#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 -0.39 -4.03 7.83 3.41 -1.26 -5.10 113.62 114.07 2jps n SER 2 Ca 0.00 -2.09 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 2jps n SER 2 Cb 0.00 0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 2jps n SER 2 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2jps s GLN 3 N -2.66 2.98 -0.17 4.33 1.11 -1.26 -4.86 119.66 119.14 2jps s GLN 3 Ca 0.20 -3.30 -0.01 0.00 0.01 0.00 0.00 55.36 52.25 2jps s GLN 3 Cb 0.01 -3.76 -0.23 0.00 -1.01 0.00 0.00 33.01 28.02 2jps s GLN 3 CO 0.14 -1.27 0.15 0.39 0.01 0.00 0.00 175.29 174.71 2jps n GLU 4 N 2.20 0.71 -0.28 2.91 1.02 -1.26 -3.40 120.64 122.55 2jps n GLU 4 Ca 0.21 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 2jps n GLU 4 Cb 0.36 -1.64 0.38 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.04 0.67 -0.06 3.49 3.07 -1.99 0.62 115.11 120.95 2jps h GLN 5 Ca -0.48 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 58.00 2jps h GLN 5 Cb 1.99 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 29.41 2jps h GLN 5 CO 0.02 0.44 -0.87 1.88 0.09 0.00 0.00 178.83 180.40 2jps h TYR 6 N 0.69 0.79 -0.57 0.06 -1.99 -1.97 -2.08 116.97 111.91 2jps h TYR 6 Ca 0.46 -0.39 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 2jps h TYR 6 Cb 0.75 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 2jps h TYR 6 CO -0.00 1.20 -0.02 1.15 -0.00 0.00 0.00 178.16 180.49 2jps h THR 7 N 0.35 1.27 -0.37 -2.88 2.02 -0.79 0.88 112.91 113.38 2jps h THR 7 Ca -0.07 -1.15 -0.16 0.00 0.77 0.00 0.00 66.41 65.80 2jps h THR 7 Cb 1.49 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2jps h THR 7 CO 0.16 0.41 -0.38 -0.08 0.37 0.00 0.00 175.52 176.01 2jps h GLU 8 N 0.90 0.91 -0.03 6.66 4.57 0.10 0.13 114.58 127.81 2jps h GLU 8 Ca 0.16 -0.48 -0.23 0.00 -1.18 0.00 0.00 59.36 57.62 2jps h GLU 8 Cb 0.57 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2jps h GLU 8 CO 0.03 1.13 -0.93 -0.91 -1.18 0.00 0.00 179.01 177.16 2jps h ASN 9 N 0.72 0.72 -0.34 1.04 4.21 -1.25 -3.17 115.58 117.51 2jps h ASN 9 Ca 0.06 -0.54 -0.11 0.00 1.21 0.00 0.00 56.30 56.92 2jps h ASN 9 Cb 0.97 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 2jps h ASN 9 CO 0.09 1.34 -0.17 0.25 -1.29 0.00 0.00 177.43 177.65 2jps h LEU 10 N 0.34 0.80 -1.72 1.61 5.85 0.85 -2.68 115.31 120.36 2jps h LEU 10 Ca -0.09 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.39 2jps h LEU 10 Cb 1.56 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2jps h LEU 10 CO 0.17 0.97 0.23 0.50 -0.34 0.00 0.00 178.44 179.98 2jps h LYS 11 N 0.71 0.35 -0.03 1.25 3.64 -0.73 0.24 116.57 122.00 2jps h LYS 11 Ca 0.11 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 2jps h LYS 11 Cb 0.67 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2jps h LYS 11 CO 0.05 0.23 -0.58 0.28 -2.27 0.00 0.00 179.45 177.16 2jps h VAL 12 N 0.36 1.40 -0.31 2.00 2.07 -1.46 -2.40 116.25 117.92 2jps h VAL 12 Ca 0.14 -2.