#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 4.31 -0.51 7.83 0.15 -1.26 -5.09 113.70 119.13 2jps s SER 2 Ca 0.00 -1.33 0.07 0.00 0.70 0.00 0.00 55.95 55.39 2jps s SER 2 Cb 0.00 0.03 0.26 0.00 -1.71 0.00 0.00 66.02 64.60 2jps s SER 2 CO 0.00 -0.75 0.66 0.00 1.20 0.00 0.00 173.24 174.35 2jps n GLN 3 N -1.33 1.67 -0.04 5.44 1.13 -1.26 -4.89 117.38 118.09 2jps n GLN 3 Ca -0.07 -3.96 -0.19 0.00 -1.94 0.00 0.00 57.00 50.84 2jps n GLN 3 Cb 0.66 -1.75 -0.13 0.00 0.11 0.00 0.00 30.24 29.12 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jps n GLU 4 N 1.00 0.72 -0.27 -1.09 2.13 -1.26 -3.43 120.64 118.44 2jps n GLU 4 Ca 0.26 0.22 0.13 0.00 0.66 0.00 0.00 57.16 58.42 2jps n GLU 4 Cb 0.48 -1.64 0.39 0.00 0.27 0.00 0.00 31.44 30.93 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2jps h GLN 5 N 0.04 0.65 -0.15 5.31 3.07 -2.00 0.35 115.11 122.38 2jps h GLN 5 Ca -0.48 -0.04 -0.19 0.00 0.09 0.00 0.00 58.65 58.03 2jps h GLN 5 Cb 1.99 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 29.42 2jps h GLN 5 CO 0.03 0.43 -0.67 1.88 0.09 0.00 0.00 178.83 180.59 2jps h TYR 6 N 0.67 0.96 -0.83 0.06 -1.99 -1.97 -2.54 116.97 111.34 2jps h TYR 6 Ca 0.46 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2jps h TYR 6 Cb 0.77 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.31 2jps h TYR 6 CO -0.00 1.23 0.53 1.15 -0.00 0.00 0.00 178.16 181.07 2jps h THR 7 N 0.42 1.22 -0.56 -2.88 2.02 -0.89 0.87 112.91 113.11 2jps h THR 7 Ca -0.04 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2jps h THR 7 Cb 1.30 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2jps h THR 7 CO 0.14 0.22 0.00 -0.08 0.37 0.00 0.00 175.52 176.17 2jps h GLU 8 N 1.13 0.99 -0.10 6.66 4.81 -0.41 0.23 114.58 127.88 2jps h GLU 8 Ca 0.30 -0.31 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 8 Cb -0.10 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.20 2jps h GLU 8 CO -0.06 0.99 -0.75 -0.91 -0.73 0.00 0.00 179.01 177.54 2jps h ASN 9 N 0.88 0.84 -0.35 1.04 4.21 -1.00 -3.13 115.58 118.06 2jps h ASN 9 Ca 0.16 -0.66 -0.05 0.00 1.21 0.00 0.00 56.30 56.96 2jps h ASN 9 Cb 0.54 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 2jps h ASN 9 CO 0.03 1.37 0.06 0.25 -1.29 0.00 0.00 177.43 177.85 2jps h LEU 10 N 0.37 0.63 -1.33 1.61 6.46 0.89 -2.45 115.31 121.49 2jps h LEU 10 Ca -0.06 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2jps h LEU 10 Cb 1.40 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 2jps h LEU 10 CO 0.15 0.66 0.48 0.50 -0.62 0.00 0.00 178.44 179.62 2jps h LYS 11 N 0.64 0.84 -0.12 1.25 3.64 -0.49 0.18 116.57 122.51 2jps h LYS 11 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2jps h LYS 11 Cb 0.32 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jps h LYS 11 CO 0.01 0.55 -0.05 0.28 -2.27 0.00 0.00 179.45 177.97 2jps h VAL 12 N 0.86 1.31 -0.49 2.00 2.07 -1.42 -1.86 116.25 118.72 2jps h VAL 12 Ca 0.30 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2jps h VAL 12 Cb 0.11 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2jps h VAL 12 CO -0.09 0.30 0.16 0.40 0.02 0.00 0.00 177.57 178.37 2jps h ILE 13 N -0.09 1.19 -0.47 4.57 2.04 -1.29 -2.40 117.51 121.06 2jps h ILE 13 Ca 0.03 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2jps h ILE 13 Cb 0.50 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2jps h ILE 13 CO 0.02 0.25 -0.01 0.58 0.00 0.00 0.00 178.15 178.98 2jps h VAL 14 N 0.70 1.26 -0.52 1.67 2.07 -0.86 -2.74 116.25 117.84 2jps h VAL 14 Ca 0.16 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2jps h VAL 14 