#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 3.55 -0.28 7.83 1.04 -1.26 -5.03 113.70 119.56 2jps s SER 2 Ca 0.00 -0.39 0.13 0.00 0.48 0.00 0.00 55.95 56.17 2jps s SER 2 Cb 0.00 -1.07 0.48 0.00 0.10 0.00 0.00 66.02 65.53 2jps s SER 2 CO 0.00 0.25 1.16 0.00 0.98 0.00 0.00 173.24 175.63 2jps n GLN 3 N 2.96 2.90 -0.29 4.02 1.13 -1.26 -4.84 117.38 121.99 2jps n GLN 3 Ca -0.18 -3.91 -0.06 0.00 -1.94 0.00 0.00 57.00 50.91 2jps n GLN 3 Cb 0.52 -2.02 0.07 0.00 0.11 0.00 0.00 30.24 28.92 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jps h GLU 4 N 2.33 1.20 -0.89 -1.09 4.57 -1.98 -1.29 114.58 117.42 2jps h GLU 4 Ca 0.18 -0.21 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 2jps h GLU 4 Cb 1.44 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 2jps h GLU 4 CO 0.54 0.96 0.57 -0.56 -1.18 0.00 0.00 179.01 179.34 2jps h GLN 5 N 1.16 0.76 -0.09 1.92 3.07 -2.00 0.48 115.11 120.42 2jps h GLN 5 Ca 0.27 -0.05 -0.22 0.00 0.09 0.00 0.00 58.65 58.74 2jps h GLN 5 Cb 0.21 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 27.60 2jps h GLN 5 CO -0.02 0.50 -0.84 1.88 0.09 0.00 0.00 178.83 180.44 2jps h TYR 6 N 0.78 0.89 -0.67 0.06 -1.99 -1.81 -2.64 116.97 111.60 2jps h TYR 6 Ca 0.43 -0.42 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 2jps h TYR 6 Cb 0.57 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 2jps h TYR 6 CO -0.00 1.24 0.21 1.15 -0.00 0.00 0.00 178.16 180.76 2jps h THR 7 N 0.42 1.25 -0.54 -2.88 2.02 0.20 0.90 112.91 114.27 2jps h THR 7 Ca -0.07 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 2jps h THR 7 Cb 1.46 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2jps h THR 7 CO 0.16 0.33 0.04 -0.08 0.37 0.00 0.00 175.52 176.34 2jps h GLU 8 N 0.98 0.93 -0.03 6.66 4.81 -0.14 0.81 114.58 128.60 2jps h GLU 8 Ca 0.22 -0.28 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 2jps h GLU 8 Cb 0.30 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.60 2jps h GLU 8 CO -0.01 0.93 -0.90 -0.91 -0.73 0.00 0.00 179.01 177.39 2jps h ASN 9 N 0.81 0.85 -0.40 1.04 4.21 -1.25 -3.14 115.58 117.71 2jps h ASN 9 Ca 0.16 -0.72 -0.09 0.00 1.21 0.00 0.00 56.30 56.86 2jps h ASN 9 Cb 0.48 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 2jps h ASN 9 CO 0.02 1.45 -0.07 0.25 -1.29 0.00 0.00 177.43 177.79 2jps h LEU 10 N 0.33 0.82 -1.57 1.61 5.85 0.95 -2.55 115.31 120.75 2jps h LEU 10 Ca -0.10 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.47 2jps h LEU 10 Cb 1.56 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 2jps h LEU 10 CO 0.18 0.92 0.41 0.50 -0.34 0.00 0.00 178.44 180.11 2jps h LYS 11 N 0.76 0.48 -0.11 1.25 3.11 0.67 0.27 116.57 123.00 2jps h LYS 11 Ca 0.13 -0.03 -0.20 0.00 -2.81 0.00 0.00 60.65 57.75 2jps h LYS 11 Cb 0.55 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.69 2jps h LYS 11 CO 0.03 0.32 -0.71 0.28 -2.81 0.00 0.00 179.45 176.56 2jps h VAL 12 N 0.50 1.31 -0.01 2.00 2.07 -1.42 0.27 116.25 120.98 2jps h VAL 12 Ca 0.28 -1.96 -0.12 0.00 0.82 0.00 0.00 66.70 65.72 2jps h VAL 12 Cb 0.46 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2jps h VAL 12 CO -0.08 0.61 -0.57 0.40 0.02 0.00 0.00 177.57 177.94 2jps h ILE 13 N 0.35 1.41 0.24 4.57 2.04 -1.06 -1.41 117.51 123.65 2jps h ILE 13 Ca -0.06 -1.95 -0.33 0.00 1.00 0.00 0.00 64.86 63.52 2jps h ILE 13 Cb 1.35 2.05 0.03 0.00 -0.74 0.00 0.00 36.82 39.51 2jps h ILE 13 CO 0.15 0.56 -1.46 0.58 0.00 0.00 0.00 178.15 177.97 2jps h VAL 14 N 0.01 1.30 -0.34 1.67 2.07 -0.49 -3.28 116.25 117.19 2jps h VAL 14 Ca -0.01 -2.75 -0.07 0.00 0.82 0.00 0.00 66.70 64.70 2jps h VAL 14 Cb 1.01 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.79 2jps h VAL 14 CO 0.08 0.82 -0.07 0.00 0.02 0.00 0.00 177.57 178.42 2jps h ALA 15 N 0.21 1.25 -0.09 1.67 0.00 -0.88 -2.23 119.26 119.20 2jps h ALA 15 Ca -0.24 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 15 Cb 2.