#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 1.76 -0.56 6.12 0.15 -1.26 -5.12 113.70 114.79 2jps s SER 2 Ca 0.00 -1.38 0.04 0.00 0.70 0.00 0.00 55.95 55.31 2jps s SER 2 Cb 0.00 0.05 0.15 0.00 -1.71 0.00 0.00 66.02 64.51 2jps s SER 2 CO 0.00 -0.67 0.37 -1.10 1.20 0.00 0.00 173.24 173.03 2jps s GLN 3 N -3.96 1.87 -0.21 5.44 -1.52 -1.26 -4.92 119.66 115.10 2jps s GLN 3 Ca 0.37 -2.71 -0.05 0.00 -1.95 0.00 0.00 55.36 51.02 2jps s GLN 3 Cb 0.08 -2.85 -0.20 0.00 -0.22 0.00 0.00 33.01 29.82 2jps s GLN 3 CO 0.15 -1.24 0.01 0.39 -0.25 0.00 0.00 175.29 174.35 2jps n GLU 4 N 2.68 0.68 -0.27 2.91 1.02 -1.26 -3.34 120.64 123.06 2jps n GLU 4 Ca 0.16 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 2jps n GLU 4 Cb 0.36 -1.61 0.35 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.18 0.73 -0.05 3.49 3.07 -1.99 0.39 115.11 120.57 2jps h GLN 5 Ca -0.52 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 57.98 2jps h GLN 5 Cb 1.87 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 29.26 2jps h GLN 5 CO -0.07 0.48 -0.82 1.88 0.09 0.00 0.00 178.83 180.39 2jps h TYR 6 N 0.75 0.60 -0.52 0.06 -1.99 -1.98 -2.52 116.97 111.37 2jps h TYR 6 Ca 0.43 -0.29 -0.11 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.60 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 2jps h TYR 6 CO -0.00 1.08 -0.09 1.15 -0.00 0.00 0.00 178.16 180.29 2jps h THR 7 N 0.27 1.27 -0.49 -2.88 2.02 -0.84 0.92 112.91 113.19 2jps h THR 7 Ca -0.05 -1.24 -0.13 0.00 0.77 0.00 0.00 66.41 65.76 2jps h THR 7 Cb 1.42 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2jps h THR 7 CO 0.14 0.44 -0.21 -0.33 0.37 0.00 0.00 175.52 175.93 2jps h GLU 8 N 0.86 1.00 0.08 6.66 5.08 -0.36 0.39 114.58 128.29 2jps h GLU 8 Ca 0.14 -0.43 -0.28 0.00 -1.00 0.00 0.00 59.36 57.79 2jps h GLU 8 Cb 0.65 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.89 2jps h GLU 8 CO 0.05 1.10 -1.17 -0.91 -1.00 0.00 0.00 179.01 177.08 2jps h ASN 9 N 0.86 0.82 -0.33 1.42 4.21 -1.34 -3.22 115.58 118.00 2jps h ASN 9 Ca 0.11 -0.73 -0.09 0.00 1.21 0.00 0.00 56.30 56.80 2jps h ASN 9 Cb 0.79 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 2jps h ASN 9 CO 0.07 1.54 -0.10 0.25 -1.29 0.00 0.00 177.43 177.90 2jps h LEU 10 N 0.29 0.73 -1.56 1.61 5.85 0.96 -2.62 115.31 120.57 2jps h LEU 10 Ca -0.16 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.41 2jps h LEU 10 Cb 1.84 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 2jps h LEU 10 CO 0.22 0.86 0.39 0.50 -0.34 0.00 0.00 178.44 180.07 2jps h LYS 11 N 0.68 0.51 -0.07 1.25 3.64 -0.24 0.23 116.57 122.58 2jps h LYS 11 Ca 0.12 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2jps h LYS 11 Cb 0.56 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2jps h LYS 11 CO 0.03 0.34 -0.23 0.28 -2.27 0.00 0.00 179.45 177.60 2jps h VAL 12 N 0.53 1.43 -0.36 2.00 2.07 -1.49 -2.39 116.25 118.04 2jps h VAL 12 Ca 0.25 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 2jps h VAL 12 Cb 0.32 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2jps h VAL 12 CO -0.07 0.46 -0.03 0.40 0.02 0.00 0.00 177.57 178.35 2jps h ILE 13 N -0.22 1.21 -0.56 4.57 2.04 -1.20 -2.49 117.51 120.87 2jps h ILE 13 Ca -0.01 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2jps h ILE 13 Cb 0.86 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2jps h ILE 13 CO 0.05 0.30 0.05 0.58 0.00 0.00 0.00 178.15 179.13 2jps h VAL 14 N 0.55 1.26 -0.44 1.67 2.07 -0.54 -2.63 116.25 118.18 2jps h VAL 14 Ca 0.11 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2jps h VAL 14 Cb 0.39 