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 2jps h VAL 12 Cb 0.12 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2jps h VAL 12 CO -0.03 0.59 -0.18 0.40 0.02 0.00 0.00 177.57 178.37 2jps h ILE 13 N -0.02 1.25 -0.50 4.57 2.04 -1.11 -2.61 117.51 121.13 2jps h ILE 13 Ca -0.06 -1.17 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 2jps h ILE 13 Cb 1.27 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2jps h ILE 13 CO 0.12 0.38 -0.04 0.58 0.00 0.00 0.00 178.15 179.19 2jps h VAL 14 N 0.51 1.27 -0.46 1.67 2.07 -0.56 -2.74 116.25 118.01 2jps h VAL 14 Ca 0.08 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2jps h VAL 14 Cb 0.60 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2jps h VAL 14 CO 0.04 0.40 0.25 0.00 0.02 0.00 0.00 177.57 178.28 2jps h ALA 15 N 0.92 1.58 -0.88 1.67 0.00 -1.18 -2.12 119.26 119.25 2jps h ALA 15 Ca 0.14 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2jps h ALA 15 Cb 0.57 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2jps h ALA 15 CO 0.03 0.35 0.57 1.49 0.00 0.00 0.00 179.25 181.69 2jps h GLU 16 N 0.63 0.73 0.20 0.00 4.81 -1.15 0.50 114.58 120.30 2jps h GLU 16 Ca 0.16 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.05 2jps h GLU 16 Cb 0.02 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.26 2jps h GLU 16 CO -0.03 0.48 -1.37 0.87 -0.73 0.00 0.00 179.01 178.23 2jps h LYS 17 N 0.75 0.43 0.31 1.92 1.79 -1.45 -2.55 116.57 117.77 2jps h LYS 17 Ca 0.43 -0.74 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 2jps h LYS 17 Cb 0.61 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2jps h LYS 17 CO -0.19 1.35 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.31 2jps h LEU 18 N -0.03 -0.35 -1.73 2.94 3.38 -0.85 -1.25 115.31 117.42 2jps h LEU 18 Ca -0.25 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2jps h LEU 18 Cb 2.00 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2jps h LEU 18 CO 0.21 -0.10 0.23 0.00 0.09 0.00 0.00 178.44 178.87 2jps h ALA 19 N 0.02 1.89 -0.34 1.53 0.00 -0.16 -1.96 119.26 120.23 2jps h ALA 19 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2jps h ALA 19 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jps h ALA 19 CO 0.07 0.07 -0.35 0.78 0.00 0.00 0.00 179.25 179.82 2jps h GLY 20 N 0.35 0.85 -6.91 0.00 0.00 -1.12 -3.42 103.07 92.83 2jps h GLY 20 Ca 0.14 -0.83 -0.62 0.00 0.00 0.00 0.00 47.33 46.03 2jps h GLY 20 CO -0.03 0.75 1.45 1.39 0.00 0.00 0.00 176.54 180.10 2jps n ILE 21 N -4.06 0.31 0.36 2.60 5.41 -0.50 -4.82 119.36 118.66 2jps n ILE 21 Ca -0.01 -0.38 0.14 0.00 1.00 0.00 0.00 62.75 63.50 2jps n ILE 21 Cb 0.51 -2.24 0.53 0.00 -0.71 0.00 0.00 39.64 37.74 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 13.93 0.00 -0.75 0.38 0.13 -1.86 -3.16 132.00 140.68 2jps h PRO 22 Ca -0.37 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 2jps h PRO 22 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 2jps h PRO 22 CO 0.98 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.81 2jps n ASN 23 N -2.62 5.20 -4.83 1.44 4.13 -1.26 -5.00 115.26 112.31 2jps n ASN 23 Ca 0.02 -3.77 -0.37 0.00 1.68 0.00 0.00 54.58 52.14 2jps n ASN 23 Cb 0.30 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.84 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2jps s PHE 24 N -3.58 3.58 0.00 3.10 5.36 -1.20 -4.84 117.98 120.40 2jps s PHE 24 Ca 0.54 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2jps s PHE 24 Cb 0.45 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 2jps s PHE 24 CO 0.02 0.59 0.00 -1.71 -1.46 0.00 0.00 175.22 172.66 2jps n ASN 25 N 2.39 1.36 -0.53 6.13 5.15 -1.26 -5.05 115.26 123.45 2jps n ASN 25 Ca -0.17 