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jps h ALA 15 CO 0.26 0.49 0.11 1.05 0.00 0.00 0.00 179.25 181.17 2jps h GLU 16 N 0.52 0.00 0.00 0.00 -0.00 -1.31 0.19 114.58 113.98 2jps h GLU 16 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.40 2jps h GLU 16 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 2jps h GLU 16 CO 0.02 0.00 -0.40 -0.22 -0.00 0.00 0.00 179.01 178.41 2jps h LYS 17 N 0.00 0.00 -0.89 1.06 3.11 -1.51 -2.26 116.57 116.08 2jps h LYS 17 Ca 0.04 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.97 2jps h LYS 17 Cb 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.42 2jps h LYS 17 CO -0.00 0.67 0.55 -0.07 -2.81 0.00 0.00 179.45 177.79 2jps h LEU 18 N -1.00 0.83 -0.96 5.20 4.07 -1.30 0.76 115.31 122.91 2jps h LEU 18 Ca -0.09 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 2jps h LEU 18 Cb 0.82 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 2jps h LEU 18 CO -0.06 0.50 -0.46 0.00 -1.08 0.00 0.00 178.44 177.34 2jps h ALA 19 N 1.45 1.07 0.07 1.53 0.00 -0.77 -3.18 119.26 119.42 2jps h ALA 19 Ca 0.41 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2jps h ALA 19 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jps h ALA 19 CO -0.21 0.58 -1.52 0.78 0.00 0.00 0.00 179.25 178.88 2jps h GLY 20 N 1.77 0.16 -5.47 0.00 0.00 -0.38 -3.47 103.07 95.68 2jps h GLY 20 Ca -0.00 -0.41 -0.65 0.00 0.00 0.00 0.00 47.33 46.26 2jps h GLY 20 CO 0.06 0.36 0.70 1.39 0.00 0.00 0.00 176.54 179.06 2jps n ILE 21 N -3.33 0.11 0.30 2.60 5.41 0.24 -4.85 119.36 119.85 2jps n ILE 21 Ca -0.15 -0.02 0.16 0.00 1.00 0.00 0.00 62.75 63.74 2jps n ILE 21 Cb 1.03 -1.23 0.61 0.00 -0.71 0.00 0.00 39.64 39.34 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 5.93 0.00 -0.88 0.38 0.13 -1.89 -3.09 132.00 132.57 2jps h PRO 22 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 2jps h PRO 22 Cb 1.30 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.86 0.00 0.53 -1.71 -0.23 0.00 0.00 178.00 177.44 2jps n ASN 23 N -2.92 4.31 -4.05 1.44 2.85 -1.26 -4.87 115.26 110.76 2jps n ASN 23 Ca 0.01 -3.68 -0.32 0.00 -0.11 0.00 0.00 54.58 50.48 2jps n ASN 23 Cb 0.31 -0.82 -0.15 0.00 1.24 0.00 0.00 39.78 40.37 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2jps s PHE 24 N -3.40 3.55 -0.16 1.20 2.19 -1.17 -4.86 117.98 115.32 2jps s PHE 24 Ca 0.56 -2.69 -0.04 0.00 0.33 0.00 0.00 56.93 55.10 2jps s PHE 24 Cb 0.47 -2.52 -0.03 0.00 -1.31 0.00 0.00 43.02 39.64 2jps s PHE 24 CO 0.06 -0.92 -0.03 -0.80 1.83 0.00 0.00 175.22 175.36 2jps s ASN 25 N 1.02 4.77 0.37 6.13 -0.87 -1.26 -4.98 114.94 120.12 2jps s ASN 25 Ca 0.03 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 2jps s ASN 25 Cb -0.20 -1.78 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 2jps s ASN 25 CO -0.06 0.15 0.00 1.21 -2.57 0.00 0.00 177.10 175.82 2jps n GLU 26 N 3.67 -2.51 -3.69 -0.60 2.13 -1.26 -4.85 120.64 113.52 2jps n GLU 26 Ca -0.17 1.83 -0.27 0.00 0.66 0.00 0.00 57.16 59.21 2jps n GLU 26 Cb 0.52 -3.09 0.03 0.00 0.27 0.00 0.00 31.44 29.18 2jps n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jps n ASP 27 N -4.30 -3.58 -0.08 4.31 8.00 -1.26 -4.93 116.55 114.72 2jps n ASP 27 Ca -0.02 -0.94 -0.11 0.00 0.71 0.00 0.00 54.79 