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2jps h VAL 14 CO 0.02 0.37 0.19 0.00 0.02 0.00 0.00 177.57 178.17 2jps h ALA 15 N 0.98 1.51 -0.94 1.67 0.00 -1.04 -2.25 119.26 119.18 2jps h ALA 15 Ca 0.16 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.15 2jps h ALA 15 Cb 0.47 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2jps h ALA 15 CO 0.02 0.39 0.60 1.49 0.00 0.00 0.00 179.25 181.75 2jps h GLU 16 N 0.62 0.60 0.07 0.00 4.81 -1.06 0.75 114.58 120.37 2jps h GLU 16 Ca 0.15 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2jps h GLU 16 Cb 0.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2jps h GLU 16 CO -0.02 0.40 -0.74 -0.22 -0.73 0.00 0.00 179.01 177.70 2jps h LYS 17 N 0.62 0.14 -0.23 1.92 1.63 -1.47 -2.74 116.57 116.43 2jps h LYS 17 Ca 0.50 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2jps h LYS 17 Cb 0.95 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2jps h LYS 17 CO -0.25 1.12 0.15 -0.07 -3.45 0.00 0.00 179.45 176.94 2jps h LEU 18 N -0.66 0.28 -1.72 5.20 3.38 -0.95 -0.13 115.31 120.71 2jps h LEU 18 Ca -0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2jps h LEU 18 Cb 1.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2jps h LEU 18 CO 0.03 0.23 -0.18 0.00 0.09 0.00 0.00 178.44 178.61 2jps h ALA 19 N 1.06 1.36 0.05 1.53 0.00 0.35 -2.86 119.26 120.75 2jps h ALA 19 Ca 0.08 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jps h ALA 19 CO -0.02 0.22 -1.20 0.78 0.00 0.00 0.00 179.25 179.03 2jps h GLY 20 N 0.91 0.12 -4.34 0.00 0.00 -1.04 -3.47 103.07 95.26 2jps h GLY 20 Ca -0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 47.33 46.42 2jps h GLY 20 CO 0.02 0.27 0.10 1.39 0.00 0.00 0.00 176.54 178.32 2jps n ILE 21 N -3.38 2.05 -2.26 2.60 5.41 -0.13 -4.93 119.36 118.71 2jps n ILE 21 Ca -0.06 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.86 2jps n ILE 21 Cb 0.99 -0.99 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2jps n ILE 21 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jps s PRO 22 N -1.62 3.52 -1.51 0.38 0.04 -1.26 -3.33 135.00 131.22 2jps s PRO 22 Ca 0.60 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2jps s PRO 22 Cb -0.67 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2jps s PRO 22 CO 0.59 -0.66 0.00 -1.71 0.04 0.00 0.00 177.00 175.27 2jps n ASN 23 N -1.55 -4.64 -3.09 6.66 2.85 -1.26 -4.88 115.26 109.34 2jps n ASN 23 Ca 0.09 0.20 -0.31 0.00 -0.11 0.00 0.00 54.58 54.46 2jps n ASN 23 Cb 0.53 -4.00 -0.02 0.00 1.24 0.00 0.00 39.78 37.52 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2jps n PHE 24 N -3.13 3.70 -1.49 1.20 7.35 -1.21 -4.82 117.46 119.07 2jps n PHE 24 Ca -0.18 -3.58 -0.28 0.00 -0.76 0.00 0.00 57.45 52.65 2jps n PHE 24 Cb 0.61 -0.66 0.09 0.00 0.35 0.00 0.00 39.48 39.87 2jps n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2jps n ASN 25 N -0.22 6.11 -3.71 -2.13 5.15 -1.26 -4.81 115.26 114.39 2jps n ASN 25 Ca 0.36 -3.76 -0.14 0.00 -0.60 0.00 0.00 54.58 50.44 2jps n ASN 25 Cb 0.37 -0.79 -0.14 0.00 -0.53 0.00 0.00 39.78 38.69 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 -3.66 0.14 -1.15 1.20 8.01 -1.26 -4.92 118.70 117.05 2jps s GLU 26 Ca 0.59 0.52 -0.16 0.00 0.01 0.00 0.00 54.97 55.94 2jps s GLU 26 Cb 0.47 -0.15 -0.02 0.00 -4.31 0.00 0.00 34.13 30.13 2jps s GLU 26 CO 0.02 -0.20 0.80 -0.25 0.01 0.00 0.00 175.26 175.63 2jps n ASP 27 N 4.56 -5.02 -0.11 -0.19 9.92 -1.26 -4.93 116.55 119.52 2jps n ASP 27 Ca -0.20 -0.94 -0.18 0.00 -0.53 0.00 0.00 54.79 52.94 2jps n ASP 27 Cb 0.52 -3.76 -0.12 0.00 -0.64 0.00 0.00 41.12 37.11 