Cb 0.19 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2jps h VAL 14 CO -0.01 0.37 0.33 0.00 0.02 0.00 0.00 177.57 178.28 2jps h ALA 15 N 0.92 1.60 -0.87 1.67 0.00 -0.88 -2.02 119.26 119.67 2jps h ALA 15 Ca 0.13 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2jps h ALA 15 Cb 0.52 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2jps h ALA 15 CO 0.03 0.36 0.56 1.49 0.00 0.00 0.00 179.25 181.69 2jps h GLU 16 N 0.71 0.72 0.05 0.00 4.81 -1.12 0.56 114.58 120.31 2jps h GLU 16 Ca 0.19 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 2jps h GLU 16 Cb -0.06 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 2jps h GLU 16 CO -0.04 0.47 -0.66 -0.22 -0.73 0.00 0.00 179.01 177.83 2jps h LYS 17 N 0.74 0.11 -0.29 1.92 1.63 -1.43 -2.57 116.57 116.68 2jps h LYS 17 Ca 0.42 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2jps h LYS 17 Cb 0.60 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2jps h LYS 17 CO -0.19 1.09 0.19 -0.07 -3.45 0.00 0.00 179.45 177.02 2jps h LEU 18 N -0.73 0.34 -1.48 5.20 3.38 -1.10 0.21 115.31 121.12 2jps h LEU 18 Ca -0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jps h LEU 18 Cb 1.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2jps h LEU 18 CO 0.01 0.26 -0.26 0.00 0.09 0.00 0.00 178.44 178.55 2jps h ALA 19 N 1.09 1.33 0.06 1.53 0.00 -0.02 -2.99 119.26 120.25 2jps h ALA 19 Ca 0.11 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 2jps h ALA 19 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jps h ALA 19 CO -0.02 0.32 -1.28 0.78 0.00 0.00 0.00 179.25 179.05 2jps h GLY 20 N 1.10 0.14 -4.21 0.00 0.00 -0.91 -3.47 103.07 95.72 2jps h GLY 20 Ca -0.00 -0.35 -0.60 0.00 0.00 0.00 0.00 47.33 46.38 2jps h GLY 20 CO 0.03 0.31 0.13 1.39 0.00 0.00 0.00 176.54 178.39 2jps n ILE 21 N -3.37 2.11 -2.40 2.60 5.41 0.66 -4.93 119.36 119.44 2jps n ILE 21 Ca -0.08 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.83 2jps n ILE 21 Cb 1.00 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 38.86 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 -1.71 3.62 -1.47 0.38 0.04 -1.26 -3.26 135.00 131.34 2jps s PRO 22 Ca 0.60 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2jps s PRO 22 Cb -0.64 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2jps s PRO 22 CO 0.59 -0.59 0.00 -1.71 0.04 0.00 0.00 177.00 175.33 2jps n ASN 23 N -1.21 -4.60 -3.46 6.66 5.15 -1.26 -4.89 115.26 111.66 2jps n ASN 23 Ca 0.10 0.19 -0.31 0.00 -0.60 0.00 0.00 54.58 53.96 2jps n ASN 23 Cb 0.52 -3.96 -0.04 0.00 -0.53 0.00 0.00 39.78 35.77 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 -3.16 3.38 -3.93 1.20 7.35 -1.20 -5.06 117.46 116.04 2jps n PHE 24 Ca -0.18 -3.66 -0.21 0.00 -0.76 0.00 0.00 57.45 52.64 2jps n PHE 24 Cb 0.61 -0.74 -0.03 0.00 0.35 0.00 0.00 39.48 39.66 2jps n PHE 24 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jps s ASN 25 N -2.46 5.60 0.55 -2.13 4.22 -1.26 -4.76 114.94 114.70 2jps s ASN 25 Ca 0.40 -0.28 0.00 0.00 -2.14 0.00 0.00 52.86 50.84 2jps s ASN 25 Cb 0.16 -1.30 0.00 0.00 1.28 0.00 0.00 41.25 41.39 2jps s ASN 25 CO -0.02 -0.19 0.00 1.21 -2.04 0.00 0.00 177.10 176.06 2jps n GLU 26 N -1.32 -3.87 -3.24 3.55 2.13 -1.26 -4.71 120.64 111.92 2jps n GLU 26 Ca -0.05 3.00 -0.22 0.00 0.66 0.00 0.00 57.16 60.55 2jps n GLU 26 Cb 0.58 -3.76 0.00 0.00 0.27 0.00 0.00 31.44 28.54 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 -2.53 -4.03 -0.12 4.31 9.92 -1.26 -4.85 116.55 117.99 2jps n ASP 27 Ca 0.00 -0.32 -0.16 0.00 -0.53 0.00 0.00 54.79 53.77 2jps n ASP 27 Cb 0.45 -3.33 -0.13 0.00 -0.64 0.00 0.00 41.12 37.47 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 -3.96 1.49 0.09 0.53 0.00 -1.26 -3.44 119.36 112.81 2jps n ILE 28 Ca -0.04 -0.64 -0.16 0.00 0.00 0.00 0.00 62.75 61.92 2jps n ILE 28 Cb 0.56 -1.23 -0.10 0.00 0.00 0.00 0.00 39.64 38.87 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 0.37 -0.03 9.51 6.56 -1.98 -3.05 116.57 127.95 2jps h LYS 29 Ca -0.56 -0.51 -0.16 0.00 -1.06 0.00 0.00 60.65 58.36 2jps h LYS 29 Cb 1.98 0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 33.80 2jps h LYS 29 CO -0.05 1.20 -0.69 1.88 -2.06 0.00 0.00 179.45 179.72 2jps h TYR 30 N 0.16 0.22 0.00 -1.35 0.05 -1.97 -3.11 116.97 110.96 2jps h TYR 30 Ca -0.12 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.45 2jps h TYR 30 Cb 1.81 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 39.51 2jps h TYR 30 CO 0.07 0.80 -0.53 -0.24 -1.05 0.00 0.00 178.16 177.21 2jps h VAL 31 N 0.11 1.37 -0.34 -2.88 3.04 -1.60 -3.00 116.25 112.95 2jps h VAL 31 Ca -0.02 -1.81 -0.12 0.00 -1.01 0.00 0.00 66.70 63.74 2jps h VAL 31 Cb 1.23 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.48 2jps h VAL 31 CO 0.10 0.52 -0.27 0.00 -1.01 0.00 0.00 177.57 176.91 2jps h ALA 32 N 1.47 0.88 -0.38 3.17 0.00 -1.47 -2.11 119.26 120.82 2jps h ALA 32 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jps h ALA 32 Cb 0.94 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jps h ALA 32 CO 0.07 0.63 0.23 0.93 0.00 0.00 0.00 179.25 181.10 2jps h GLU 33 N 0.61 0.45 -0.77 0.00 5.08 -1.51 0.65 114.58 119.09 2jps h GLU 33 Ca 0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jps h GLU 33 Cb 0.78 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2jps h GLU 33 CO 0.06 0.30 0.28 -0.92 -1.00 0.00 0.00 179.01 177.73 2jps h TYR 34 N 0.46 1.20 -0.42 4.33 3.20 -1.51 0.18 116.97 124.41 2jps h TYR 34 Ca 0.15 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jps h TYR 34 Cb -0.01 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.07 0.93 0.27 0.82 -1.64 0.00 0.00 178.16 178.47 2jps h ILE 35 N 1.13 1.11 -0.56 1.81 2.04 -0.66 0.12 117.51 122.50 2jps h ILE 35 Ca 0.25 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 2jps h ILE 35 Cb 0.26 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2jps h ILE 35 CO -0.01 0.11 0.05 0.58 0.00 0.00 0.00 178.15 178.87 2jps h VAL 36 N 0.56 1.26 -0.96 1.67 2.07 -0.50 -1.12 116.25 119.24 2jps h VAL 36 Ca 0.15 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.67 2jps h VAL 36 Cb -0.06 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2jps h VAL 36 CO -0.03 0.38 0.62 0.25 0.02 0.00 0.00 177.57 178.81 2jps h LEU 37 N 0.85 1.01 -0.74 2.57 5.85 -0.01 0.45 115.31 125.30 2jps h LEU 37 Ca 0.16 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2jps h LEU 37 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jps h LEU 37 CO 0.02 0.67 0.05 -0.07 -0.34 0.00 0.00 178.44 178.77 2jps h LEU 38 N 1.17 0.98 0.33 2.25 3.38 -0.37 0.51 115.31 123.55 2jps h LEU 38 Ca 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 38 Cb 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2jps h LEU 38 CO -0.15 1.00 -0.16 0.40 0.09 0.00 0.00 178.44 179.63 2jps h ILE 39 N 0.94 0.69 -0.28 1.22 1.08 0.27 -2.57 117.51 118.87 2jps h ILE 39 Ca 0.18 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2jps h ILE 39 Cb 0.48 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2jps h ILE 39 CO 0.02 0.08 0.18 1.62 -0.69 0.00 0.00 178.15 179.36 2jps h VAL 40 N -0.66 1.07 -0.65 1.67 3.04 -0.10 -1.96 116.25 118.66 2jps h VAL 40 Ca -0.05 