#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 0.12 -2.75 6.12 7.64 -1.26 -4.94 113.62 118.55 2jps n SER 2 Ca 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 58.87 57.18 2jps n SER 2 Cb 0.00 -0.63 0.04 0.00 -1.01 0.00 0.00 64.21 62.62 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 1.60 1.45 -0.30 1.43 1.13 -1.26 -4.92 117.38 116.51 2jps n GLN 3 Ca 0.22 -3.31 -0.04 0.00 -1.94 0.00 0.00 57.00 51.93 2jps n GLN 3 Cb 0.52 -1.37 0.07 0.00 0.11 0.00 0.00 30.24 29.58 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 2.74 1.11 -0.87 -1.09 5.08 -1.99 -0.45 114.58 119.11 2jps h GLU 4 Ca -0.13 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2jps h GLU 4 Cb 1.23 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 2jps h GLU 4 CO 0.31 0.78 0.57 -0.56 -1.00 0.00 0.00 179.01 179.11 2jps h GLN 5 N 1.12 0.86 -0.22 2.33 3.07 -2.00 0.80 115.11 121.09 2jps h GLN 5 Ca 0.30 -0.05 -0.20 0.00 0.09 0.00 0.00 58.65 58.79 2jps h GLN 5 Cb -0.05 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.32 2jps h GLN 5 CO -0.06 0.57 -0.64 1.88 0.09 0.00 0.00 178.83 180.67 2jps h TYR 6 N 0.89 1.02 -0.84 0.06 -1.99 -1.75 -2.81 116.97 111.55 2jps h TYR 6 Ca 0.40 -0.40 0.02 0.00 2.00 0.00 0.00 58.73 60.74 2jps h TYR 6 Cb 0.36 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 2jps h TYR 6 CO -0.00 1.22 0.55 1.15 -0.00 0.00 0.00 178.16 181.08 2jps h THR 7 N 0.58 1.18 -0.54 -2.88 2.02 0.57 0.92 112.91 114.76 2jps h THR 7 Ca -0.01 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 2jps h THR 7 Cb 1.25 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2jps h THR 7 CO 0.13 0.20 0.00 -0.08 0.37 0.00 0.00 175.52 176.15 2jps h GLU 8 N 1.11 0.95 -0.07 6.66 4.81 -0.88 0.48 114.58 127.64 2jps h GLU 8 Ca 0.32 -0.30 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 2jps h GLU 8 Cb -0.08 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.23 2jps h GLU 8 CO -0.09 0.96 -0.93 -0.91 -0.73 0.00 0.00 179.01 177.32 2jps h ASN 9 N 0.82 0.92 -0.32 1.04 4.21 -1.18 -3.13 115.58 117.94 2jps h ASN 9 Ca 0.15 -0.67 -0.10 0.00 1.21 0.00 0.00 56.30 56.89 2jps h ASN 9 Cb 0.53 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 2jps h ASN 9 CO 0.03 1.48 -0.14 0.25 -1.29 0.00 0.00 177.43 177.75 2jps h LEU 10 N 0.45 0.76 -1.56 1.61 5.85 0.99 -2.64 115.31 120.77 2jps h LEU 10 Ca -0.10 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2jps h LEU 10 Cb 1.57 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2jps h LEU 10 CO 0.19 0.92 0.37 0.50 -0.34 0.00 0.00 178.44 180.07 2jps h LYS 11 N 0.69 0.53 -0.06 1.25 3.64 -0.02 0.24 116.57 122.83 2jps h LYS 11 Ca 0.11 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jps h LYS 11 Cb 0.63 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2jps h LYS 11 CO 0.04 0.35 -0.09 0.28 -2.27 0.00 0.00 179.45 177.76 2jps h VAL 12 N 0.55 1.40 -0.56 2.00 2.07 -1.42 -1.86 116.25 118.41 2jps h VAL 12 Ca 0.24 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 2jps h VAL 12 Cb 0.24 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2jps h VAL 12 CO -0.07 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.44 2jps h ILE 13 N -0.29 1.23 -0.61 4.57 2.04 -1.21 -2.32 117.51 120.91 2jps h ILE 13 Ca 0.01 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2jps h ILE 13 Cb 0.64 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2jps h ILE 13 CO 0.02 0.31 0.22 0.58 0.00 0.00 0.00 178.15 179.28 2jps h VAL 14 N 0.83 1.24 -0.40 1.67 2.07 -0.49 -2.38 116.25 118.78 2jps h VAL 14 Ca 0.18 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2jps