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 2jps n ASN 25 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2jps n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jps n GLU 26 N -0.13 0.00 -2.58 1.20 -0.58 -1.26 -4.62 120.64 112.68 2jps n GLU 26 Ca 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 2jps n GLU 26 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2jps n GLU 26 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jps s ASP 27 N -4.00 7.40 -0.20 1.62 -1.08 -1.26 -4.97 116.67 114.19 2jps s ASP 27 Ca 0.00 2.14 0.09 0.00 -0.52 0.00 0.00 52.55 54.26 2jps s ASP 27 Cb 0.00 -2.62 -0.22 0.00 -1.46 0.00 0.00 42.92 38.62 2jps s ASP 27 CO 0.00 -0.04 0.05 0.00 0.52 0.00 0.00 175.17 175.70 2jps n ILE 28 N 1.39 1.49 0.13 4.11 0.00 -1.26 -3.49 119.36 121.72 2jps n ILE 28 Ca -0.01 -0.73 -0.23 0.00 0.00 0.00 0.00 62.75 61.78 2jps n ILE 28 Cb 0.46 -1.00 -0.15 0.00 0.00 0.00 0.00 39.64 38.95 2jps n ILE 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jps h LYS 29 N 0.01 0.54 0.00 9.51 3.64 -1.98 -3.20 116.57 125.10 2jps h LYS 29 Ca -0.52 -0.86 -0.10 0.00 -1.27 0.00 0.00 60.65 57.90 2jps h LYS 29 Cb 2.07 0.31 -0.01 0.00 -0.41 0.00 0.00 32.23 34.19 2jps h LYS 29 CO -0.00 1.41 -0.47 -0.92 -2.27 0.00 0.00 179.45 177.19 2jps h TYR 30 N 0.18 0.00 0.00 1.91 3.20 -1.99 -2.90 116.97 117.37 2jps h TYR 30 Ca -0.23 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 2jps h TYR 30 Cb 2.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.34 2jps h TYR 30 CO 0.12 0.47 -0.37 -0.24 -1.64 0.00 0.00 178.16 176.50 2jps h VAL 31 N 0.00 0.98 -0.22 1.81 3.04 -1.60 -3.02 116.25 117.23 2jps h VAL 31 Ca -0.00 -1.40 -0.18 0.00 -1.01 0.00 0.00 66.70 64.11 2jps h VAL 31 Cb 0.84 1.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2jps h VAL 31 CO 0.06 0.36 -0.58 0.00 -1.01 0.00 0.00 177.57 176.40 2jps h ALA 32 N 1.63 0.56 -0.61 3.17 0.00 -1.50 -2.42 119.26 120.10 2jps h ALA 32 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.41 2jps h ALA 32 Cb 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jps h ALA 32 CO 0.05 0.69 0.37 0.93 0.00 0.00 0.00 179.25 181.29 2jps h GLU 33 N 0.53 0.70 -0.68 0.00 5.08 -1.53 0.10 114.58 118.78 2jps h GLU 33 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2jps h GLU 33 Cb 1.16 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2jps h GLU 33 CO 0.12 0.46 0.16 -0.92 -1.00 0.00 0.00 179.01 177.83 2jps h TYR 34 N 0.72 1.15 -0.22 4.33 3.20 -1.52 0.95 116.97 125.57 2jps h TYR 34 Ca 0.25 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2jps h TYR 34 Cb 0.04 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 2jps h TYR 34 CO -0.06 0.94 0.14 0.82 -1.64 0.00 0.00 178.16 178.36 2jps h ILE 35 N 1.02 1.04 -0.79 1.81 2.04 -0.79 0.35 117.51 122.19 2jps h ILE 35 Ca 0.21 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2jps h ILE 35 Cb 0.38 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2jps h ILE 35 CO 0.00 0.05 0.35 0.58 0.00 0.00 0.00 178.15 179.14 2jps h VAL 36 N 0.28 1.25 -0.69 1.67 2.07 -0.54 -0.35 116.25 119.94 2jps h VAL 36 Ca 0.08 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2jps h VAL 36 Cb -0.02 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2jps h VAL 36 CO -0.03 0.31 0.42 0.25 0.02 0.00 0.00 177.57 178.54 2jps h LEU 37 N 1.13 0.66 -0.61 2.57 5.85 -0.11 0.42 115.31 125.22 2jps h LEU 37 Ca 0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2jps h LEU 37 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jps h LEU 37 CO -0.03 0.45 0.20 -0.07 -0.34 0.00 0.00 178.44 178.65 2jps h LEU 38 N 0.80 0.88 -0.16 2.25 3.38 -0.37 -0.92 115.31 121.17 2jps h LEU 38 Ca 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 38 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jps h LEU 38 CO -0.13 0.85 0.09 0.40 0.09 0.00 0.00 178.44 179.74 2jps h ILE 39 N 0.87 1.08 -0.37 1.22 1.08 0.18 -2.12 117.51 119.44 2jps h ILE 39 Ca 0.20 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2jps h ILE 39 Cb 0.27 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 2jps h ILE 39 CO -0.01 0.07 0.23 0.58 -0.69 0.00 0.00 178.15 178.34 2jps h VAL 40 N 0.17 1.10 -0.77 1.67 2.07 0.03 -2.08 116.25 118.44 2jps h VAL 40 Ca 0.06 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jps h VAL 40 Cb 0.04 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2jps h VAL 40 CO -0.01 0.11 0.51 0.78 0.02 0.00 0.00 177.57 178.97 2jps h ASN 41 N 0.51 0.85 0.00 0.57 2.35 -0.48 -3.45 115.58 115.93 2jps h ASN 41 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2jps h ASN 41 Cb -0.03 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2jps h ASN 41 CO -0.03 0.61 0.00 0.61 -1.65 0.00 0.00 177.43 176.97 2jps n GLY 42 N -1.42 -1.62 0.00 2.83 0.00 -0.79 -5.08 105.19 99.12 2jps n GLY 42 Ca 0.09 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.22 0.67 3.07 -0.02 0.00 -1.19 -4.98 105.19 101.53 2jps n GLY 43 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.24 2.64 0.43 2.61 -4.23 -1.26 -4.98 115.64 110.61 2jps s THR 44 Ca 0.00 -2.09 0.21 0.00 -1.18 0.00 0.00 61.69 58.63 2jps s THR 44 Cb 0.00 -2.82 0.41 0.00 1.34 0.00 0.00 72.50 71.43 2jps s THR 44 CO 0.00 -0.52 1.80 0.58 -0.54 0.00 0.00 174.62 175.95 2jps h VAL 45 N 6.54 0.55 0.22 2.29 2.07 -1.96 0.95 116.25 126.91 2jps h VAL 45 Ca -0.10 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 45 Cb 1.03 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jps h VAL 45 CO 0.57 0.06 -0.11 -0.33 0.02 0.00 0.00 177.57 177.78 2jps h GLU 46 N 0.33 -0.29 -0.04 1.57 3.07 -1.98 0.51 114.58 117.75 2jps h GLU 46 Ca 0.55 0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.30 2jps h GLU 46 Cb 1.52 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.48 2jps h GLU 46 CO -0.21 0.07 -0.57 1.03 -1.40 0.00 0.00 179.01 177.93 2jps h SER 47 N -0.74 0.14 -0.16 1.42 0.87 -1.81 -1.56 113.55 111.71 2jps h SER 47 Ca -0.03 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.23 2jps h SER 47 Cb 0.50 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2jps h SER 47 CO 0.05 0.68 -0.78 0.58 -0.53 0.00 0.00 176.83 176.83 2jps h VAL 48 N 0.09 1.27 -0.28 2.23 2.07 0.92 -2.92 116.25 119.63 2jps h VAL 48 Ca -0.00 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.39 2jps h VAL 48 Cb 1.03 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2jps h VAL 48 CO 0.08 0.63 -0.45 0.58 0.02 0.00 0.00 177.57 178.43 2jps h VAL 49 N 0.54 1.29 -0.47 2.57 2.07 0.09 -2.86 116.25 119.50 2jps h VAL 49 Ca -0.05 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 65.87 2jps h VAL 49 Cb 1.41 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2jps h VAL 49 CO 0.16 