54.42 2jps n ASP 27 Cb 0.65 -3.65 -0.07 0.00 -0.02 0.00 0.00 41.12 38.03 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jps n ILE 28 N -4.16 0.87 -0.02 0.53 0.00 -1.26 -4.09 119.36 111.24 2jps n ILE 28 Ca -0.18 -0.32 -0.16 0.00 0.00 0.00 0.00 62.75 62.09 2jps n ILE 28 Cb 0.63 -1.13 -0.05 0.00 0.00 0.00 0.00 39.64 39.09 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 -0.08 0.75 -0.20 9.51 1.79 -1.95 -2.69 116.57 123.70 2jps h LYS 29 Ca -0.35 -0.60 -0.10 0.00 -2.18 0.00 0.00 60.65 57.43 2jps h LYS 29 Cb 1.50 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 2jps h LYS 29 CO -0.08 1.21 -0.30 1.88 -1.08 0.00 0.00 179.45 181.08 2jps h TYR 30 N 0.52 0.45 -0.38 -1.35 0.05 -1.98 -1.98 116.97 112.30 2jps h TYR 30 Ca -0.04 -0.10 -0.15 0.00 0.05 0.00 0.00 58.73 58.48 2jps h TYR 30 Cb 1.37 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 2jps h TYR 30 CO 0.08 0.66 -0.36 0.28 -1.05 0.00 0.00 178.16 177.77 2jps h VAL 31 N 0.35 1.28 -0.44 -2.88 2.07 -1.69 -1.52 116.25 113.40 2jps h VAL 31 Ca 0.05 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 2jps h VAL 31 Cb 0.71 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2jps h VAL 31 CO 0.05 0.51 -0.13 0.00 0.02 0.00 0.00 177.57 178.03 2jps h ALA 32 N 0.85 0.61 -0.52 1.67 0.00 -1.33 -0.53 119.26 120.02 2jps h ALA 32 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jps h ALA 32 Cb 0.94 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 32 CO 0.09 0.52 0.27 0.93 0.00 0.00 0.00 179.25 181.06 2jps h GLU 33 N 0.70 0.74 -0.59 0.00 5.08 -1.27 0.66 114.58 119.90 2jps h GLU 33 Ca 0.11 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2jps h GLU 33 Cb 0.68 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2jps h GLU 33 CO 0.05 0.59 0.19 -0.92 -1.00 0.00 0.00 179.01 177.92 2jps h TYR 34 N 0.70 0.95 -0.19 4.33 3.20 -1.14 0.27 116.97 125.08 2jps h TYR 34 Ca 0.18 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jps h TYR 34 Cb 0.08 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2jps h TYR 34 CO -0.01 0.79 0.12 0.82 -1.64 0.00 0.00 178.16 178.23 2jps h ILE 35 N 0.83 1.03 -0.86 1.81 2.04 -0.63 0.24 117.51 121.98 2jps h ILE 35 Ca 0.19 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2jps h ILE 35 Cb 0.28 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2jps h ILE 35 CO -0.01 0.04 0.46 0.58 0.00 0.00 0.00 178.15 179.23 2jps h VAL 36 N 0.24 1.26 -0.66 1.67 2.07 -0.58 0.45 116.25 120.70 2jps h VAL 36 Ca 0.07 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2jps h VAL 36 Cb -0.02 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2jps h VAL 36 CO -0.03 0.29 0.42 0.25 0.02 0.00 0.00 177.57 178.53 2jps h LEU 37 N 1.21 0.70 -0.42 2.57 5.85 0.41 0.85 115.31 126.49 2jps h LEU 37 Ca 0.30 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2jps h LEU 37 Cb 0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2jps h LEU 37 CO -0.05 0.49 0.22 -0.07 -0.34 0.00 0.00 178.44 178.69 2jps h LEU 38 N 0.83 0.53 -0.57 2.25 3.38 0.26 0.24 115.31 122.23 2jps h LEU 38 Ca 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 38 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jps h LEU 38 CO -0.09 0.49 0.30 0.40 0.09 0.00 0.00 178.44 179.62 2jps h ILE 39 N 0.54 1.20 0.00 1.22 1.08 0.05 0.83 117.51 122.42 2jps h ILE 39 Ca 0.14 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2jps h ILE 39 Cb 0.08 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2jps h ILE 39 CO -0.02 0.22 0.00 0.58 -0.69 0.00 0.00 178.15 178.23 2jps h VAL 40 N 0.77 0.00 0.00 1.67 