 120.11 2jps h ALA 77 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2jps h ALA 77 Cb 0.95 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2jps h ALA 77 CO 0.09 0.67 0.42 -0.07 0.00 0.00 0.00 179.25 180.36 2jps h LEU 78 N 0.95 1.06 -1.87 0.00 3.38 0.07 -1.01 115.31 117.89 2jps h LEU 78 Ca 0.16 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2jps h LEU 78 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jps h LEU 78 CO 0.04 0.87 0.23 1.56 0.09 0.00 0.00 178.44 181.23 2jps h GLN 79 N 1.16 0.15 0.10 1.13 4.20 -1.17 -2.89 115.11 117.79 2jps h GLN 79 Ca 0.29 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 58.70 2jps h GLN 79 Cb 0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2jps h GLN 79 CO -0.04 0.10 -1.50 0.37 -0.67 0.00 0.00 178.83 177.09 2jps h GLN 80 N 0.15 0.21 0.00 1.46 5.75 -1.33 -3.50 115.11 117.85 2jps h GLN 80 Ca 0.15 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 2jps h GLN 80 Cb 0.41 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2jps h GLN 80 CO -0.02 1.17 0.00 0.41 -2.65 0.00 0.00 178.83 177.74 2jps n GLY 81 N 1.74 0.43 3.78 2.39 0.00 -0.45 -5.14 105.19 107.94 2jps n GLY 81 Ca -0.27 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2jps n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jps s GLU 82 N 0.00 2.20 -0.10 1.61 0.41 -1.21 -5.00 118.70 116.62 2jps s GLU 82 Ca 0.00 -2.10 0.01 0.00 -0.41 0.00 0.00 54.97 52.48 2jps s GLU 82 Cb 0.00 -1.84 -0.02 0.00 -1.78 0.00 0.00 34.13 30.49 2jps s GLU 82 CO 0.00 -0.33 -0.13 -1.54 -0.49 0.00 0.00 175.26 172.77 2jps s SER 83 N -3.98 4.06 -0.18 -0.19 1.04 -1.26 -4.96 113.70 108.22 2jps s SER 83 Ca 0.27 -0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.57 2jps s SER 83 Cb 0.02 -1.32 -0.23 0.00 0.10 0.00 0.00 66.02 64.59 2jps s SER 83 CO 0.15 0.24 0.15 0.00 0.98 0.00 0.00 173.24 174.76 2jps n ALA 84 N 3.03 1.46 -0.26 5.32 0.00 -1.26 -4.37 120.51 124.42 2jps n ALA 84 Ca -0.18 -1.15 0.03 0.00 0.00 0.00 0.00 53.44 52.14 2jps n ALA 84 Cb 0.53 -0.32 0.25 0.00 0.00 0.00 0.00 19.45 19.91 2jps n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jps h GLU 85 N 0.00 0.98 -0.92 0.00 4.81 -1.95 -1.93 114.58 115.57 2jps h GLU 85 Ca -0.50 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.75 2jps h GLU 85 Cb 2.14 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 31.23 2jps h GLU 85 CO 0.02 0.65 0.59 -0.91 -0.73 0.00 0.00 179.01 178.63 2jps h ASN 86 N 1.01 0.90 -0.24 1.04 4.21 -2.01 -0.91 115.58 119.58 2jps h ASN 86 Ca 0.34 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.79 2jps h ASN 86 Cb 0.09 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 2jps h ASN 86 CO -0.11 0.56 -0.07 0.40 -1.29 0.00 0.00 177.43 176.93 2jps h ILE 87 N 1.01 1.23 -0.71 2.81 2.04 -1.57 -2.66 117.51 119.66 2jps h ILE 87 Ca 0.40 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2jps h ILE 87 Cb 0.25 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2jps h ILE 87 CO -0.16 0.33 0.41 0.58 0.00 0.00 0.00 178.15 179.31 2jps h VAL 88 N 0.56 1.21 -0.87 1.67 2.07 -1.07 -2.12 116.25 117.70 2jps h VAL 88 Ca 0.11 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.24 2jps h VAL 88 Cb 0.46 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2jps h VAL 88 CO 0.02 0.22 0.51 -1.28 0.02 0.00 0.00 177.57 177.07 2jps h SER 89 N 0.98 0.73 0.04 0.57 0.87 -1.27 0.40 113.55 115.88 2jps h SER 89 Ca 0.25 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 2jps h SER 89 Cb -0.01 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2jps h SER 89 CO -0.04 0.41 -0.45 0.50 -0.53 0.00 0.00 176.83 176.72 2jps h LYS 90 N 0.84 0.49 -0.30 2.24 3.64 -1.45 -2.88 116.57 119.15 2jps h LYS 90 Ca 0.42 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 2jps h LYS 90 Cb 0.40 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2jps h LYS 90 CO -0.26 0.85 -0.47 