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 -4.03 1.51 0.07 0.53 0.00 -1.26 -3.44 119.36 112.74 2jps n ILE 28 Ca -0.11 -0.60 -0.16 0.00 0.00 0.00 0.00 62.75 61.88 2jps n ILE 28 Cb 0.61 -1.38 -0.08 0.00 0.00 0.00 0.00 39.64 38.79 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 0.01 0.45 -0.01 9.51 1.57 -1.98 -3.03 116.57 123.08 2jps h LYS 29 Ca -0.56 -0.53 -0.14 0.00 -1.87 0.00 0.00 60.65 57.54 2jps h LYS 29 Cb 1.94 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.39 2jps h LYS 29 CO -0.06 1.18 -0.67 1.88 -0.57 0.00 0.00 179.45 181.21 2jps h TYR 30 N 0.23 0.08 0.00 -1.35 0.05 -1.98 -3.09 116.97 110.92 2jps h TYR 30 Ca -0.11 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.54 2jps h TYR 30 Cb 1.70 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.41 2jps h TYR 30 CO 0.07 0.71 -0.45 -0.24 -1.05 0.00 0.00 178.16 177.20 2jps h VAL 31 N 0.04 1.07 -0.18 -2.88 3.04 -1.58 -3.09 116.25 112.67 2jps h VAL 31 Ca -0.01 -1.68 -0.21 0.00 -1.01 0.00 0.00 66.70 63.80 2jps h VAL 31 Cb 1.18 1.97 0.01 0.00 -2.01 0.00 0.00 31.29 32.44 2jps h VAL 31 CO 0.09 0.44 -0.71 0.00 -1.01 0.00 0.00 177.57 176.38 2jps h ALA 32 N 1.55 0.40 -0.82 3.17 0.00 -1.45 -2.41 119.26 119.71 2jps h ALA 32 Ca -0.00 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.39 2jps h ALA 32 Cb 0.94 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2jps h ALA 32 CO 0.06 0.69 0.50 0.93 0.00 0.00 0.00 179.25 181.43 2jps h GLU 33 N 0.53 0.89 -0.52 0.00 5.08 -1.49 0.26 114.58 119.34 2jps h GLU 33 Ca -0.03 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2jps h GLU 33 Cb 1.32 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2jps h GLU 33 CO 0.14 0.59 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.73 2jps h TYR 34 N 0.92 1.09 -0.40 4.33 3.20 -1.51 0.57 116.97 125.17 2jps h TYR 34 Ca 0.36 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2jps h TYR 34 Cb 0.18 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2jps h TYR 34 CO -0.04 1.02 0.23 0.82 -1.64 0.00 0.00 178.16 178.55 2jps h ILE 35 N 0.84 1.14 -0.71 1.81 2.04 -0.72 -0.11 117.51 121.80 2jps h ILE 35 Ca 0.13 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2jps h ILE 35 Cb 0.65 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2jps h ILE 35 CO 0.04 0.14 0.28 0.58 0.00 0.00 0.00 178.15 179.20 2jps h VAL 36 N 0.52 1.25 -0.70 1.67 2.07 -0.33 -0.48 116.25 120.24 2jps h VAL 36 Ca 0.14 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2jps h VAL 36 Cb 0.02 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2jps h VAL 36 CO -0.03 0.31 0.42 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 1.02 0.67 -0.66 2.57 5.85 -0.26 0.28 115.31 124.78 2jps h LEU 37 Ca 0.24 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 2jps h LEU 37 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2jps h LEU 37 CO -0.02 0.45 0.23 -0.07 -0.34 0.00 0.00 178.44 178.69 2jps h LEU 38 N 0.81 0.94 -0.32 2.25 3.38 -0.49 -1.52 115.31 120.35 2jps h LEU 38 Ca 0.30 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jps h LEU 38 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jps h LEU 38 CO -0.14 0.88 0.19 0.40 0.09 0.00 0.00 178.44 179.86 2jps h ILE 39 N 0.95 1.12 -0.46 1.22 1.08 0.22 -2.18 117.51 119.46 2jps h ILE 39 Ca 0.22 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2jps h ILE 39 Cb 0.26 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2jps h ILE 39 CO -0.01 0.12 0.27 0.58 -0.69 0.00 0.00 178.15 178.41 2jps h VAL 40 N 0.40 1.13 -0.79 1.67 2.07 -0.21 -2.18 116.25 118.35 2jps h VAL 40 Ca 0.11 