2.07 0.11 -3.21 116.25 117.66 2jps h VAL 40 Ca 0.20 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2jps h VAL 40 Cb 0.07 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2jps h VAL 40 CO -0.03 0.00 -0.37 0.59 0.02 0.00 0.00 177.57 177.79 2jps n ASN 41 N -2.88 1.38 0.00 0.57 3.02 0.03 -4.95 115.26 112.44 2jps n ASN 41 Ca 0.01 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 2jps n ASN 41 Cb 0.27 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.72 -1.77 3.14 7.41 0.00 0.28 -4.97 105.19 108.56 2jps n GLY 42 Ca 0.11 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.43 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 2.35 2.90 -0.02 0.00 -1.23 -4.36 105.19 104.81 2jps n GLY 43 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 5.27 1.55 0.39 2.61 -4.23 -1.26 -5.00 115.64 114.96 2jps s THR 44 Ca 0.59 -1.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.62 2jps s THR 44 Cb 0.14 -2.04 0.37 0.00 1.34 0.00 0.00 72.50 72.32 2jps s THR 44 CO 0.14 -0.46 1.80 0.58 -0.54 0.00 0.00 174.62 176.14 2jps h VAL 45 N 6.59 0.60 0.18 2.29 2.07 -1.94 0.90 116.25 126.94 2jps h VAL 45 Ca -0.12 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jps h VAL 45 Cb 1.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2jps h VAL 45 CO 0.47 0.08 -0.09 -0.33 0.02 0.00 0.00 177.57 177.72 2jps h GLU 46 N 0.46 -0.24 -0.18 1.57 5.08 -1.97 0.13 114.58 119.44 2jps h GLU 46 Ca 0.56 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.84 2jps h GLU 46 Cb 1.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2jps h GLU 46 CO -0.28 0.16 -0.30 0.66 -1.00 0.00 0.00 179.01 178.25 2jps h SER 47 N -0.75 0.35 -0.26 1.42 4.64 -1.77 -1.66 113.55 115.52 2jps h SER 47 Ca -0.03 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 2jps h SER 47 Cb 0.51 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2jps h SER 47 CO 0.04 0.65 -0.43 0.58 -0.87 0.00 0.00 176.83 176.80 2jps h VAL 48 N 0.30 1.30 -0.42 0.95 2.07 0.82 -3.00 116.25 118.27 2jps h VAL 48 Ca 0.04 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2jps h VAL 48 Cb 0.69 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2jps h VAL 48 CO 0.05 0.52 -0.19 0.58 0.02 0.00 0.00 177.57 178.56 2jps h VAL 49 N 0.50 1.27 -0.48 2.57 2.07 -0.60 -2.67 116.25 118.91 2jps h VAL 49 Ca 0.02 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.30 2jps h VAL 49 Cb 1.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2jps h VAL 49 CO 0.10 0.44 0.32 0.44 0.02 0.00 0.00 177.57 178.89 2jps h ASP 50 N 0.71 0.35 -0.29 0.57 5.19 -1.25 0.21 116.42 121.92 2jps h ASP 50 Ca 0.10 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.33 2jps h ASP 50 Cb 0.70 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2jps h ASP 50 CO 0.05 0.23 -0.55 -0.33 -3.12 0.00 0.00 179.24 175.52 2jps h GLU 51 N 0.41 0.89 -0.06 3.56 3.07 -1.33 -0.64 114.58 120.47 2jps h GLU 51 Ca 0.21 -0.56 -0.23 0.00 -0.50 0.00 0.00 59.36 58.28 2jps h GLU 51 Cb 0.30 0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2jps h GLU 51 CO -0.05 1.20 -0.88 -0.07 -1.40 0.00 0.00 179.01 177.81 2jps h LEU 52 N 0.68 0.71 -0.84 1.33 -0.00 -1.26 -3.14 115.31 112.78 2jps h LEU 52 Ca 0.01 -0.52 -0.09 0.00 -0.00 0.00 0.00 57.88 57.28 2jps h LEU 52 Cb 1.16 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.59 2jps h LEU 52 CO 0.12 1.30 -0.14 0.00 -0.00 0.00 0.00 178.44 179.73 2jps h ALA 53 N 0.66 1.02 -0.65 1.53 0.00 -0.60 1.05 119.26 122.27 2jps h ALA 53 Ca -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jps h ALA 53 Cb 1.