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 2jps h VAL 40 Cb 0.46 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 2jps h VAL 40 CO 0.07 0.07 0.28 0.78 -1.01 0.00 0.00 177.57 177.76 2jps h ASN 41 N 0.38 0.85 0.00 3.17 2.35 -0.64 -3.45 115.58 118.24 2jps h ASN 41 Ca 0.10 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jps h ASN 41 Cb -0.04 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2jps h ASN 41 CO -0.02 0.75 0.00 0.61 -1.65 0.00 0.00 177.43 177.12 2jps n GLY 42 N -1.04 -1.81 0.00 2.83 0.00 -0.75 -5.09 105.19 99.32 2jps n GLY 42 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.47 0.68 2.94 -0.02 0.00 -1.12 -4.96 105.19 101.23 2jps n GLY 43 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.81 1.36 0.38 2.61 -4.23 -1.26 -5.01 115.64 108.67 2jps s THR 44 Ca 0.00 -0.83 0.15 0.00 -1.18 0.00 0.00 61.69 59.83 2jps s THR 44 Cb 0.00 -1.50 0.36 0.00 1.34 0.00 0.00 72.50 72.70 2jps s THR 44 CO 0.00 0.13 1.81 0.58 -0.54 0.00 0.00 174.62 176.60 2jps h VAL 45 N 6.40 0.65 0.37 2.29 2.07 -1.96 0.88 116.25 126.95 2jps h VAL 45 Ca -0.25 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2jps h VAL 45 Cb 1.10 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2jps h VAL 45 CO 0.43 0.09 -0.18 -0.33 0.02 0.00 0.00 177.57 177.61 2jps h GLU 46 N 0.50 -0.48 -0.25 1.57 5.08 -1.97 0.81 114.58 119.84 2jps h GLU 46 Ca 0.53 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.82 2jps h GLU 46 Cb 1.18 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2jps h GLU 46 CO -0.26 -0.18 -0.28 1.03 -1.00 0.00 0.00 179.01 178.32 2jps h SER 47 N -0.80 0.51 -0.03 1.42 0.87 -1.81 0.29 113.55 114.01 2jps h SER 47 Ca -0.05 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.15 2jps h SER 47 Cb 0.53 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2jps h SER 47 CO 0.08 0.78 -0.60 0.58 -0.53 0.00 0.00 176.83 177.14 2jps h VAL 48 N 0.44 1.31 0.08 2.23 2.07 0.83 -0.37 116.25 122.85 2jps h VAL 48 Ca 0.06 -1.85 -0.27 0.00 0.82 0.00 0.00 66.70 65.46 2jps h VAL 48 Cb 0.72 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2jps h VAL 48 CO 0.06 0.58 -1.14 0.58 0.02 0.00 0.00 177.57 177.66 2jps h VAL 49 N 0.47 1.37 -0.20 2.57 2.07 0.83 -2.57 116.25 120.79 2jps h VAL 49 Ca -0.00 -2.59 -0.10 0.00 0.82 0.00 0.00 66.70 64.83 2jps h VAL 49 Cb 1.18 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2jps h VAL 49 CO 0.12 0.78 -0.31 -0.78 0.02 0.00 0.00 177.57 177.39 2jps h ASP 50 N 0.22 0.41 -0.15 0.57 3.58 -0.41 0.21 116.42 120.84 2jps h ASP 50 Ca -0.14 -0.15 -0.18 0.00 0.42 0.00 0.00 57.03 56.98 2jps h ASP 50 Cb 1.82 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.76 2jps h ASP 50 CO 0.21 0.71 -0.62 -0.33 -2.88 0.00 0.00 179.24 176.32 2jps h GLU 51 N 0.35 0.69 -0.16 0.28 5.08 -1.08 -1.26 114.58 118.48 2jps h GLU 51 Ca 0.05 -0.54 -0.17 0.00 -1.00 0.00 0.00 59.36 57.69 2jps h GLU 51 Cb 0.72 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jps h GLU 51 CO 0.06 1.16 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.53 2jps h LEU 52 N 0.37 0.62 -0.71 1.33 3.38 -1.36 -3.07 115.31 115.89 2jps h LEU 52 Ca -0.04 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 2jps h LEU 52 Cb 1.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2jps h LEU 52 CO 0.13 1.09 -0.19 0.00 0.09 0.00 0.00 178.44 179.56 2jps h ALA 53 N 0.91 0.90 -0.71 1.53 0.00 -0.59 1.02 119.26 122.32 2jps h ALA 53 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 53 Cb 1.