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 40 Cb 0.03 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2jps h VAL 40 CO -0.02 0.14 0.52 0.78 0.02 0.00 0.00 177.57 179.01 2jps h ASN 41 N 0.63 0.81 0.00 0.57 2.35 -0.62 -3.45 115.58 115.86 2jps h ASN 41 Ca 0.16 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2jps h ASN 41 Cb -0.01 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2jps h ASN 41 CO -0.03 0.54 0.00 0.61 -1.65 0.00 0.00 177.43 176.90 2jps n GLY 42 N -1.42 -1.53 0.00 2.83 0.00 -0.82 -5.08 105.19 99.17 2jps n GLY 42 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.17 0.62 3.07 -0.02 0.00 -1.20 -4.98 105.19 101.52 2jps n GLY 43 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.16 2.73 0.45 2.61 -4.23 -1.26 -4.98 115.64 110.80 2jps s THR 44 Ca 0.00 -2.12 0.24 0.00 -1.18 0.00 0.00 61.69 58.63 2jps s THR 44 Cb 0.00 -2.90 0.44 0.00 1.34 0.00 0.00 72.50 71.38 2jps s THR 44 CO 0.00 -0.57 1.80 0.58 -0.54 0.00 0.00 174.62 175.89 2jps h VAL 45 N 6.51 0.51 0.24 2.29 2.07 -1.96 0.91 116.25 126.82 2jps h VAL 45 Ca -0.10 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2jps h VAL 45 Cb 1.04 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2jps h VAL 45 CO 0.59 0.05 -0.11 -0.08 0.02 0.00 0.00 177.57 178.03 2jps h GLU 46 N 0.26 -0.30 -0.02 1.57 4.57 -1.98 0.38 114.58 119.06 2jps h GLU 46 Ca 0.56 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.64 2jps h GLU 46 Cb 1.68 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.32 2jps h GLU 46 CO -0.18 0.06 -0.56 1.03 -1.18 0.00 0.00 179.01 178.18 2jps h SER 47 N -0.79 0.06 -0.09 1.04 0.87 -1.80 -1.46 113.55 111.38 2jps h SER 47 Ca -0.03 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 2jps h SER 47 Cb 0.51 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jps h SER 47 CO 0.05 0.60 -0.82 0.58 -0.53 0.00 0.00 176.83 176.71 2jps h VAL 48 N 0.04 1.29 -0.23 2.23 2.07 0.82 -2.90 116.25 119.57 2jps h VAL 48 Ca -0.00 -2.04 -0.17 0.00 0.82 0.00 0.00 66.70 65.31 2jps h VAL 48 Cb 0.99 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2jps h VAL 48 CO 0.08 0.64 -0.55 0.58 0.02 0.00 0.00 177.57 178.33 2jps h VAL 49 N 0.50 1.30 -0.56 2.57 2.07 -0.16 -2.95 116.25 119.02 2jps h VAL 49 Ca -0.06 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.72 2jps h VAL 49 Cb 1.45 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2jps h VAL 49 CO 0.17 0.56 0.37 -0.78 0.02 0.00 0.00 177.57 177.91 2jps h ASP 50 N 0.54 0.53 -0.65 0.57 1.82 -1.27 -0.80 116.42 117.15 2jps h ASP 50 Ca 0.01 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.56 2jps h ASP 50 Cb 1.12 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 2jps h ASP 50 CO 0.11 0.36 0.07 -0.33 -1.61 0.00 0.00 179.24 177.84 2jps h GLU 51 N 0.61 1.11 -0.18 0.28 3.07 -1.33 -0.13 114.58 118.00 2jps h GLU 51 Ca 0.23 -0.32 -0.16 0.00 -0.50 0.00 0.00 59.36 58.61 2jps h GLU 51 Cb 0.14 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2jps h GLU 51 CO -0.06 1.03 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.99 2jps h LEU 52 N 1.03 0.76 -1.16 1.33 -0.00 -1.35 -3.10 115.31 112.82 2jps h LEU 52 Ca 0.19 -0.59 -0.01 0.00 -0.00 0.00 0.00 57.88 57.47 2jps h LEU 52 Cb 0.49 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2jps h LEU 52 CO 0.02 1.21 0.37 0.00 -0.00 0.00 0.00 178.44 180.04 2jps h ALA 53 N 0.57 1.36 -0.56 1.53 0.00 -1.03 1.08 119.26 122.20 2jps h ALA 53 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jps h ALA 53 Cb 1.