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2jps h ALA 53 CO 0.16 0.59 0.43 0.66 0.00 0.00 0.00 179.25 181.09 2jps h SER 54 N 0.64 0.73 0.04 0.00 4.64 -1.08 -2.55 113.55 115.97 2jps h SER 54 Ca 0.11 -0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 61.03 2jps h SER 54 Cb 0.60 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 2jps h SER 54 CO 0.04 0.53 -2.27 0.18 -0.87 0.00 0.00 176.83 174.44 2jps n LEU 55 N -4.44 2.69 -3.93 5.97 4.77 -1.05 -4.65 117.00 116.36 2jps n LEU 55 Ca 0.07 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.06 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 2jps n LEU 55 CO 0.36 0.83 0.48 0.49 -1.33 0.00 0.00 177.39 178.22 2jps n PHE 56 N -3.51 3.68 -1.17 -1.77 3.72 0.36 -4.86 117.46 113.92 2jps n PHE 56 Ca -0.42 -3.78 -0.16 0.00 -0.05 0.00 0.00 57.45 53.04 2jps n PHE 56 Cb 0.98 -1.05 0.23 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.75 4.14 -0.10 4.37 2.03 -0.97 -4.32 116.55 123.45 2jps n ASP 57 Ca 0.25 -3.46 -0.18 0.00 0.52 0.00 0.00 54.79 51.91 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 -0.75 1.89 -4.86 1.67 3.41 -1.26 -4.96 113.62 108.76 2jps n SER 58 Ca 0.51 -0.05 -0.31 0.00 -0.26 0.00 0.00 58.87 58.76 2jps n SER 58 Cb 1.53 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 65.03 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 4.69 0.31 -3.33 0.11 -1.26 -4.99 120.40 113.40 2jps s VAL 59 Ca -0.30 0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 59.31 2jps s VAL 59 Cb 0.08 -3.77 -0.13 0.00 -1.53 0.00 0.00 36.38 31.03 2jps s VAL 59 CO 0.65 -0.74 1.19 -1.54 -3.33 0.00 0.00 175.10 171.33 2jps n SER 60 N -1.79 2.18 -0.20 3.54 3.41 -1.26 -4.84 113.62 114.65 2jps n SER 60 Ca 0.04 1.19 0.20 0.00 -0.26 0.00 0.00 58.87 60.04 2jps n SER 60 Cb 0.54 -1.40 0.55 0.00 -0.26 0.00 0.00 64.21 63.64 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jps h ARG 61 N 2.45 0.32 -0.88 4.33 2.47 -1.95 -0.63 114.38 120.49 2jps h ARG 61 Ca -0.43 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.35 2jps h ARG 61 Cb 1.31 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.49 2jps h ARG 61 CO 0.63 0.21 0.57 -0.44 0.56 0.00 0.00 179.97 181.50 2jps h ASP 62 N 0.33 0.82 -0.46 7.04 5.19 -1.98 0.16 116.42 127.52 2jps h ASP 62 Ca 0.43 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.79 2jps h ASP 62 Cb 1.17 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 2jps h ASP 62 CO -0.13 0.50 0.02 0.74 -3.12 0.00 0.00 179.24 177.25 2jps h THR 63 N 0.92 1.26 -0.26 0.35 2.02 -1.45 0.12 112.91 115.87 2jps h THR 63 Ca 0.40 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 2jps h THR 63 Cb 0.32 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2jps h THR 63 CO -0.16 0.35 -0.10 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.66 0.54 -1.26 2.58 4.07 -1.33 -2.87 115.31 117.70 2jps h LEU 64 Ca 0.13 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 2jps h LEU 64 Cb 0.47 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 2jps h LEU 64 CO 0.02 0.81 0.24 0.00 -1.08 0.00 0.00 178.44 178.43 2jps h ALA 65 N 0.75 1.43 -0.73 1.53 0.00 -0.59 -2.18 119.26 119.45 2jps h ALA 65 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jps h ALA 65 Cb 0.60 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2jps h ALA 65 CO 0.03 0.45 0.48 -0.91 0.00 0.00 0.00 179.25 179.30 2jps h ASN 66 N 0.75 0.77 -0.11 0.00 2.35 -0.54 0.46 115.58 119.25 2jps h ASN 66 Ca 0.18 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.72 2jps h ASN 66 Cb 0.10 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2jps