0.53 0.31 -0.78 0.02 0.00 0.00 177.57 177.81 2jps h ASP 50 N 0.58 0.43 -0.48 0.57 1.82 -1.28 -0.27 116.42 117.78 2jps h ASP 50 Ca 0.04 -0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.55 2jps h ASP 50 Cb 1.00 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2jps h ASP 50 CO 0.09 0.30 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.53 2jps h GLU 51 N 0.50 0.96 -0.22 0.28 3.07 -1.31 -0.18 114.58 117.69 2jps h GLU 51 Ca 0.19 -0.39 -0.20 0.00 -0.50 0.00 0.00 59.36 58.46 2jps h GLU 51 Cb 0.13 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2jps h GLU 51 CO -0.05 1.05 -0.66 -0.07 -1.40 0.00 0.00 179.01 177.89 2jps h LEU 52 N 0.81 0.96 -0.98 1.33 -0.00 -1.33 -3.09 115.31 113.01 2jps h LEU 52 Ca 0.12 -0.58 -0.06 0.00 -0.00 0.00 0.00 57.88 57.35 2jps h LEU 52 Cb 0.73 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2jps h LEU 52 CO 0.06 1.38 0.06 0.00 -0.00 0.00 0.00 178.44 179.93 2jps h ALA 53 N 0.61 1.16 -0.73 1.53 0.00 -0.99 1.09 119.26 121.93 2jps h ALA 53 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jps h ALA 53 Cb 1.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2jps h ALA 53 CO 0.14 0.55 0.48 1.03 0.00 0.00 0.00 179.25 181.46 2jps h SER 54 N 0.76 0.78 0.03 0.00 0.87 -0.95 -2.61 113.55 112.44 2jps h SER 54 Ca 0.16 -0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.32 2jps h SER 54 Cb 0.37 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2jps h SER 54 CO 0.01 0.54 -2.33 0.18 -0.53 0.00 0.00 176.83 174.71 2jps n LEU 55 N -4.45 2.80 -3.92 2.23 4.77 -1.00 -4.65 117.00 112.79 2jps n LEU 55 Ca 0.09 -0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 2jps n LEU 55 Cb 0.10 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 2jps n LEU 55 CO 0.35 0.88 0.53 0.49 -1.33 0.00 0.00 177.39 178.31 2jps n PHE 56 N -3.41 3.58 -1.17 -1.77 3.72 0.37 -4.85 117.46 113.94 2jps n PHE 56 Ca -0.42 -3.69 -0.16 0.00 -0.05 0.00 0.00 57.45 53.13 2jps n PHE 56 Cb 0.99 -1.06 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 1.67 4.13 -0.07 4.37 -0.08 -0.99 -4.33 116.55 121.25 2jps n ASP 57 Ca 0.25 -3.47 -0.15 0.00 -1.51 0.00 0.00 54.79 49.91 2jps n ASP 57 Cb 0.37 -0.80 -0.14 0.00 2.34 0.00 0.00 41.12 42.90 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 -0.76 1.30 -4.90 1.67 2.88 -1.26 -4.95 113.62 107.60 2jps n SER 58 Ca 0.52 0.07 -0.28 0.00 -1.33 0.00 0.00 58.87 57.84 2jps n SER 58 Cb 1.54 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 64.91 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 4.92 0.27 2.46 0.11 -1.26 -5.01 120.40 119.35 2jps s VAL 59 Ca -0.20 0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.80 2jps s VAL 59 Cb 0.07 -3.78 -0.14 0.00 -1.53 0.00 0.00 36.38 31.00 2jps s VAL 59 CO 0.74 -0.56 1.16 -1.54 -3.33 0.00 0.00 175.10 171.56 2jps n SER 60 N -1.52 1.87 -0.23 3.54 3.41 -1.26 -4.84 113.62 114.60 2jps n SER 60 Ca 0.00 1.17 0.19 0.00 -0.26 0.00 0.00 58.87 59.97 2jps n SER 60 Cb 0.54 -1.34 0.51 0.00 -0.26 0.00 0.00 64.21 63.67 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 2.70 0.39 -0.88 4.33 3.08 -1.95 -0.46 114.38 121.59 2jps h ARG 61 Ca -0.42 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.67 2jps h ARG 61 Cb 1.32 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.22 2jps h ARG 61 CO 0.65 0.26 0.58 0.22 -1.07 0.00 