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jps h ALA 53 CO 0.12 0.63 0.47 1.03 0.00 0.00 0.00 179.25 181.49 2jps h SER 54 N 0.69 0.79 0.05 0.00 0.87 -1.14 -2.39 113.55 112.43 2jps h SER 54 Ca 0.10 -0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.27 2jps h SER 54 Cb 0.70 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2jps h SER 54 CO 0.05 0.56 -2.19 0.18 -0.53 0.00 0.00 176.83 174.91 2jps n LEU 55 N -4.44 2.67 -3.91 2.23 4.32 -1.09 -4.61 117.00 112.17 2jps n LEU 55 Ca 0.08 0.09 -0.36 0.00 -0.02 0.00 0.00 56.01 55.80 2jps n LEU 55 Cb 0.07 -1.00 -0.04 0.00 -1.62 0.00 0.00 43.42 40.82 2jps n LEU 55 CO 0.36 0.82 0.54 0.49 -1.22 0.00 0.00 177.39 178.38 2jps n PHE 56 N -3.52 3.54 -1.22 -1.77 3.72 0.35 -4.84 117.46 113.72 2jps n PHE 56 Ca -0.40 -3.67 -0.18 0.00 -0.05 0.00 0.00 57.45 53.16 2jps n PHE 56 Cb 0.98 -1.05 0.21 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.64 3.83 -0.06 4.37 -0.08 -0.90 -4.35 116.55 121.00 2jps n ASP 57 Ca 0.25 -3.55 -0.15 0.00 -1.51 0.00 0.00 54.79 49.84 2jps n ASP 57 Cb 0.37 -0.80 -0.14 0.00 2.34 0.00 0.00 41.12 42.89 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jps n SER 58 N -0.95 1.25 -4.91 1.67 2.88 -1.26 -4.94 113.62 107.36 2jps n SER 58 Ca 0.53 0.12 -0.28 0.00 -1.33 0.00 0.00 58.87 57.91 2jps n SER 58 Cb 1.55 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 64.88 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 -2.54 5.07 0.38 2.46 0.11 -1.26 -5.03 120.40 119.58 2jps s VAL 59 Ca -0.18 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 2jps s VAL 59 Cb 0.07 -3.73 -0.12 0.00 -1.53 0.00 0.00 36.38 31.08 2jps s VAL 59 CO 0.76 -0.27 1.02 -1.20 -3.33 0.00 0.00 175.10 172.07 2jps n SER 60 N -0.84 1.32 -0.13 3.54 7.64 -1.26 -4.83 113.62 119.06 2jps n SER 60 Ca -0.02 1.08 0.24 0.00 1.01 0.00 0.00 58.87 61.18 2jps n SER 60 Cb 0.54 -1.34 0.68 0.00 -1.01 0.00 0.00 64.21 63.08 2jps n SER 60 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2jps h ARG 61 N 1.72 0.07 -0.80 1.43 -0.00 -1.96 -0.57 114.38 114.28 2jps h ARG 61 Ca -0.43 -0.00 0.05 0.00 -0.00 0.00 0.00 59.98 59.60 2jps h ARG 61 Cb 1.34 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.97 31.24 2jps h ARG 61 CO 0.58 0.05 0.52 -0.44 -0.00 0.00 0.00 179.97 180.68 2jps h ASP 62 N 0.07 0.80 -0.40 0.08 3.32 -1.98 0.20 116.42 118.51 2jps h ASP 62 Ca 0.37 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 2jps h ASP 62 Cb 1.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2jps h ASP 62 CO -0.03 0.53 -0.06 0.74 -1.72 0.00 0.00 179.24 178.70 2jps h THR 63 N 0.92 1.27 -0.33 0.35 2.02 -1.43 0.18 112.91 115.90 2jps h THR 63 Ca 0.33 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 2jps h THR 63 Cb 0.15 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2jps h THR 63 CO -0.11 0.38 -0.12 -0.07 0.37 0.00 0.00 175.52 175.97 2jps h LEU 64 N 0.56 0.67 -1.13 2.58 4.07 -1.40 -2.79 115.31 117.87 2jps h LEU 64 Ca 0.11 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 2jps h LEU 64 Cb 0.56 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 2jps h LEU 64 CO 0.03 0.90 0.34 0.00 -1.08 0.00 0.00 178.44 178.64 2jps h ALA 65 N 0.79 1.33 -0.75 1.53 0.00 -0.54 -1.55 119.26 120.06 2jps h ALA 65 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 65 Cb 0.63 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2jps h ALA 65 CO 0.04 0.53 0.48 -0.97 0.00 0.00 0.00 179.25 179.33 2jps h ASN 66 N 0.95 0.89 -0.16 0.00 -0.73 -0.75 0.23 115.58 116.00 2jps h ASN 66 Ca 0.24 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.21 2jps h ASN 66 Cb 0.07 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 2jps h ASN 66 CO -0.03 0.66 -0.46 0.58 -0.37 0.00 0.00 177.43 177.81 2jps h VAL 67 N 1.03 1.29 -0.36 2.57 2.07 -1.19 -2.51 116.25 119.15 2jps h VAL 67 Ca 0.27 -1.