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 53 CO 0.11 0.52 0.38 0.66 0.00 0.00 0.00 179.25 180.92 2jps h SER 54 N 0.96 0.47 0.00 0.00 4.64 -0.94 -2.93 113.55 115.75 2jps h SER 54 Ca 0.24 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.16 2jps h SER 54 Cb 0.04 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 61.96 2jps h SER 54 CO -0.04 0.31 -2.47 0.18 -0.87 0.00 0.00 176.83 173.94 2jps n LEU 55 N -4.47 2.69 -4.07 5.97 4.77 -0.77 -4.70 117.00 116.41 2jps n LEU 55 Ca 0.08 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 2jps n LEU 55 Cb 0.23 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 2jps n LEU 55 CO 0.34 0.83 0.66 0.49 -1.33 0.00 0.00 177.39 178.39 2jps n PHE 56 N -3.51 3.94 -1.06 -1.77 3.72 0.37 -4.84 117.46 114.30 2jps n PHE 56 Ca -0.47 -3.65 -0.14 0.00 -0.05 0.00 0.00 57.45 53.13 2jps n PHE 56 Cb 0.95 -1.27 0.24 0.00 -0.94 0.00 0.00 39.48 38.46 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 1.98 4.30 -0.08 4.37 5.68 -1.11 -4.37 116.55 127.32 2jps n ASP 57 Ca 0.24 -3.36 -0.14 0.00 -0.50 0.00 0.00 54.79 51.03 2jps n ASP 57 Cb 0.37 -0.79 -0.14 0.00 -1.14 0.00 0.00 41.12 39.42 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2jps n SER 58 N -0.58 1.11 -4.91 -1.12 2.88 -1.26 -4.95 113.62 104.78 2jps n SER 58 Ca 0.49 0.07 -0.28 0.00 -1.33 0.00 0.00 58.87 57.82 2jps n SER 58 Cb 1.50 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 65.01 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jps s VAL 59 N -2.53 5.05 0.43 2.46 0.11 -1.26 -5.04 120.40 119.62 2jps s VAL 59 Ca -0.18 -0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 58.59 2jps s VAL 59 Cb 0.07 -3.75 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2jps s VAL 59 CO 0.75 -0.34 1.05 -1.20 -3.33 0.00 0.00 175.10 172.03 2jps n SER 60 N -1.01 1.44 -0.16 3.54 7.64 -1.26 -4.84 113.62 118.96 2jps n SER 60 Ca -0.02 1.03 0.20 0.00 1.01 0.00 0.00 58.87 61.09 2jps n SER 60 Cb 0.54 -1.38 0.59 0.00 -1.01 0.00 0.00 64.21 62.95 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 1.55 0.24 -0.88 1.43 3.08 -1.96 -0.78 114.38 117.06 2jps h ARG 61 Ca -0.45 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.68 2jps h ARG 61 Cb 1.33 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 2jps h ARG 61 CO 0.57 0.16 0.57 -0.44 -1.07 0.00 0.00 179.97 179.76 2jps h ASP 62 N 0.25 0.78 -0.45 7.04 3.32 -1.98 0.27 116.42 125.64 2jps h ASP 62 Ca 0.39 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2jps h ASP 62 Cb 1.16 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2jps h ASP 62 CO -0.09 0.45 -0.00 0.74 -1.72 0.00 0.00 179.24 178.61 2jps h THR 63 N 0.86 1.26 -0.26 0.35 2.02 -1.47 0.30 112.91 115.96 2jps h THR 63 Ca 0.41 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 2jps h THR 63 Cb 0.44 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jps h THR 63 CO -0.18 0.36 -0.23 -0.07 0.37 0.00 0.00 175.52 175.77 2jps h LEU 64 N 0.65 0.66 -1.33 2.58 4.07 -1.32 -2.96 115.31 117.67 2jps h LEU 64 Ca 0.13 -0.46 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 2jps h LEU 64 Cb 0.50 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 2jps h LEU 64 CO 0.02 0.99 0.26 0.00 -1.08 0.00 0.00 178.44 178.63 2jps h ALA 65 N 0.70 1.49 -0.80 1.53 0.00 -0.40 -2.25 119.26 119.52 2jps h ALA 65 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jps h ALA 65 Cb 0.79 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2jps h ALA 65 CO 0.06 0.42 0.53 -0.91 0.00 0.00 0.00 179.25 179.35 2jps h ASN 66 N 0.72 0.89 -0.09 0.00 4.21 -0.76 0.20 115.58 120.75 2jps h ASN 66 Ca 0.18 -0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.48 