0.00 179.97 180.60 2jps h ASP 62 N 0.40 0.88 -0.60 7.04 1.82 -1.99 -0.25 116.42 123.72 2jps h ASP 62 Ca 0.45 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 57.04 2jps h ASP 62 Cb 1.13 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 2jps h ASP 62 CO -0.17 0.57 0.14 0.74 -1.61 0.00 0.00 179.24 178.91 2jps h THR 63 N 1.00 1.25 -0.25 2.25 2.02 -1.42 -0.98 112.91 116.78 2jps h THR 63 Ca 0.38 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2jps h THR 63 Cb 0.20 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2jps h THR 63 CO -0.14 0.34 -0.06 -0.07 0.37 0.00 0.00 175.52 175.97 2jps h LEU 64 N 0.88 0.48 -1.53 2.58 4.07 -1.34 -2.83 115.31 117.63 2jps h LEU 64 Ca 0.19 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 57.82 2jps h LEU 64 Cb 0.36 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 2jps h LEU 64 CO 0.00 0.73 0.36 0.00 -1.08 0.00 0.00 178.44 178.46 2jps h ALA 65 N 0.77 1.74 -0.95 1.53 0.00 -0.91 -1.87 119.26 119.56 2jps h ALA 65 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jps h ALA 65 Cb 0.52 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2jps h ALA 65 CO 0.02 0.20 0.62 -0.91 0.00 0.00 0.00 179.25 179.19 2jps h ASN 66 N 0.62 1.05 -0.06 0.00 2.35 -0.92 0.20 115.58 118.81 2jps h ASN 66 Ca 0.22 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.77 2jps h ASN 66 Cb 0.11 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2jps h ASN 66 CO -0.06 0.73 -0.62 0.58 -1.65 0.00 0.00 177.43 176.41 2jps h VAL 67 N 1.22 1.31 -0.18 2.81 2.07 -1.31 -2.56 116.25 119.60 2jps h VAL 67 Ca 0.37 -1.86 -0.12 0.00 0.82 0.00 0.00 66.70 65.91 2jps h VAL 67 Cb -0.03 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2jps h VAL 67 CO -0.11 0.59 -0.39 0.58 0.02 0.00 0.00 177.57 178.26 2jps h VAL 68 N 0.50 1.30 -0.26 2.57 2.07 -1.07 -2.86 116.25 118.50 2jps h VAL 68 Ca -0.01 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 2jps h VAL 68 Cb 1.21 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2jps h VAL 68 CO 0.12 0.47 0.05 -0.61 0.02 0.00 0.00 177.57 177.62 2jps h GLN 69 N 0.35 0.43 0.00 1.57 4.15 -0.50 -2.23 115.11 118.87 2jps h GLN 69 Ca 0.03 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 2jps h GLN 69 Cb 0.84 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 2jps h GLN 69 CO 0.07 0.53 -0.08 0.00 -1.93 0.00 0.00 178.83 177.42 2jps h THR 70 N 0.25 1.03 -0.16 2.39 1.03 -1.40 -1.12 112.91 114.94 2jps h THR 70 Ca 0.08 -0.28 -0.17 0.00 -0.01 0.00 0.00 66.41 66.02 2jps h THR 70 Cb 0.31 1.15 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2jps h THR 70 CO 0.00 0.08 -0.62 0.00 -0.01 0.00 0.00 175.52 174.97 2jps h ALA 71 N 1.92 0.62 -0.00 0.00 0.00 -1.24 0.24 119.26 120.79 2jps h ALA 71 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 71 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jps h ALA 71 CO 0.01 0.71 -0.00 0.74 0.00 0.00 0.00 179.25 180.71 2jps h PHE 72 N 0.41 0.01 -0.87 0.00 -1.00 -0.73 -1.52 116.94 113.25 2jps h PHE 72 Ca -0.01 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2jps h PHE 72 Cb 1.18 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 2jps h PHE 72 CO 0.05 0.38 0.44 0.35 -1.61 0.00 0.00 178.31 177.92 2jps h PHE 73 N -0.36 1.23 -0.85 -0.55 3.57 -1.24 -2.19 116.94 116.55 2jps h PHE 73 Ca 0.00 