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.04 2jps h VAL 67 Cb -0.08 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2jps h VAL 67 CO -0.06 0.53 -0.18 0.58 0.02 0.00 0.00 177.57 178.47 2jps h VAL 68 N 0.57 1.26 -0.19 2.57 2.07 -0.81 -2.77 116.25 118.96 2jps h VAL 68 Ca 0.03 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2jps h VAL 68 Cb 1.01 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2jps h VAL 68 CO 0.10 0.41 0.06 -0.61 0.02 0.00 0.00 177.57 177.54 2jps h GLN 69 N 0.60 0.30 0.00 1.57 5.75 -0.38 -2.59 115.11 120.36 2jps h GLN 69 Ca 0.09 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2jps h GLN 69 Cb 0.64 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 2jps h GLN 69 CO 0.05 0.40 -0.05 0.00 -2.65 0.00 0.00 178.83 176.58 2jps h THR 70 N 0.14 1.02 -0.48 2.39 1.03 -1.37 -1.83 112.91 113.81 2jps h THR 70 Ca 0.06 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 66.23 2jps h THR 70 Cb 0.23 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.38 2jps h THR 70 CO -0.00 0.05 0.05 0.00 -0.01 0.00 0.00 175.52 175.61 2jps h ALA 71 N 1.95 0.64 -0.44 0.00 0.00 -1.18 0.18 119.26 120.42 2jps h ALA 71 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2jps h ALA 71 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jps h ALA 71 CO 0.01 0.40 0.20 0.74 0.00 0.00 0.00 179.25 180.60 2jps h PHE 72 N 0.68 0.64 -0.80 0.00 0.04 -1.10 -1.86 116.94 114.53 2jps h PHE 72 Ca 0.14 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2jps h PHE 72 Cb 0.43 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 2jps h PHE 72 CO 0.03 0.53 0.49 0.35 -0.60 0.00 0.00 178.31 179.11 2jps h PHE 73 N 0.57 1.05 -0.47 -0.55 3.57 -1.16 -2.32 116.94 117.63 2jps h PHE 73 Ca 0.15 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2jps h PHE 73 Cb 0.14 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2jps h PHE 73 CO -0.01 0.69 0.28 0.00 -2.23 0.00 0.00 178.31 177.04 2jps h ALA 74 N 1.44 0.60 -0.94 2.41 0.00 -0.29 0.55 119.26 123.02 2jps h ALA 74 Ca 0.29 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2jps h ALA 74 Cb -0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2jps h ALA 74 CO -0.06 0.09 0.61 -0.07 0.00 0.00 0.00 179.25 179.82 2jps h LEU 75 N 0.62 1.01 -0.30 0.00 3.38 -0.83 0.74 115.31 119.94 2jps h LEU 75 Ca 0.17 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2jps h LEU 75 Cb -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2jps h LEU 75 CO -0.03 0.68 -0.45 -0.33 0.09 0.00 0.00 178.44 178.40 2jps h GLU 76 N 1.17 0.83 -0.31 1.13 5.08 -1.08 -1.05 114.58 120.35 2jps h GLU 76 Ca 0.38 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2jps h GLU 76 Cb 0.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jps h GLU 76 CO -0.13 1.13 -0.40 0.00 -1.00 0.00 0.00 179.01 178.61 2jps h ALA 77 N 0.69 0.73 -0.42 3.43 0.00 -0.28 -2.87 119.26 120.54 2jps h ALA 77 Ca 0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 77 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jps h ALA 77 CO 0.10 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 181.02 2jps h LEU 78 N 0.60 0.90 -1.67 0.00 5.85 0.54 -0.41 115.31 121.13 2jps h LEU 78 Ca 0.05 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2jps h LEU 78 Cb 0.94 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2jps h LEU 78 CO 0.09 1.10 0.00 1.56 -0.34 0.00 0.00 178.44 180.85 2jps h GLN 79 N 0.75 0.21 