h VAL 14 Cb 0.29 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2jps h VAL 14 CO -0.00 0.30 0.15 0.00 0.02 0.00 0.00 177.57 178.04 2jps h ALA 15 N 1.08 1.52 -0.86 1.67 0.00 -0.91 -2.25 119.26 119.51 2jps h ALA 15 Ca 0.20 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.15 2jps h ALA 15 Cb 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2jps h ALA 15 CO -0.01 0.37 0.56 1.49 0.00 0.00 0.00 179.25 181.66 2jps h GLU 16 N 0.56 0.57 0.19 0.00 4.81 -0.90 0.47 114.58 120.29 2jps h GLU 16 Ca 0.14 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 16 Cb 0.12 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.39 2jps h GLU 16 CO -0.01 0.38 -1.57 -0.22 -0.73 0.00 0.00 179.01 176.85 2jps h LYS 17 N 0.58 0.40 0.05 1.92 3.11 -1.45 -2.95 116.57 118.23 2jps h LYS 17 Ca 0.43 -0.68 -0.00 0.00 -2.81 0.00 0.00 60.65 57.58 2jps h LYS 17 Cb 0.81 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2jps h LYS 17 CO -0.18 1.33 -0.02 -0.07 -2.81 0.00 0.00 179.45 177.69 2jps h LEU 18 N 0.01 -0.05 -2.16 5.20 3.38 -0.93 -1.93 115.31 118.84 2jps h LEU 18 Ca -0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2jps h LEU 18 Cb 2.03 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 2jps h LEU 18 CO 0.18 0.24 -0.07 0.00 0.09 0.00 0.00 178.44 178.89 2jps h ALA 19 N 0.58 1.40 0.07 1.53 0.00 -0.23 -2.56 119.26 120.05 2jps h ALA 19 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 19 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jps h ALA 19 CO 0.01 0.09 -1.09 0.78 0.00 0.00 0.00 179.25 179.03 2jps h GLY 20 N 0.46 0.29 -4.88 0.00 0.00 -1.30 -3.45 103.07 94.18 2jps h GLY 20 Ca -0.00 -0.64 -0.57 0.00 0.00 0.00 0.00 47.33 46.11 2jps h GLY 20 CO 0.01 0.56 0.80 1.39 0.00 0.00 0.00 176.54 179.30 2jps n ILE 21 N -3.58 0.14 0.23 2.60 5.41 -0.75 -4.87 119.36 118.54 2jps n ILE 21 Ca -0.06 -0.03 0.12 0.00 1.00 0.00 0.00 62.75 63.77 2jps n ILE 21 Cb 0.94 -1.59 0.48 0.00 -0.71 0.00 0.00 39.64 38.76 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 5.78 0.00 -0.80 0.38 0.13 -1.88 -3.15 132.00 132.46 2jps h PRO 22 Ca -0.45 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 2jps h PRO 22 Cb 1.25 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 2jps h PRO 22 CO 0.88 0.16 0.39 0.09 -0.23 0.00 0.00 178.00 179.29 2jps n ASN 23 N -3.28 4.28 -3.65 1.44 4.13 -1.26 -4.77 115.26 112.15 2jps n ASN 23 Ca 0.01 -3.71 -0.27 0.00 1.68 0.00 0.00 54.58 52.28 2jps n ASN 23 Cb 0.42 -0.78 -0.11 0.00 -1.54 0.00 0.00 39.78 37.77 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2jps n PHE 24 N -1.07 1.62 -1.79 3.10 -0.00 -1.19 -4.93 117.46 113.19 2jps n PHE 24 Ca 0.52 -3.91 -0.23 0.00 -0.00 0.00 0.00 57.45 53.83 2jps n PHE 24 Cb 1.24 -0.29 0.06 0.00 -0.00 0.00 0.00 39.48 40.49 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2jps n ASN 25 N 2.16 5.11 -3.70 -2.13 4.13 -1.26 -4.81 115.26 114.75 2jps n ASN 25 Ca 0.24 -3.77 -0.13 0.00 1.68 0.00 0.00 54.58 52.60 2jps n ASN 25 Cb 0.41 -0.52 -0.14 0.00 -1.54 0.00 0.00 39.78 38.00 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jps s GLU 26 N -3.60 0.15 -1.46 3.52 2.02 -1.26 -4.88 118.70 113.19 2jps s GLU 26 Ca 0.53 0.58 -0.13 0.00 0.02 0.00 0.00 54.97 55.97 2jps s GLU 26 Cb 0.43 -0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.63 2jps s GLU 26 CO 0.02 -0.22 0.70 -0.25 0.02 0.00 0.00 175.26 175.53 2jps n ASP 27 N 4.67 -4.04 0.05 -0.19 9.92 -1.26 -4.84 116.55 120.87 2jps n ASP 27 Ca -0.18 -0.63 -0.01 0.00 -0.53 0.00 0.00 54.79 53.44 2jps n ASP 27 Cb 0.51 -3.29 0.28 0.00 -0.64 0.00 0.00 