h ASN 66 CO -0.02 0.53 -0.68 0.58 -1.65 0.00 0.00 177.43 176.18 2jps h VAL 67 N 0.89 1.29 -0.14 2.81 2.07 -1.27 -2.16 116.25 119.74 2jps h VAL 67 Ca 0.29 -1.91 -0.17 0.00 0.82 0.00 0.00 66.70 65.73 2jps h VAL 67 Cb 0.05 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jps h VAL 67 CO -0.08 0.60 -0.64 0.58 0.02 0.00 0.00 177.57 178.06 2jps h VAL 68 N 0.53 1.34 -0.73 2.57 2.07 -1.15 -2.54 116.25 118.35 2jps h VAL 68 Ca -0.02 -1.94 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 2jps h VAL 68 Cb 1.29 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2jps h VAL 68 CO 0.14 0.60 0.35 1.56 0.02 0.00 0.00 177.57 180.24 2jps h GLN 69 N 0.38 1.05 -0.05 1.57 4.20 -0.04 -1.93 115.11 120.28 2jps h GLN 69 Ca -0.01 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 2jps h GLN 69 Cb 1.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2jps h GLN 69 CO 0.12 0.82 -0.42 0.00 -0.67 0.00 0.00 178.83 178.68 2jps h THR 70 N 1.02 1.31 -0.40 -0.54 1.03 -1.32 -2.68 112.91 111.32 2jps h THR 70 Ca 0.25 -1.49 -0.10 0.00 -0.01 0.00 0.00 66.41 65.06 2jps h THR 70 Cb 0.12 1.74 -0.02 0.00 -1.07 0.00 0.00 68.15 68.92 2jps h THR 70 CO -0.03 0.44 -0.15 0.00 -0.01 0.00 0.00 175.52 175.76 2jps h ALA 71 N 1.47 0.98 0.22 0.00 0.00 -0.96 0.05 119.26 121.03 2jps h ALA 71 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jps h ALA 71 Cb 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jps h ALA 71 CO 0.06 0.60 -0.11 0.74 0.00 0.00 0.00 179.25 180.54 2jps h PHE 72 N 0.67 -0.28 -0.93 0.00 -1.00 -1.06 -1.59 116.94 112.75 2jps h PHE 72 Ca 0.11 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.91 2jps h PHE 72 Cb 0.63 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.23 2jps h PHE 72 CO 0.03 -0.04 0.62 0.74 -1.61 0.00 0.00 178.31 178.05 2jps h PHE 73 N -0.49 1.15 -0.91 -0.55 0.04 -1.40 -1.64 116.94 113.14 2jps h PHE 73 Ca -0.03 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2jps h PHE 73 Cb 0.37 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 2jps h PHE 73 CO -0.01 0.68 0.60 0.00 -0.60 0.00 0.00 178.31 178.98 2jps h ALA 74 N 1.44 1.42 -0.89 2.45 0.00 -0.70 -0.65 119.26 122.34 2jps h ALA 74 Ca 0.36 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2jps h ALA 74 Cb -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.36 2jps h ALA 74 CO -0.10 0.49 0.56 -0.07 0.00 0.00 0.00 179.25 180.13 2jps h LEU 75 N 1.14 0.88 -0.18 0.00 -0.00 -0.28 0.81 115.31 117.69 2jps h LEU 75 Ca 0.36 0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 58.06 2jps h LEU 75 Cb 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2jps h LEU 75 CO -0.11 0.56 -0.66 -0.33 -0.00 0.00 0.00 178.44 177.91 2jps h GLU 76 N 1.02 0.76 -0.35 1.13 4.39 -1.29 -2.66 114.58 117.59 2jps h GLU 76 Ca 0.39 -0.58 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 2jps h GLU 76 Cb 0.17 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2jps h GLU 76 CO -0.17 1.20 -0.16 0.00 -1.16 0.00 0.00 179.01 178.71 2jps h ALA 77 N 0.57 1.07 -0.67 3.43 0.00 -0.39 -2.83 119.26 120.44 2jps h ALA 77 Ca -0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2jps h ALA 77 Cb 1.