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2jps h PHE 73 Cb 0.37 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 2jps h PHE 73 CO 0.05 0.87 0.56 0.00 -2.23 0.00 0.00 178.31 177.56 2jps h ALA 74 N 1.24 1.49 -0.99 2.41 0.00 -0.36 -1.70 119.26 121.35 2jps h ALA 74 Ca 0.30 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2jps h ALA 74 Cb 0.08 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 2jps h ALA 74 CO -0.04 0.42 0.63 -0.07 0.00 0.00 0.00 179.25 180.19 2jps h LEU 75 N 1.04 0.99 -0.31 0.00 -0.00 -0.61 0.37 115.31 116.79 2jps h LEU 75 Ca 0.34 0.02 -0.14 0.00 -0.00 0.00 0.00 57.88 58.10 2jps h LEU 75 Cb 0.07 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2jps h LEU 75 CO -0.11 0.60 -0.37 -0.33 -0.00 0.00 0.00 178.44 178.23 2jps h GLU 76 N 1.10 0.80 -0.48 1.13 5.08 -1.31 -2.53 114.58 118.37 2jps h GLU 76 Ca 0.45 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2jps h GLU 76 Cb 0.27 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jps h GLU 76 CO -0.20 1.08 -0.06 0.00 -1.00 0.00 0.00 179.01 178.82 2jps h ALA 77 N 0.71 0.99 -0.75 3.43 0.00 -0.74 -2.79 119.26 120.11 2jps h ALA 77 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 77 Cb 0.96 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 77 CO 0.09 0.61 0.28 1.25 0.00 0.00 0.00 179.25 181.48 2jps h LEU 78 N 0.77 1.03 -1.66 0.00 7.12 -0.21 -2.30 115.31 120.06 2jps h LEU 78 Ca 0.14 -0.16 0.06 0.00 0.13 0.00 0.00 57.88 58.04 2jps h LEU 78 Cb 0.55 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.38 2jps h LEU 78 CO 0.03 0.93 0.33 1.56 -0.13 0.00 0.00 178.44 181.15 2jps h GLN 79 N 1.09 0.41 0.13 1.25 4.20 -1.17 -3.09 115.11 117.92 2jps h GLN 79 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2jps h GLN 79 Cb 0.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2jps h GLN 79 CO -0.02 0.27 -0.06 0.37 -0.67 0.00 0.00 178.83 178.72 2jps h GLN 80 N 0.42 -0.16 0.00 1.46 4.15 -1.38 -3.49 115.11 116.10 2jps h GLN 80 Ca 0.21 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2jps h GLN 80 Cb 0.30 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2jps h GLN 80 CO -0.05 0.08 0.00 0.41 -1.93 0.00 0.00 178.83 177.34 2jps n GLY 81 N 1.22 -0.21 3.81 2.39 0.00 -0.98 -5.15 105.19 106.28 2jps n GLY 81 Ca -0.04 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 2.22 -0.08 1.61 2.02 -1.24 -5.05 118.70 118.18 2jps s GLU 82 Ca 0.00 -2.26 0.03 0.00 0.02 0.00 0.00 54.97 52.77 2jps s GLU 82 Cb 0.00 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 2jps s GLU 82 CO 0.00 -0.44 -0.18 -1.54 0.02 0.00 0.00 175.26 173.12 2jps s SER 83 N -4.02 3.69 -0.17 -0.19 1.04 -1.26 -4.99 113.70 107.80 2jps s SER 83 Ca 0.16 -0.34 0.13 0.00 0.48 0.00 0.00 55.95 56.37 2jps s SER 83 Cb 0.00 -1.07 -0.23 0.00 0.10 0.00 0.00 66.02 64.82 2jps s SER 83 CO 0.10 0.26 0.16 0.00 0.98 0.00 0.00 173.24 174.74 2jps n ALA 84 N 2.89 1.45 -0.26 5.32 0.00 -1.26 -4.35 120.51 124.29 2jps n ALA 84 Ca -0.18 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.21 2jps n ALA 84 Cb 0.52 -0.34 0.32 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 0.00 0.80 -0.88 0.00 4.57 -1.95 -1.30 114.58 115.83 2jps h GLU 85 Ca -0.49 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 57.70 2jps h GLU 85 Cb 2.13 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 30.48 