41.12 37.99 2jps n ASP 27 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2jps h ILE 28 N -1.41 1.23 0.16 0.53 -0.00 -1.90 0.80 117.51 116.92 2jps h ILE 28 Ca -0.51 -1.05 -0.32 0.00 -0.00 0.00 0.00 64.86 62.98 2jps h ILE 28 Cb 1.34 1.26 0.00 0.00 -0.00 0.00 0.00 36.82 39.42 2jps h ILE 28 CO 0.63 0.33 -1.57 0.11 -0.00 0.00 0.00 178.15 177.65 2jps h LYS 29 N 0.35 0.33 0.00 2.19 1.57 -1.98 -3.16 116.57 115.87 2jps h LYS 29 Ca 0.06 -0.57 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 2jps h LYS 29 Cb 0.52 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2jps h LYS 29 CO 0.03 1.22 -0.68 1.88 -0.57 0.00 0.00 179.45 181.34 2jps h TYR 30 N 0.09 0.00 -0.23 -1.35 0.05 -1.90 -3.15 116.97 110.48 2jps h TYR 30 Ca -0.27 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.38 2jps h TYR 30 Cb 2.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.79 2jps h TYR 30 CO 0.08 0.68 -0.44 -0.24 -1.05 0.00 0.00 178.16 177.19 2jps h VAL 31 N 0.00 1.30 -0.77 -2.88 3.04 0.53 -3.03 116.25 114.45 2jps h VAL 31 Ca -0.01 -1.62 -0.04 0.00 -1.01 0.00 0.00 66.70 64.02 2jps h VAL 31 Cb 1.21 1.60 -0.03 0.00 -2.01 0.00 0.00 31.29 32.06 2jps h VAL 31 CO 0.09 0.51 0.33 0.00 -1.01 0.00 0.00 177.57 177.49 2jps h ALA 32 N 1.07 1.13 -0.25 3.17 0.00 -1.51 -1.29 119.26 121.58 2jps h ALA 32 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jps h ALA 32 Cb 0.95 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jps h ALA 32 CO 0.08 0.63 0.17 0.93 0.00 0.00 0.00 179.25 181.06 2jps h GLU 33 N 1.10 0.33 -0.87 0.00 5.08 -1.53 0.99 114.58 119.68 2jps h GLU 33 Ca 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2jps h GLU 33 Cb 0.17 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2jps h GLU 33 CO -0.03 0.22 0.45 -0.92 -1.00 0.00 0.00 179.01 177.74 2jps h TYR 34 N 0.34 1.23 -0.12 4.33 3.20 -1.41 0.27 116.97 124.81 2jps h TYR 34 Ca 0.09 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jps h TYR 34 Cb -0.04 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 2jps h TYR 34 CO -0.06 0.86 0.06 0.82 -1.64 0.00 0.00 178.16 178.21 2jps h ILE 35 N 1.23 1.08 -0.70 1.81 2.04 -0.61 0.26 117.51 122.62 2jps h ILE 35 Ca 0.30 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2jps h ILE 35 Cb 0.07 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2jps h ILE 35 CO -0.04 0.07 0.31 0.58 0.00 0.00 0.00 178.15 179.07 2jps h VAL 36 N 0.10 1.24 -0.77 1.67 2.07 -0.44 -0.71 116.25 119.40 2jps h VAL 36 Ca 0.04 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2jps h VAL 36 Cb 0.06 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2jps h VAL 36 CO -0.01 0.29 0.46 0.25 0.02 0.00 0.00 177.57 178.58 2jps h LEU 37 N 0.98 0.70 -0.55 2.57 5.85 -0.02 0.42 115.31 125.26 2jps h LEU 37 Ca 0.24 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2jps h LEU 37 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2jps h LEU 37 CO -0.03 0.44 0.17 -0.07 -0.34 0.00 0.00 178.44 178.61 2jps h LEU 38 N 0.83 0.80 -0.11 2.25 3.38 -0.36 0.43 115.31 122.53 2jps h LEU 38 Ca 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 38 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jps h LEU 38 CO -0.19 0.79 0.07 0.40 0.09 0.00 0.00 178.44 179.61 2jps h ILE 39 N 0.76 1.04 -0.61 1.22 1.08 0.37 -2.10 117.51 119.26 2jps h ILE 39 Ca 0.18 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2jps h ILE 39 Cb 0.28 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2jps h ILE 39 CO -0.01 0.03 0.33 0.58 -0.69 0.00 0.00 178.15 178.40 2jps h VAL 40 N 0.14 1.19 -0.78 1.67 2.07 -0.00 -2.21 116.25 118.31 