0.16 1.25 4.20 -1.08 -3.01 115.11 117.59 2jps h GLN 79 Ca 0.09 -0.03 -0.35 0.00 0.06 0.00 0.00 58.65 58.43 2jps h GLN 79 Cb 0.80 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 2jps h GLN 79 CO 0.07 0.23 -1.82 1.96 -0.67 0.00 0.00 178.83 178.59 2jps h GLN 80 N 0.21 0.33 0.00 1.46 4.20 -1.28 -3.49 115.11 116.54 2jps h GLN 80 Ca 0.05 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2jps h GLN 80 Cb 0.14 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2jps h GLN 80 CO 0.00 1.25 0.00 0.41 -0.67 0.00 0.00 178.83 179.83 2jps n GLY 81 N 1.89 0.18 3.46 3.46 0.00 -0.20 -5.12 105.19 108.85 2jps n GLY 81 Ca -0.26 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 1.67 -0.04 1.61 8.01 -0.95 -4.94 118.70 124.05 2jps s GLU 82 Ca 0.00 -1.93 0.06 0.00 0.01 0.00 0.00 54.97 53.12 2jps s GLU 82 Cb 0.00 -0.89 -0.02 0.00 -4.31 0.00 0.00 34.13 28.91 2jps s GLU 82 CO 0.00 -0.19 -0.22 -1.12 0.01 0.00 0.00 175.26 173.74 2jps s SER 83 N -3.50 3.36 -0.20 -0.19 0.01 -1.26 -4.85 113.70 107.08 2jps s SER 83 Ca 0.36 -0.39 0.11 0.00 1.31 0.00 0.00 55.95 57.34 2jps s SER 83 Cb 0.09 -0.59 -0.22 0.00 0.21 0.00 0.00 66.02 65.50 2jps s SER 83 CO 0.16 0.31 0.06 0.00 0.41 0.00 0.00 173.24 174.18 2jps n ALA 84 N 2.50 1.44 -0.30 1.44 0.00 -1.26 -4.40 120.51 119.94 2jps n ALA 84 Ca -0.17 -1.16 0.04 0.00 0.00 0.00 0.00 53.44 52.16 2jps n ALA 84 Cb 0.52 -0.26 0.25 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.83 0.00 4.81 -1.96 -1.65 114.58 115.93 2jps h GLU 85 Ca -0.52 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.72 2jps h GLU 85 Cb 2.11 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 31.21 2jps h GLU 85 CO 0.00 0.65 0.54 -0.91 -0.73 0.00 0.00 179.01 178.56 2jps h ASN 86 N 1.01 0.79 -0.45 1.04 2.35 -2.02 -1.02 115.58 117.28 2jps h ASN 86 Ca 0.39 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 2jps h ASN 86 Cb 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2jps h ASN 86 CO -0.15 0.50 0.13 0.40 -1.65 0.00 0.00 177.43 176.67 2jps h ILE 87 N 0.89 1.21 -0.83 2.81 2.04 -1.52 -2.48 117.51 119.63 2jps h ILE 87 Ca 0.36 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2jps h ILE 87 Cb 0.26 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2jps h ILE 87 CO -0.13 0.28 0.55 0.58 0.00 0.00 0.00 178.15 179.43 2jps h VAL 88 N 0.75 1.16 -0.85 1.67 2.07 -1.14 -1.83 116.25 118.08 2jps h VAL 88 Ca 0.17 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2jps h VAL 88 Cb 0.27 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2jps h VAL 88 CO -0.00 0.19 0.50 -1.28 0.02 0.00 0.00 177.57 177.00 2jps h SER 89 N 1.06 0.73 -0.13 0.57 0.87 -1.35 0.30 113.55 115.60 2jps h SER 89 Ca 0.32 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.81 2jps h SER 89 Cb -0.01 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2jps h SER 89 CO -0.09 0.42 -0.29 0.11 -0.53 0.00 0.00 176.83 176.45 2jps h LYS 90 N 0.84 0.60 -0.31 2.24 1.57 -1.39 -2.73 116.57 117.39 2jps h LYS 90 Ca 0.41 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 2jps h LYS 90 Cb 0.36 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jps h LYS 90 CO -0.24 0.83 -0.46 0.82 -0.57 0.00 0.00 179.45 179.83 2jps h ILE 91 N 0.52 1.28 -0.71 1.86 1.08 -0.61 -2.49 117.51 118.43 2jps h ILE 91 Ca 0.07 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 2jps h ILE 91 Cb 0.77 1.53 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 2jps h ILE 91 CO 0.06 0.54 0.45 -0.09 -0.69 0.00 0.00 178.15 178.42 2jps h ARG 92 N 0.65 0.95 -0.27 2.37 9.65 -0.33 0.84 114.38 128.23 2jps h ARG 92 Ca 