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jps h ALA 77 CO 0.14 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.30 2jps h LEU 78 N 0.56 1.08 -1.64 0.00 7.12 0.67 -2.33 115.31 120.76 2jps h LEU 78 Ca 0.09 -0.27 0.04 0.00 0.13 0.00 0.00 57.88 57.87 2jps h LEU 78 Cb 0.60 -0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 2jps h LEU 78 CO 0.04 1.07 0.30 1.56 -0.13 0.00 0.00 178.44 181.28 2jps h GLN 79 N 1.04 0.45 0.07 1.25 4.20 -1.23 -2.56 115.11 118.33 2jps h GLN 79 Ca 0.20 -0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.62 2jps h GLN 79 Cb 0.46 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jps h GLN 79 CO 0.02 0.30 -1.08 1.96 -0.67 0.00 0.00 178.83 179.35 2jps h GLN 80 N 0.46 0.60 0.00 1.46 1.08 -1.38 -3.49 115.11 113.85 2jps h GLN 80 Ca 0.18 -0.75 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2jps h GLN 80 Cb 0.16 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2jps h GLN 80 CO -0.05 1.32 0.00 0.41 -0.95 0.00 0.00 178.83 179.57 2jps n GLY 81 N 1.27 0.56 3.80 3.46 0.00 -0.91 -5.14 105.19 108.22 2jps n GLY 81 Ca -0.13 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 2.21 -0.09 1.61 2.02 -1.22 -5.02 118.70 118.21 2jps s GLU 82 Ca 0.00 -2.12 0.02 0.00 0.02 0.00 0.00 54.97 52.89 2jps s GLU 82 Cb 0.00 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 2jps s GLU 82 CO 0.00 -0.37 -0.15 -1.12 0.02 0.00 0.00 175.26 173.64 2jps s SER 83 N -4.01 3.91 -0.18 -0.19 0.01 -1.26 -4.99 113.70 106.99 2jps s SER 83 Ca 0.26 -0.30 0.14 0.00 1.31 0.00 0.00 55.95 57.35 2jps s SER 83 Cb 0.01 -1.25 -0.23 0.00 0.21 0.00 0.00 66.02 64.75 2jps s SER 83 CO 0.15 0.24 0.12 0.00 0.41 0.00 0.00 173.24 174.15 2jps n ALA 84 N 3.02 1.47 -0.24 1.44 0.00 -1.26 -4.37 120.51 120.57 2jps n ALA 84 Ca -0.18 -1.19 0.10 0.00 0.00 0.00 0.00 53.44 52.17 2jps n ALA 84 Cb 0.52 -0.28 0.37 0.00 0.00 0.00 0.00 19.45 20.06 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 0.70 -0.91 0.00 4.39 -1.95 -1.20 114.58 115.61 2jps h GLU 85 Ca -0.51 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.22 2jps h GLU 85 Cb 2.15 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.58 2jps h GLU 85 CO 0.02 0.46 0.59 -0.91 -1.16 0.00 0.00 179.01 178.02 2jps h ASN 86 N 0.72 0.90 -0.45 1.42 2.35 -2.02 -1.13 115.58 117.38 2jps h ASN 86 Ca 0.39 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.09 2jps h ASN 86 Cb 0.53 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2jps h ASN 86 CO -0.16 0.57 0.07 0.40 -1.65 0.00 0.00 177.43 176.66 2jps h ILE 87 N 1.02 1.23 -0.80 2.81 2.04 -1.45 -2.59 117.51 119.78 2jps h ILE 87 Ca 0.40 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2jps h ILE 87 Cb 0.23 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2jps h ILE 87 CO -0.16 0.33 0.52 0.58 0.00 0.00 0.00 178.15 179.43 2jps h VAL 88 N 0.78 1.13 -0.86 1.67 2.07 -1.14 -1.64 116.25 118.27 2jps h VAL 88 Ca 0.16 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2jps h VAL 88 Cb 0.37 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2jps h VAL 88 CO 0.01 0.18 0.53 -1.28 0.02 0.00 0.00 177.57 177.03 2jps h SER 89 N 0.98 0.82 0.11 0.57 0.87 -1.29 0.47 113.55 116.08 2jps h SER 89 Ca 0.32 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.76 2jps h SER 89 Cb 0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2jps h SER 89 CO -0.09 0.52 -0.48 0.50 -0.53 0.00 0.00 176.83 176.75 2jps h LYS 90 N 0.96 0.43 -0.26 2.24 3.64 -1.36 -2.32 116.57 119.90 2jps h LYS 90 Ca 0.38 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 2jps h LYS 90 Cb 0.