2jps h VAL 40 Ca 0.04 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2jps h VAL 40 Cb -0.00 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2jps h VAL 40 CO -0.01 0.21 0.51 0.78 0.02 0.00 0.00 177.57 179.08 2jps h ASN 41 N 0.85 0.74 0.00 0.57 2.35 -0.23 -3.33 115.58 116.53 2jps h ASN 41 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2jps h ASN 41 Cb 0.03 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2jps h ASN 41 CO -0.03 0.48 0.00 0.61 -1.65 0.00 0.00 177.43 176.83 2jps n GLY 42 N -1.43 -1.57 0.00 2.83 0.00 -0.84 -4.88 105.19 99.29 2jps n GLY 42 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.25 0.64 3.05 -0.02 0.00 -1.16 -4.97 105.19 101.48 2jps n GLY 43 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.69 1.94 0.43 2.61 -4.23 -1.26 -5.00 115.64 109.44 2jps s THR 44 Ca 0.00 -1.27 0.15 0.00 -1.18 0.00 0.00 61.69 59.39 2jps s THR 44 Cb 0.00 -1.99 0.35 0.00 1.34 0.00 0.00 72.50 72.20 2jps s THR 44 CO 0.00 0.14 1.93 0.58 -0.54 0.00 0.00 174.62 176.74 2jps h VAL 45 N 6.48 0.82 0.30 2.29 2.07 -1.96 0.88 116.25 127.12 2jps h VAL 45 Ca -0.27 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2jps h VAL 45 Cb 1.08 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2jps h VAL 45 CO 0.50 0.08 -0.14 -0.08 0.02 0.00 0.00 177.57 177.94 2jps h GLU 46 N 0.41 -0.39 -0.32 1.57 4.22 -1.97 0.47 114.58 118.57 2jps h GLU 46 Ca 0.35 0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.68 2jps h GLU 46 Cb 0.79 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jps h GLU 46 CO -0.11 -0.05 -0.34 1.03 -2.18 0.00 0.00 179.01 177.35 2jps h SER 47 N -0.80 0.75 -0.39 1.04 0.87 -1.88 0.34 113.55 113.48 2jps h SER 47 Ca -0.04 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.10 2jps h SER 47 Cb 0.51 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2jps h SER 47 CO 0.07 1.02 -0.11 0.58 -0.53 0.00 0.00 176.83 177.86 2jps h VAL 48 N 0.60 1.26 0.08 2.23 2.07 0.77 0.38 116.25 123.64 2jps h VAL 48 Ca 0.06 -1.20 -0.27 0.00 0.82 0.00 0.00 66.70 66.11 2jps h VAL 48 Cb 0.87 1.03 0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2jps h VAL 48 CO 0.08 0.41 -1.14 0.58 0.02 0.00 0.00 177.57 177.52 2jps h VAL 49 N 0.75 1.35 -0.33 2.57 2.07 0.13 -2.32 116.25 120.47 2jps h VAL 49 Ca 0.12 -2.52 -0.11 0.00 0.82 0.00 0.00 66.70 65.01 2jps h VAL 49 Cb 0.62 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2jps h VAL 49 CO 0.04 0.76 -0.25 0.44 0.02 0.00 0.00 177.57 178.58 2jps h ASP 50 N 0.25 0.68 -0.27 0.57 5.19 -0.15 0.15 116.42 122.83 2jps h ASP 50 Ca -0.15 -0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 55.87 2jps h ASP 50 Cb 1.81 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 2jps h ASP 50 CO 0.21 0.91 -0.40 -0.33 -3.12 0.00 0.00 179.24 176.50 2jps h GLU 51 N 0.58 0.75 -0.25 3.56 3.07 -0.27 -1.38 114.58 120.64 2jps h GLU 51 Ca 0.08 -0.45 -0.16 0.00 -0.50 0.00 0.00 59.36 58.33 2jps h GLU 51 Cb 0.73 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 2jps h GLU 51 CO 0.06 1.07 -0.49 -0.07 -1.40 0.00 0.00 179.01 178.18 2jps h LEU 52 N 0.49 0.73 -0.73 1.33 3.38 -1.31 -3.03 115.31 116.17 2jps h LEU 52 Ca 0.03 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2jps h LEU 52 Cb 1.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2jps h LEU 52 CO 0.09 1.10 0.08 0.00 0.09 0.00 0.00 178.44 179.81 2jps h ALA 53 N 0.92 0.95 -0.48 1.53 0.00 -0.65 0.99 119.26 122.51 2jps h ALA 53 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2jps h ALA 53 Cb 1.