0.04 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.68 2jps h ARG 92 Cb 1.04 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2jps h ARG 92 CO 0.10 0.65 -0.49 1.98 2.80 0.00 0.00 179.97 185.01 2jps h MET 93 N 0.97 0.81 -0.17 0.20 4.05 -1.36 0.29 114.93 119.72 2jps h MET 93 Ca 0.26 -0.51 -0.22 0.00 -0.28 0.00 0.00 59.70 58.95 2jps h MET 93 Cb -0.08 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2jps h MET 93 CO -0.05 1.14 -0.74 0.52 0.23 0.00 0.00 176.91 178.01 2jps h MET 94 N 0.58 0.79 -0.22 0.39 2.86 -0.97 -2.47 114.93 115.89 2jps h MET 94 Ca 0.02 -0.62 -0.15 0.00 -2.06 0.00 0.00 59.70 56.89 2jps h MET 94 Cb 1.10 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2jps h MET 94 CO 0.11 1.23 -0.49 -0.91 1.06 0.00 0.00 176.91 177.91 2jps h ASN 95 N 0.55 0.64 -0.49 1.22 2.35 0.70 -3.01 115.58 117.53 2jps h ASN 95 Ca -0.04 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.33 2jps h ASN 95 Cb 1.36 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2jps h ASN 95 CO 0.15 1.02 0.11 0.00 -1.65 0.00 0.00 177.43 177.06 2jps h ALA 96 N 1.00 1.16 -0.87 -0.83 0.00 -0.39 -2.63 119.26 116.70 2jps h ALA 96 Ca 0.02 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jps h ALA 96 Cb 1.02 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2jps h ALA 96 CO 0.09 0.56 0.57 0.37 0.00 0.00 0.00 179.25 180.85 2jps h GLN 97 N 0.82 1.03 -0.81 0.00 5.75 -1.30 0.85 115.11 121.44 2jps h GLN 97 Ca 0.17 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.71 2jps h GLN 97 Cb 0.34 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 2jps h GLN 97 CO 0.00 0.68 0.53 1.03 -2.65 0.00 0.00 178.83 178.42 2jps h SER 98 N 1.06 0.67 0.02 -0.69 0.87 -1.46 -3.15 113.55 110.86 2jps h SER 98 Ca 0.36 0.02 -0.40 0.00 -1.23 0.00 0.00 61.79 60.54 2jps h SER 98 Cb 0.08 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 2jps h SER 98 CO -0.11 0.39 -2.37 -0.11 -0.53 0.00 0.00 176.83 174.10 2jps n LEU 99 N -4.51 2.66 -1.75 2.23 0.00 -0.67 -5.08 117.00 109.87 2jps n LEU 99 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 56.01 56.18 2jps n LEU 99 Cb 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 43.42 42.83 2jps n LEU 99 CO 0.32 0.82 -0.07 0.61 0.00 0.00 0.00 177.39 179.07 2jps n GLY 100 N 1.97 -2.38 2.62 -3.96 0.00 0.29 -5.07 105.19 98.64 2jps n GLY 100 Ca -0.45 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2jps n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jps s GLN 101 N -0.65 0.06 -1.53 1.61 0.74 -1.26 -4.87 119.66 113.75 2jps s GLN 101 Ca 0.02 -0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.23 2jps s GLN 101 Cb -0.00 -1.77 0.09 0.00 1.10 0.00 0.00 33.01 32.43 2jps s GLN 101 CO 0.16 -0.66 0.92 0.45 -0.55 0.00 0.00 175.29 175.61 2jps n SER 102 N 5.28 -4.67 -3.71 6.67 2.88 -1.26 -4.97 113.62 113.85 2jps n SER 102 Ca -0.07 -0.75 -0.18 0.00 -1.33 0.00 0.00 58.87 56.54 2jps n SER 102 Cb 0.49 -3.74 -0.17 0.00 -0.75 0.00 0.00 64.21 60.04 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 -3.23 0.68 0.04 -3.46 -1.08 -1.26 -5.15 116.67 103.21 2jps s ASP 103 Ca 0.65 0.07 -0.02 0.00 -0.52 0.00 0.00 52.55 52.73 2jps s ASP 103 Cb -0.33 -0.10 -0.03 0.00 -1.46 0.00 0.00 42.92 41.01 2jps s ASP 103 CO 0.80 -0.20 0.01 0.27 0.52 0.00 0.00 175.17 176.57 2jps s ILE 104 N 1.71 0.17 -0.34 4.11 -4.36 -1.26 -5.01 121.20 116.22 2jps s ILE 104 Ca -0.01 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2jps s ILE 104 Cb -0.12 -1.10 0.02 0.00 1.25 0.00 0.00 42.46 42.51 2jps s ILE 104 CO -0.03 -0.78 0.59 0.00 0.24 0.00 0.00 174.94 174.96