2jps h ASN 66 Cb 0.06 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 2jps h ASN 66 CO -0.03 0.63 -0.66 0.58 -1.29 0.00 0.00 177.43 176.67 2jps h VAL 67 N 1.04 1.30 -0.19 2.81 2.07 -1.35 -2.58 116.25 119.35 2jps h VAL 67 Ca 0.31 -1.89 -0.14 0.00 0.82 0.00 0.00 66.70 65.79 2jps h VAL 67 Cb -0.05 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2jps h VAL 67 CO -0.08 0.60 -0.47 0.58 0.02 0.00 0.00 177.57 178.22 2jps h VAL 68 N 0.51 1.32 -0.71 2.57 2.07 -1.11 -2.66 116.25 118.23 2jps h VAL 68 Ca -0.02 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 2jps h VAL 68 Cb 1.25 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2jps h VAL 68 CO 0.13 0.52 0.21 -0.61 0.02 0.00 0.00 177.57 177.85 2jps h GLN 69 N 0.40 1.12 0.00 1.57 4.15 -0.56 -2.26 115.11 119.53 2jps h GLN 69 Ca 0.02 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 2jps h GLN 69 Cb 0.97 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2jps h GLN 69 CO 0.09 0.96 -0.47 0.00 -1.93 0.00 0.00 178.83 177.48 2jps h THR 70 N 1.06 1.32 -0.14 2.39 1.03 -1.37 -2.65 112.91 114.54 2jps h THR 70 Ca 0.23 -1.60 -0.14 0.00 -0.01 0.00 0.00 66.41 64.89 2jps h THR 70 Cb 0.32 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 2jps h THR 70 CO -0.01 0.46 -0.50 0.00 -0.01 0.00 0.00 175.52 175.46 2jps h ALA 71 N 1.53 0.87 -0.04 0.00 0.00 -1.10 -0.74 119.26 119.79 2jps h ALA 71 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2jps h ALA 71 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 71 CO 0.06 0.67 -0.01 0.74 0.00 0.00 0.00 179.25 180.71 2jps h PHE 72 N 0.31 0.09 -0.89 0.00 -1.00 -1.18 -2.11 116.94 112.16 2jps h PHE 72 Ca 0.01 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2jps h PHE 72 Cb 0.99 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.49 2jps h PHE 72 CO 0.03 0.44 0.50 0.74 -1.61 0.00 0.00 178.31 178.41 2jps h PHE 73 N -0.29 1.21 -0.90 -0.55 0.04 -1.45 -2.15 116.94 112.85 2jps h PHE 73 Ca 0.01 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 2jps h PHE 73 Cb 0.41 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 2jps h PHE 73 CO 0.06 0.83 0.59 0.00 -0.60 0.00 0.00 178.31 179.19 2jps h ALA 74 N 1.31 1.43 -0.97 2.45 0.00 -1.00 -1.74 119.26 120.74 2jps h ALA 74 Ca 0.32 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2jps h ALA 74 Cb 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.41 2jps h ALA 74 CO -0.05 0.49 0.62 -0.07 0.00 0.00 0.00 179.25 180.23 2jps h LEU 75 N 1.13 0.98 -0.31 0.00 -0.00 -0.69 0.36 115.31 116.79 2jps h LEU 75 Ca 0.36 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 58.09 2jps h LEU 75 Cb 0.01 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2jps h LEU 75 CO -0.11 0.62 -0.44 -0.33 -0.00 0.00 0.00 178.44 178.18 2jps h GLU 76 N 1.11 0.84 -0.46 1.13 5.08 -1.31 -2.42 114.58 118.56 2jps h GLU 76 Ca 0.43 -0.49 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2jps h GLU 76 Cb 0.20 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2jps h GLU 76 CO -0.18 1.13 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 2jps h ALA 77 N 0.70 1.00 -0.65 3.43 0.00 -0.56 -2.84 119.26 120.34 2jps h ALA 77 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 77 Cb 1.