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2jps h ALA 53 CO 0.10 0.65 0.32 0.77 0.00 0.00 0.00 179.25 181.09 2jps h SER 54 N 0.98 0.45 0.06 0.00 0.02 -1.14 -2.08 113.55 111.85 2jps h SER 54 Ca 0.19 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.78 2jps h SER 54 Cb 0.45 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2jps h SER 54 CO 0.01 0.31 -2.06 -0.11 -1.14 0.00 0.00 176.83 173.84 2jps n LEU 55 N -4.47 2.53 -3.98 5.07 7.94 -0.97 -4.60 117.00 118.52 2jps n LEU 55 Ca 0.05 0.17 -0.36 0.00 -1.11 0.00 0.00 56.01 54.76 2jps n LEU 55 Cb 0.16 -1.01 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 2jps n LEU 55 CO 0.35 0.76 0.47 0.49 -1.11 0.00 0.00 177.39 178.34 2jps n PHE 56 N -3.66 3.82 -1.16 1.96 3.72 0.34 -4.86 117.46 117.62 2jps n PHE 56 Ca -0.38 -3.84 -0.16 0.00 -0.05 0.00 0.00 57.45 53.02 2jps n PHE 56 Cb 0.96 -1.08 0.24 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 1.87 4.19 -0.10 4.37 -0.08 -0.79 -4.38 116.55 121.64 2jps n ASP 57 Ca 0.24 -3.45 -0.17 0.00 -1.51 0.00 0.00 54.79 49.90 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 2.34 0.00 0.00 41.12 42.90 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jps n SER 58 N -0.73 1.67 -4.90 1.67 7.64 -1.26 -4.96 113.62 112.75 2jps n SER 58 Ca 0.51 -0.04 -0.28 0.00 1.01 0.00 0.00 58.87 60.07 2jps n SER 58 Cb 1.54 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 64.47 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jps s VAL 59 N -2.52 4.90 0.36 0.44 0.11 -1.26 -5.02 120.40 117.40 2jps s VAL 59 Ca -0.28 0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 2jps s VAL 59 Cb 0.08 -3.80 -0.12 0.00 -1.53 0.00 0.00 36.38 31.02 2jps s VAL 59 CO 0.67 -0.63 1.21 -1.20 -3.33 0.00 0.00 175.10 171.82 2jps n SER 60 N -1.68 2.30 -0.20 3.54 7.64 -1.26 -4.85 113.62 119.12 2jps n SER 60 Ca 0.01 1.16 0.18 0.00 1.01 0.00 0.00 58.87 61.23 2jps n SER 60 Cb 0.55 -1.44 0.53 0.00 -1.01 0.00 0.00 64.21 62.84 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 2.22 0.35 -0.92 1.43 2.47 -1.95 -0.92 114.38 117.07 2jps h ARG 61 Ca -0.45 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.31 2jps h ARG 61 Cb 1.30 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 2jps h ARG 61 CO 0.61 0.23 0.60 0.22 0.56 0.00 0.00 179.97 182.19 2jps h ASP 62 N 0.36 0.93 -0.61 7.04 1.82 -1.99 -0.55 116.42 123.41 2jps h ASP 62 Ca 0.42 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 57.01 2jps h ASP 62 Cb 1.07 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 2jps h ASP 62 CO -0.13 0.60 0.16 0.74 -1.61 0.00 0.00 179.24 179.00 2jps h THR 63 N 1.05 1.25 -0.27 2.25 2.02 -1.51 -1.48 112.91 116.23 2jps h THR 63 Ca 0.39 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2jps h THR 63 Cb 0.18 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2jps h THR 63 CO -0.15 0.33 -0.01 -0.07 0.37 0.00 0.00 175.52 176.00 2jps h LEU 64 N 0.89 0.48 -1.52 2.58 4.07 -1.36 -2.72 115.31 117.72 2jps h LEU 64 Ca 0.19 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 57.90 2jps h LEU 64 Cb 0.33 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 2jps h LEU 64 CO -0.00 0.68 0.40 0.00 -1.08 0.00 0.00 178.44 178.44 2jps h ALA 65 N 0.81 1.82 -0.49 1.53 0.00 -0.95 -1.67 119.26 120.32 2jps h ALA 65 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jps h ALA 65 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jps h ALA 65 CO 0.02 0.08 0.29 -0.91 0.00 0.00 0.00 179.25 178.73 2jps h ASN 66 N 0.58 0.59 -0.26 0.00 4.21 -0.95 0.30 115.58 120.05 2jps h ASN 66 Ca 0.26 -0.06 -0.14 0.00 1.21 0.00 0.00 56.30 57.57 2jps h ASN 66 Cb 0.29 