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jps h LYS 90 CO -0.18 0.82 -0.59 0.82 -2.27 0.00 0.00 179.45 178.05 2jps h ILE 91 N 0.35 1.28 -0.63 2.00 1.08 -0.38 -1.69 117.51 119.51 2jps h ILE 91 Ca 0.02 -1.78 -0.05 0.00 -0.39 0.00 0.00 64.86 62.66 2jps h ILE 91 Cb 0.97 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 2jps h ILE 91 CO 0.08 0.58 0.18 -0.09 -0.69 0.00 0.00 178.15 178.21 2jps h ARG 92 N 0.63 0.96 -0.28 2.37 9.65 -0.04 0.50 114.38 128.18 2jps h ARG 92 Ca 0.00 -0.19 -0.19 0.00 -1.10 0.00 0.00 59.98 58.50 2jps h ARG 92 Cb 1.19 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2jps h ARG 92 CO 0.13 0.84 -0.57 1.98 2.80 0.00 0.00 179.97 185.15 2jps h MET 93 N 0.93 0.88 -0.23 0.20 4.05 -1.35 0.23 114.93 119.63 2jps h MET 93 Ca 0.21 -0.57 -0.19 0.00 -0.28 0.00 0.00 59.70 58.87 2jps h MET 93 Cb 0.28 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2jps h MET 93 CO -0.01 1.20 -0.62 1.98 0.23 0.00 0.00 176.91 179.70 2jps h MET 94 N 0.67 0.80 -0.19 0.39 1.85 -1.01 -0.79 114.93 116.65 2jps h MET 94 Ca 0.01 -0.55 -0.18 0.00 -0.61 0.00 0.00 59.70 58.37 2jps h MET 94 Cb 1.18 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.29 2jps h MET 94 CO 0.13 1.18 -0.61 -0.91 -0.40 0.00 0.00 176.91 176.29 2jps h ASN 95 N 0.60 0.73 -0.34 1.39 2.35 0.02 -2.80 115.58 117.52 2jps h ASN 95 Ca -0.01 -0.42 -0.13 0.00 -0.55 0.00 0.00 56.30 55.20 2jps h ASN 95 Cb 1.22 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2jps h ASN 95 CO 0.13 1.17 -0.26 0.00 -1.65 0.00 0.00 177.43 176.81 2jps h ALA 96 N 0.84 0.76 -0.87 -0.83 0.00 -0.51 -2.95 119.26 115.71 2jps h ALA 96 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 96 Cb 1.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jps h ALA 96 CO 0.12 0.66 0.52 0.37 0.00 0.00 0.00 179.25 180.91 2jps h GLN 97 N 0.73 1.18 -0.78 0.00 5.75 -1.08 0.66 115.11 121.58 2jps h GLN 97 Ca 0.09 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2jps h GLN 97 Cb 0.81 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 2jps h GLN 97 CO 0.07 0.83 0.51 0.66 -2.65 0.00 0.00 178.83 178.25 2jps h SER 98 N 1.20 0.79 -0.60 -0.69 4.64 -1.32 -2.63 113.55 114.94 2jps h SER 98 Ca 0.31 -0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.21 2jps h SER 98 Cb -0.04 -0.17 -0.29 0.00 -0.31 0.00 0.00 62.40 61.59 2jps h SER 98 CO -0.06 0.53 -0.38 0.18 -0.87 0.00 0.00 176.83 176.23 2jps n LEU 99 N -4.46 4.86 -2.97 5.97 4.77 -0.82 -4.75 117.00 119.60 2jps n LEU 99 Ca 0.11 -4.37 -0.14 0.00 -0.03 0.00 0.00 56.01 51.58 2jps n LEU 99 Cb 0.16 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2jps n LEU 99 CO 0.34 1.75 0.03 0.61 -1.33 0.00 0.00 177.39 178.79 2jps n GLY 100 N -0.88 2.24 3.60 -0.72 0.00 0.16 -5.00 105.19 104.58 2jps n GLY 100 Ca 0.41 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.28 2.19 -1.51 1.61 -0.21 -1.26 -4.63 119.66 114.58 2jps s GLN 101 Ca 0.32 -1.13 -0.12 0.00 0.02 0.00 0.00 55.36 54.45 2jps s GLN 101 Cb 0.33 -2.27 0.07 0.00 1.00 0.00 0.00 33.01 32.14 2jps s GLN 101 CO -0.06 0.47 0.93 0.43 -2.12 0.00 0.00 175.29 174.93 2jps n SER 102 N 0.23 -4.14 -4.66 5.90 7.64 -1.26 -4.98 113.62 112.35 2jps n SER 102 Ca -0.11 -0.80 -0.32 0.00 1.01 0.00 0.00 58.87 58.65 2jps n SER 102 Cb 0.54 -3.85 -0.07 0.00 -1.01 0.00 0.00 64.21 59.82 2jps n SER 102 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2jps s ASP 103 N -3.49 3.95 -0.56 6.43 -4.77 -1.26 -5.11 116.67 111.86 2jps s ASP 103 Ca 0.56 -1.68 0.04 0.00 -3.30 0.00 0.00 52.55 48.16 2jps s ASP 103 Cb -0.28 0.59 0.16 0.00 -1.09 0.00 0.00 42.92 42.30 2jps s ASP 103 CO 0.83 -0.90 0.38 -0.63 0.70 0.00 0.00 175.17 175.55 2jps s ILE 104 N -2.94 1.89 0.00 2.11 1.01 -1.26 -5.21 121.20 116.80 2jps s ILE 104 Ca 0.06 -3.40 0.00 0.00 0.00 0.00 0.00 60.65 57.31 2jps s ILE 104 Cb 0.01 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2jps s ILE 104 CO 0.04 -1.02 0.30 0.00 0.00 0.00 0.00 174.94 174.26