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 77 CO 0.10 0.60 0.09 -0.07 0.00 0.00 0.00 179.25 179.98 2jps h LEU 78 N 0.74 1.04 -1.66 0.00 3.38 -0.24 -1.74 115.31 116.83 2jps h LEU 78 Ca 0.13 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2jps h LEU 78 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2jps h LEU 78 CO 0.03 1.04 0.27 1.56 0.09 0.00 0.00 178.44 181.44 2jps h GLN 79 N 1.00 0.43 0.00 1.13 4.20 -1.20 -3.09 115.11 117.59 2jps h GLN 79 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2jps h GLN 79 Cb 0.45 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2jps h GLN 79 CO 0.01 0.29 -0.01 0.37 -0.67 0.00 0.00 178.83 178.82 2jps h GLN 80 N 0.45 0.00 0.00 1.46 5.75 -1.33 -3.49 115.11 117.95 2jps h GLN 80 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2jps h GLN 80 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2jps h GLN 80 CO -0.04 0.69 0.00 0.41 -2.65 0.00 0.00 178.83 177.24 2jps n GLY 81 N 1.66 -0.20 3.68 2.39 0.00 -0.69 -5.14 105.19 106.89 2jps n GLY 81 Ca -0.07 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 2.07 -0.06 1.61 0.41 -1.20 -5.01 118.70 116.52 2jps s GLU 82 Ca 0.00 -2.25 0.03 0.00 -0.41 0.00 0.00 54.97 52.33 2jps s GLU 82 Cb 0.00 -1.54 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 2jps s GLU 82 CO 0.00 -0.22 -0.13 -1.12 -0.49 0.00 0.00 175.26 173.30 2jps s SER 83 N -3.79 4.13 -0.20 -0.19 0.01 -1.26 -4.95 113.70 107.45 2jps s SER 83 Ca 0.20 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.36 2jps s SER 83 Cb 0.06 -0.96 -0.22 0.00 0.21 0.00 0.00 66.02 65.11 2jps s SER 83 CO 0.10 0.33 0.03 0.00 0.41 0.00 0.00 173.24 174.12 2jps n ALA 84 N 2.40 1.40 -0.27 1.44 0.00 -1.26 -4.38 120.51 119.84 2jps n ALA 84 Ca -0.17 -1.09 0.03 0.00 0.00 0.00 0.00 53.44 52.21 2jps n ALA 84 Cb 0.52 -0.27 0.26 0.00 0.00 0.00 0.00 19.45 19.96 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 0.01 0.96 -0.86 0.00 4.22 -1.95 -1.79 114.58 115.17 2jps h GLU 85 Ca -0.52 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 58.94 2jps h GLU 85 Cb 2.05 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 31.03 2jps h GLU 85 CO -0.01 0.64 0.56 -0.97 -2.18 0.00 0.00 179.01 177.05 2jps h ASN 86 N 0.99 0.81 -0.42 1.04 -1.24 -2.01 -1.11 115.58 113.64 2jps h ASN 86 Ca 0.35 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.31 2jps h ASN 86 Cb 0.12 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 2jps h ASN 86 CO -0.12 0.50 0.07 0.40 -1.29 0.00 0.00 177.43 177.00 2jps h ILE 87 N 0.91 1.23 -0.80 2.57 2.04 -1.54 -2.61 117.51 119.31 2jps h ILE 87 Ca 0.38 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2jps h ILE 87 Cb 0.29 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2jps h ILE 87 CO -0.15 0.31 0.53 0.58 0.00 0.00 0.00 178.15 179.43 2jps h VAL 88 N 0.73 1.18 -0.87 1.67 2.07 -1.15 -1.96 116.25 117.92 2jps h VAL 88 Ca 0.16 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jps h VAL 88 Cb 0.35 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 2jps h VAL 88 CO 0.01 0.19 0.53 0.77 0.02 0.00 0.00 177.57 179.09 2jps h SER 89 N 1.05 0.82 0.05 0.57 4.64 -1.35 0.98 113.55 120.31 2jps h SER 89 Ca 0.30 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 2jps h SER 89 Cb -0.06 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2jps h SER 89 CO -0.08 0.51 -0.33 0.50 -0.87 0.00 0.00 176.83 176.57 2jps h LYS 90 N 0.95 0.39 -0.24 4.77 3.11 -1.40 -1.61 116.57 122.53 2jps h LYS 90 Ca 0.39 -0.17 -0.19 0.00 -2.81 0.00 0.00 60.65 57.87 2jps h LYS 90 Cb 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2jps h LYS 90 CO -0.19 0.68 -0.60 0.82 -2.81 0.00 0.00 179.45 177.34 2jps h ILE 91 N 0.34 1.28 -0.33 2.00 1.08 -0.72 0.57 117.51 121.74 2jps h ILE 91 Ca 0.04 -1.80 -0.14 0.00 -0.39 0.00 0.00 64.86 62.57 2jps h ILE 91 Cb 0.74 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 2jps h ILE 91 CO 0.06 0.58 -0.36 0.03 -0.69 