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 2jps h ASN 66 CO -0.08 0.47 -0.37 0.58 -1.29 0.00 0.00 177.43 176.75 2jps h VAL 67 N 0.65 1.28 -0.40 2.81 2.07 -1.28 -2.47 116.25 118.91 2jps h VAL 67 Ca 0.17 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 2jps h VAL 67 Cb -0.00 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2jps h VAL 67 CO -0.03 0.50 -0.10 0.58 0.02 0.00 0.00 177.57 178.55 2jps h VAL 68 N 0.65 1.25 -0.09 2.57 2.07 -0.96 -2.64 116.25 119.11 2jps h VAL 68 Ca 0.06 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2jps h VAL 68 Cb 0.92 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jps h VAL 68 CO 0.08 0.37 0.04 -0.61 0.02 0.00 0.00 177.57 177.47 2jps h GLN 69 N 0.64 0.14 0.00 1.57 4.15 -0.17 -2.48 115.11 118.95 2jps h GLN 69 Ca 0.11 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2jps h GLN 69 Cb 0.54 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2jps h GLN 69 CO 0.03 0.25 -0.03 0.00 -1.93 0.00 0.00 178.83 177.15 2jps h THR 70 N -0.01 1.00 -0.54 2.39 1.03 -1.34 -1.67 112.91 113.77 2jps h THR 70 Ca 0.03 -0.09 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 2jps h THR 70 Cb 0.16 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 2jps h THR 70 CO -0.00 0.03 0.16 0.00 -0.01 0.00 0.00 175.52 175.69 2jps h ALA 71 N 1.97 0.71 -0.01 0.00 0.00 -1.08 0.82 119.26 121.68 2jps h ALA 71 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jps h ALA 71 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jps h ALA 71 CO 0.00 0.39 0.00 0.74 0.00 0.00 0.00 179.25 180.38 2jps h PHE 72 N 0.75 0.01 -0.84 0.00 0.04 -1.07 -0.59 116.94 115.25 2jps h PHE 72 Ca 0.17 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2jps h PHE 72 Cb 0.30 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2jps h PHE 72 CO 0.02 0.21 0.46 0.35 -0.60 0.00 0.00 178.31 178.74 2jps h PHE 73 N -0.19 1.16 -0.94 -0.55 3.57 -1.21 -2.07 116.94 116.71 2jps h PHE 73 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jps h PHE 73 Cb 0.20 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 2jps h PHE 73 CO -0.01 0.80 0.62 0.00 -2.23 0.00 0.00 178.31 177.50 2jps h ALA 74 N 1.32 1.33 -0.97 2.41 0.00 0.10 -1.95 119.26 121.51 2jps h ALA 74 Ca 0.30 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2jps h ALA 74 Cb 0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 17.79 17.36 2jps h ALA 74 CO -0.05 0.62 0.62 -0.07 0.00 0.00 0.00 179.25 180.37 2jps h LEU 75 N 1.27 0.89 -0.18 0.00 -0.00 -0.37 0.86 115.31 117.77 2jps h LEU 75 Ca 0.34 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 58.22 2jps h LEU 75 Cb -0.15 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 2jps h LEU 75 CO -0.07 0.49 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.47 2jps h GLU 76 N 0.96 0.35 -0.55 1.13 3.07 -1.32 -1.13 114.58 117.09 2jps h GLU 76 Ca 0.47 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 2jps h GLU 76 Cb 0.47 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2jps h GLU 76 CO -0.23 0.63 -0.07 0.00 -1.40 0.00 0.00 179.01 177.94 2jps h ALA 77 N 0.71 0.84 -0.43 3.43 0.00 -0.99 0.00 119.26 122.82 2jps h ALA 77 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 77 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jps h ALA 77 CO 0.02 0.66 0.14 1.25 0.00 0.00 0.00 179.25 181.31 2jps h LEU 78 N 0.90 0.58 0.22 0.00 6.46 0.82 -2.14 115.31 122.15 2jps h LEU 78 Ca 0.15 -0.08 -0.32 0.00 -0.12 0.00 0.00 57.88 57.51 2jps h LEU 78 Cb 0.62 -0.15 0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2jps h LEU 78 CO 0.04 0.56 -1.44 -0.61 -0.62 0.00 0.00 