0.82 -2.27 0.00 0.00 179.45 178.13 2jps h ILE 91 N 0.40 1.29 -0.70 2.00 1.08 -0.53 -2.37 117.51 118.68 2jps h ILE 91 Ca 0.03 -1.66 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 2jps h ILE 91 Cb 0.95 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 2jps h ILE 91 CO 0.08 0.54 0.45 -0.09 -0.69 0.00 0.00 178.15 178.44 2jps h ARG 92 N 0.62 0.93 -0.17 2.37 2.43 -0.18 0.84 114.38 121.23 2jps h ARG 92 Ca 0.03 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2jps h ARG 92 Cb 1.04 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2jps h ARG 92 CO 0.10 0.63 -0.65 0.52 -1.51 0.00 0.00 179.97 179.06 2jps h MET 93 N 0.96 0.74 -0.16 0.20 2.86 -1.39 -1.04 114.93 117.10 2jps h MET 93 Ca 0.26 -0.57 -0.18 0.00 -2.06 0.00 0.00 59.70 57.14 2jps h MET 93 Cb -0.09 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2jps h MET 93 CO -0.05 1.18 -0.65 0.52 1.06 0.00 0.00 176.91 178.97 2jps h MET 94 N 0.45 0.59 -0.23 1.72 2.86 -0.95 -2.76 114.93 116.61 2jps h MET 94 Ca -0.03 -0.42 -0.13 0.00 -2.06 0.00 0.00 59.70 57.06 2jps h MET 94 Cb 1.28 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2jps h MET 94 CO 0.14 1.04 -0.38 -0.91 1.06 0.00 0.00 176.91 177.86 2jps h ASN 95 N 0.43 0.56 -0.51 1.22 2.35 0.70 -2.84 115.58 117.50 2jps h ASN 95 Ca -0.01 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 2jps h ASN 95 Cb 1.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 2jps h ASN 95 CO 0.12 0.89 -0.03 0.00 -1.65 0.00 0.00 177.43 176.76 2jps h ALA 96 N 1.14 0.91 -0.68 -0.83 0.00 -1.12 -2.69 119.26 115.99 2jps h ALA 96 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 96 Cb 0.87 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jps h ALA 96 CO 0.07 0.64 0.26 0.37 0.00 0.00 0.00 179.25 180.60 2jps h GLN 97 N 0.88 1.02 -0.81 0.00 4.15 -1.36 0.80 115.11 119.79 2jps h GLN 97 Ca 0.15 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2jps h GLN 97 Cb 0.56 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 2jps h GLN 97 CO 0.03 0.85 0.48 0.77 -1.93 0.00 0.00 178.83 179.03 2jps h SER 98 N 0.97 0.97 -0.59 -0.69 0.02 -1.31 -2.94 113.55 109.99 2jps h SER 98 Ca 0.23 -0.06 -0.41 0.00 -0.84 0.00 0.00 61.79 60.70 2jps h SER 98 Cb 0.22 -0.24 -0.29 0.00 0.14 0.00 0.00 62.40 62.22 2jps h SER 98 CO -0.02 0.75 -0.48 -0.11 -1.14 0.00 0.00 176.83 175.83 2jps n LEU 99 N -4.37 4.72 -3.36 5.07 7.94 -0.98 -4.85 117.00 121.17 2jps n LEU 99 Ca 0.09 -4.41 -0.26 0.00 -1.11 0.00 0.00 56.01 50.31 2jps n LEU 99 Cb 0.07 -0.49 -0.09 0.00 0.53 0.00 0.00 43.42 43.44 2jps n LEU 99 CO 0.38 1.80 -0.29 0.61 -1.11 0.00 0.00 177.39 178.77 2jps n GLY 100 N -0.87 2.49 2.92 -3.96 0.00 0.27 -4.95 105.19 101.10 2jps n GLY 100 Ca 0.40 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -0.43 1.31 -1.22 1.61 -0.21 -1.26 -4.77 119.66 114.69 2jps s GLN 101 Ca 0.33 -1.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.15 2jps s GLN 101 Cb 0.08 -2.74 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 2jps s GLN 101 CO -0.17 -0.88 0.74 0.45 -2.12 0.00 0.00 175.29 173.30 2jps n SER 102 N 4.50 -3.39 -4.17 5.90 2.88 -1.26 -4.98 113.62 113.11 2jps n SER 102 Ca -0.01 -0.90 -0.34 0.00 -1.33 0.00 0.00 58.87 56.29 2jps n SER 102 Cb 0.42 -3.86 -0.15 0.00 -0.75 0.00 0.00 64.21 59.87 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 -3.89 3.92 -0.60 -3.46 2.15 -1.26 -5.06 116.67 108.45 2jps s ASP 103 Ca 0.24 -0.82 0.01 0.00 0.43 0.00 0.00 52.55 52.42 2jps s ASP 103 Cb -0.07 -1.59 0.15 0.00 -0.30 0.00 0.00 42.92 41.11 2jps s ASP 103 CO 0.83 -0.08 0.39 -0.63 -0.17 0.00 0.00 175.17 175.50 2jps s ILE 104 N 1.30 3.16 0.00 4.11 1.01 -1.26 -5.14 121.20 124.38 2jps s ILE 104 Ca 0.01 -3.32 0.00 0.00 0.00 0.00 0.00 60.65 57.34 2jps s ILE 104 Cb -0.16 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2jps s ILE 104 CO -0.07 -0.87 0.49 0.00 0.00 0.00 0.00 174.94 174.48