0.00 0.00 178.15 177.77 2jps h ARG 92 N 0.60 0.75 -0.02 2.37 3.08 -0.73 0.51 114.38 120.93 2jps h ARG 92 Ca -0.00 -0.37 -0.25 0.00 0.07 0.00 0.00 59.98 59.43 2jps h ARG 92 Cb 1.21 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.27 2jps h ARG 92 CO 0.13 0.99 -0.97 1.98 -1.07 0.00 0.00 179.97 181.03 2jps h MET 93 N 0.62 0.61 -0.03 0.04 4.05 -1.27 -1.13 114.93 117.82 2jps h MET 93 Ca 0.06 -0.63 -0.21 0.00 -0.28 0.00 0.00 59.70 58.64 2jps h MET 93 Cb 0.90 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2jps h MET 93 CO 0.08 1.24 -0.85 1.98 0.23 0.00 0.00 176.91 179.59 2jps h MET 94 N 0.36 0.39 -0.04 0.39 1.85 -0.82 -2.26 114.93 114.80 2jps h MET 94 Ca -0.10 -0.38 -0.17 0.00 -0.61 0.00 0.00 59.70 58.44 2jps h MET 94 Cb 1.61 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.72 2jps h MET 94 CO 0.18 1.04 -0.72 -0.91 -0.40 0.00 0.00 176.91 176.10 2jps h ASN 95 N 0.24 0.29 -0.03 1.39 4.21 -0.01 -1.27 115.58 120.41 2jps h ASN 95 Ca -0.06 -0.20 -0.19 0.00 1.21 0.00 0.00 56.30 57.06 2jps h ASN 95 Cb 1.46 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 2jps h ASN 95 CO 0.14 0.92 -0.68 0.00 -1.29 0.00 0.00 177.43 176.52 2jps h ALA 96 N 1.08 0.49 -0.15 -0.83 0.00 -1.19 -1.60 119.26 117.05 2jps h ALA 96 Ca -0.02 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2jps h ALA 96 Cb 1.28 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jps h ALA 96 CO 0.11 0.71 -0.75 0.37 0.00 0.00 0.00 179.25 179.69 2jps h GLN 97 N 0.47 0.72 -0.06 0.00 4.15 -1.39 -1.59 115.11 117.41 2jps h GLN 97 Ca -0.02 -0.57 -0.10 0.00 0.77 0.00 0.00 58.65 58.73 2jps h GLN 97 Cb 1.28 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 2jps h GLN 97 CO 0.13 1.19 -0.41 1.03 -1.93 0.00 0.00 178.83 178.83 2jps h SER 98 N 0.50 0.13 0.43 -0.69 0.87 -1.23 -3.15 113.55 110.41 2jps h SER 98 Ca -0.04 -0.05 -0.31 0.00 -1.23 0.00 0.00 61.79 60.16 2jps h SER 98 Cb 1.36 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 63.31 2jps h SER 98 CO 0.15 0.53 -1.40 0.25 -0.53 0.00 0.00 176.83 175.83 2jps h LEU 99 N 0.10 0.63 0.00 2.23 6.46 -1.24 -3.50 115.31 119.99 2jps h LEU 99 Ca 0.01 -0.69 0.00 0.00 -0.12 0.00 0.00 57.88 57.08 2jps h LEU 99 Cb 0.78 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2jps h LEU 99 CO 0.06 1.55 0.00 0.61 -0.62 0.00 0.00 178.44 180.03 2jps n GLY 100 N 1.64 2.39 3.54 3.75 0.00 -0.60 -5.08 105.19 110.83 2jps n GLY 100 Ca -0.14 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.09 3.67 -1.51 1.61 -0.21 -1.24 -4.55 119.66 114.34 2jps s GLN 101 Ca 0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.77 2jps s GLN 101 Cb 0.00 -2.96 0.08 0.00 1.00 0.00 0.00 33.01 31.14 2jps s GLN 101 CO 0.00 0.29 0.88 0.43 -2.12 0.00 0.00 175.29 174.77 2jps n SER 102 N 3.41 -4.70 -2.77 5.90 7.64 -1.26 -4.87 113.62 116.97 2jps n SER 102 Ca -0.17 -0.70 -0.02 0.00 1.01 0.00 0.00 58.87 58.99 2jps n SER 102 Cb 0.52 -3.77 0.07 0.00 -1.01 0.00 0.00 64.21 60.02 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jps n ASP 103 N -2.72 0.76 -4.05 6.43 2.03 -1.26 -5.11 116.55 112.63 2jps n ASP 103 Ca 0.03 -2.20 -0.08 0.00 0.52 0.00 0.00 54.79 53.05 2jps n ASP 103 Cb 0.53 -0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 40.65 2jps n ASP 103 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2jps s ILE 104 N -2.70 0.23 -0.29 5.18 1.10 -1.26 -5.05 121.20 118.41 2jps s ILE 104 Ca 0.23 -1.40 0.02 0.00 -0.51 0.00 0.00 60.65 58.99 2jps s ILE 104 Cb 0.37 -0.95 0.02 0.00 0.15 0.00 0.00 42.46 42.05 2jps s ILE 104 CO -0.05 -0.74 0.57 0.00 -2.11 0.00 0.00 174.94 172.61