178.44 176.36 2jps h GLN 79 N 0.62 0.46 -0.92 1.25 4.15 -0.88 -3.32 115.11 116.47 2jps h GLN 79 Ca 0.15 -0.79 0.00 0.00 0.77 0.00 0.00 58.65 58.78 2jps h GLN 79 Cb 0.19 0.29 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 2jps h GLN 79 CO -0.01 1.37 0.58 1.96 -1.93 0.00 0.00 178.83 180.80 2jps h GLN 80 N 0.13 1.24 0.00 1.69 4.20 -0.81 -3.46 115.11 118.09 2jps h GLN 80 Ca -0.23 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2jps h GLN 80 Cb 2.12 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 29.63 2jps h GLN 80 CO 0.25 0.85 0.00 0.41 -0.67 0.00 0.00 178.83 179.67 2jps n GLY 81 N -1.28 0.27 3.70 3.46 0.00 -0.83 -5.10 105.19 105.40 2jps n GLY 81 Ca 0.10 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 2.12 -0.05 1.61 0.41 -1.06 -5.03 118.70 116.71 2jps s GLU 82 Ca 0.00 -2.33 0.05 0.00 -0.41 0.00 0.00 54.97 52.28 2jps s GLU 82 Cb 0.00 -1.35 -0.02 0.00 -1.78 0.00 0.00 34.13 30.98 2jps s GLU 82 CO 0.00 -0.36 -0.18 -1.12 -0.49 0.00 0.00 175.26 173.11 2jps s SER 83 N -3.81 3.71 -0.20 -0.19 0.01 -1.26 -4.92 113.70 107.04 2jps s SER 83 Ca 0.12 -0.30 0.11 0.00 1.31 0.00 0.00 55.95 57.20 2jps s SER 83 Cb 0.03 -0.76 -0.22 0.00 0.21 0.00 0.00 66.02 65.27 2jps s SER 83 CO 0.07 0.32 0.03 0.00 0.41 0.00 0.00 173.24 174.07 2jps n ALA 84 N 2.46 1.45 -0.27 1.44 0.00 -1.26 -4.40 120.51 119.93 2jps n ALA 84 Ca -0.17 -1.19 0.09 0.00 0.00 0.00 0.00 53.44 52.17 2jps n ALA 84 Cb 0.52 -0.23 0.33 0.00 0.00 0.00 0.00 19.45 20.07 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 0.78 -0.79 0.00 5.08 -1.96 -1.11 114.58 116.59 2jps h GLU 85 Ca -0.53 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2jps h GLU 85 Cb 2.11 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 31.14 2jps h GLU 85 CO -0.00 0.52 0.52 -0.91 -1.00 0.00 0.00 179.01 178.13 2jps h ASN 86 N 0.81 0.79 -0.59 1.42 2.35 -2.02 -1.64 115.58 116.70 2jps h ASN 86 Ca 0.42 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.14 2jps h ASN 86 Cb 0.51 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2jps h ASN 86 CO -0.18 0.53 0.28 0.40 -1.65 0.00 0.00 177.43 176.81 2jps h ILE 87 N 0.91 1.21 -0.79 2.81 2.04 -1.43 -2.41 117.51 119.86 2jps h ILE 87 Ca 0.32 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.58 2jps h ILE 87 Cb 0.13 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2jps h ILE 87 CO -0.10 0.26 0.52 0.58 0.00 0.00 0.00 178.15 179.40 2jps h VAL 88 N 0.89 1.17 -0.85 1.67 2.07 -1.28 -1.91 116.25 118.02 2jps h VAL 88 Ca 0.22 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2jps h VAL 88 Cb 0.13 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2jps h VAL 88 CO -0.02 0.19 0.51 -1.28 0.02 0.00 0.00 177.57 176.99 2jps h SER 89 N 1.03 0.78 0.05 0.57 0.87 -1.39 0.46 113.55 115.93 2jps h SER 89 Ca 0.30 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.76 2jps h SER 89 Cb -0.07 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2jps h SER 89 CO -0.07 0.48 -0.42 0.50 -0.53 0.00 0.00 176.83 176.78 2jps h LYS 90 N 0.91 0.47 -0.23 2.24 3.64 -1.40 -2.15 116.57 120.04 2jps h LYS 90 Ca 0.38 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 2jps h LYS 90 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jps h LYS 90 CO -0.20 0.81 -0.63 0.82 -2.27 0.00 0.00 179.45 177.98 2jps h ILE 91 N 0.38 1.28 -0.62 2.00 1.08 -0.52 -1.10 117.51 120.01 2jps h ILE 91 Ca 0.03 -1.83 -0.06 0.00 -0.39 0.00 0.00 64.86 62.62 2jps h ILE 91 Cb 0.90 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 2jps h ILE 91 CO 0.08 0.59 0.16 0.03 -0.69 0.00 0.00 178.15 178.31 2jps h ARG 92 N 0.61 0.97 -0.21 2.37 3.08 -0.04 0.61 114.38 121.77 2jps h ARG 92 Ca -0.01 -0.21 -0.21 0.00 0.07 0.00 0.00 59.98 59.62 2jps h ARG 92 Cb 1.24 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2jps h ARG 92 CO 0.13 0.86 -0.69 1.98 -1.07 0.00 0.00 179.97 181.19 2jps h MET 93 N 0.93 0.82 -0.23 0.04 4.05 -1.33 0.80 114.93 120.02 2jps h MET 93 Ca 0.20 -0.61 -0.18 0.00 -0.28 0.00 0.00 59.70 58.83 2jps h MET 93 Cb 0.33 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2jps h MET 93 CO -0.00 1.23 -0.58 0.52 0.23 0.00 0.00 176.91 178.31 2jps h MET 94 N 0.59 0.73 -0.20 0.39 2.86 -0.92 -1.76 114.93 116.61 2jps h MET 94 Ca -0.03 -0.48 -0.18 0.00 -2.06 0.00 0.00 59.70 56.95 2jps h MET 94 Cb 1.31 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.03 2jps h MET 94 CO 0.15 1.10 -0.61 -0.91 1.06 0.00 0.00 176.91 177.69 2jps h ASN 95 N 0.55 0.78 -0.44 1.22 2.35 0.23 -3.07 115.58 117.19 2jps h ASN 95 Ca 0.00 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.23 2jps h ASN 95 Cb 1.17 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2jps h ASN 95 CO 0.12 1.20 -0.00 0.00 -1.65 0.00 0.00 177.43 177.10 2jps h ALA 96 N 0.80 1.05 -0.92 -0.83 0.00 -0.79 -2.73 119.26 115.85 2jps h ALA 96 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2jps h ALA 96 Cb 1.20 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2jps h ALA 96 CO 0.12 0.59 0.60 0.37 0.00 0.00 0.00 179.25 180.93 2jps h GLN 97 N 0.79 1.07 -0.81 0.00 4.15 -1.23 0.45 115.11 119.52 2jps h GLN 97 Ca 0.15 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.57 2jps h GLN 97 Cb 0.48 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 2jps h GLN 97 CO 0.02 0.71 0.53 1.03 -1.93 0.00 0.00 178.83 179.19 2jps h SER 98 N 1.10 0.79 -0.61 -0.69 0.87 -1.42 -2.57 113.55 111.01 2jps h SER 98 Ca 0.38 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.51 2jps h SER 98 Cb 0.10 -0.16 -0.30 0.00 -0.44 0.00 0.00 62.40 61.60 2jps h SER 98 CO -0.13 0.51 -0.43 0.18 -0.53 0.00 0.00 176.83 176.43 2jps n LEU 99 N -4.48 4.86 -3.18 2.23 4.77 -0.62 -4.87 117.00 115.71 2jps n LEU 99 Ca 0.12 -4.41 -0.09 0.00 -0.03 0.00 0.00 56.01 51.60 2jps n LEU 99 Cb 0.21 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2jps n LEU 99 CO 0.33 1.79 -0.02 -0.83 -1.33 0.00 0.00 177.39 177.33 2jps s GLY 100 N -3.14 -0.63 -0.29 -0.72 0.00 0.05 -5.02 107.32 97.58 2jps s GLY 100 Ca 0.50 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 2jps s GLY 100 CO 0.01 3.22 -0.01 1.62 0.00 0.00 0.00 173.10 177.94 2jps s GLN 101 N 1.32 2.55 -0.64 2.90 0.74 -1.26 -4.65 119.66 120.62 2jps s GLN 101 Ca 0.21 -1.19 -0.09 0.00 0.05 0.00 0.00 55.36 54.34 2jps s GLN 101 Cb -0.06 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.90 2jps s GLN 101 CO -0.06 -0.57 0.65 0.45 -0.55 0.00 0.00 175.29 175.21 2jps n SER 102 N 4.65 -6.84 -4.10 6.67 2.88 -1.26 -5.03 113.62 110.59 2jps n SER 102 Ca -0.14 -0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.14 2jps n SER 102 Cb 0.44 -3.98 -0.09 0.00 -0.75 0.00 0.00 64.21 59.83 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jps s ASP 103 N -2.69 0.24 0.13 -3.46 1.11 -1.26 -5.10 116.67 105.63 2jps s ASP 103 Ca 0.12 -1.36 0.00 0.00 0.18 0.00 0.00 52.55 51.48 2jps s ASP 103 Cb -0.02 0.42 0.00 0.00 1.07 0.00 0.00 42.92 44.39 2jps s ASP 103 CO 0.81 -0.90 0.00 -0.38 1.18 0.00 0.00 175.17 175.88 2jps n ILE 104 N -0.31 0.90 -0.00 0.77 5.41 -1.26 -5.20 119.36 119.66 2jps n ILE 104 Ca 0.02 0.30 0.00 0.00 1.00 0.00 0.00 62.75 64.07 2jps n ILE 104 Cb 0.65 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55