2jps h GLU 85 CO 0.02 0.53 0.57 -0.91 -1.18 0.00 0.00 179.01 178.05 2jps h ASN 86 N 0.83 0.88 -0.56 1.04 4.21 -2.02 -1.37 115.58 118.58 2jps h ASN 86 Ca 0.40 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.88 2jps h ASN 86 Cb 0.43 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 2jps h ASN 86 CO -0.16 0.57 0.24 0.40 -1.29 0.00 0.00 177.43 177.18 2jps h ILE 87 N 1.00 1.21 -0.84 2.81 2.04 -1.46 -2.47 117.51 119.80 2jps h ILE 87 Ca 0.37 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2jps h ILE 87 Cb 0.19 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2jps h ILE 87 CO -0.13 0.27 0.55 0.58 0.00 0.00 0.00 178.15 179.42 2jps h VAL 88 N 0.86 1.15 -0.87 1.67 2.07 -1.21 -1.83 116.25 118.09 2jps h VAL 88 Ca 0.20 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2jps h VAL 88 Cb 0.17 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 2jps h VAL 88 CO -0.02 0.19 0.55 0.28 0.02 0.00 0.00 177.57 178.59 2jps h SER 89 N 1.06 0.88 0.15 0.57 0.02 -1.37 0.15 113.55 115.01 2jps h SER 89 Ca 0.33 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2jps h SER 89 Cb -0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2jps h SER 89 CO -0.09 0.57 -0.43 0.50 -1.14 0.00 0.00 176.83 176.24 2jps h LYS 90 N 1.01 0.35 -0.26 3.45 3.64 -1.38 -2.49 116.57 120.90 2jps h LYS 90 Ca 0.37 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 2jps h LYS 90 Cb 0.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2jps h LYS 90 CO -0.16 0.72 -0.57 0.82 -2.27 0.00 0.00 179.45 177.99 2jps h ILE 91 N 0.29 1.28 -0.66 2.00 1.08 -0.57 -0.95 117.51 119.98 2jps h ILE 91 Ca 0.02 -1.77 -0.06 0.00 -0.39 0.00 0.00 64.86 62.66 2jps h ILE 91 Cb 0.88 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2jps h ILE 91 CO 0.07 0.57 0.17 0.03 -0.69 0.00 0.00 178.15 178.30 2jps h ARG 92 N 0.61 1.05 -0.20 2.37 3.08 -0.66 0.34 114.38 120.96 2jps h ARG 92 Ca 0.01 -0.24 -0.21 0.00 0.07 0.00 0.00 59.98 59.61 2jps h ARG 92 Cb 1.16 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.08 2jps h ARG 92 CO 0.12 0.92 -0.69 1.98 -1.07 0.00 0.00 179.97 181.23 2jps h MET 93 N 1.00 0.81 -0.27 0.04 4.05 -1.38 -1.91 114.93 117.26 2jps h MET 93 Ca 0.21 -0.60 -0.14 0.00 -0.28 0.00 0.00 59.70 58.89 2jps h MET 93 Cb 0.34 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2jps h MET 93 CO -0.00 1.22 -0.40 1.98 0.23 0.00 0.00 176.91 179.94 2jps h MET 94 N 0.58 0.65 -0.31 0.39 4.05 -0.92 -1.70 114.93 117.68 2jps h MET 94 Ca -0.03 -0.33 -0.14 0.00 -0.28 0.00 0.00 59.70 58.92 2jps h MET 94 Cb 1.31 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 2jps h MET 94 CO 0.14 0.94 -0.36 -0.91 0.23 0.00 0.00 176.91 176.95 2jps h ASN 95 N 0.54 0.75 -0.37 1.39 2.35 -0.30 -1.16 115.58 118.77 2jps h ASN 95 Ca 0.05 -0.32 -0.16 0.00 -0.55 0.00 0.00 56.30 55.31 2jps h ASN 95 Cb 0.92 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2jps h ASN 95 CO 0.08 1.04 -0.40 0.00 -1.65 0.00 0.00 177.43 176.50 2jps h ALA 96 N 1.00 0.57 -0.41 -0.83 0.00 -1.24 -2.45 119.26 115.90 2jps h ALA 96 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2jps h ALA 96 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 96 CO 0.08 0.68 -0.23 0.37 0.00 0.00 0.00 179.25 180.14 2jps h GLN 97 N 0.75 0.84 -0.22 0.00 4.15 -1.22 -1.10 115.11 118.31 2jps h GLN 97 Ca 0.06 -0.35 -0.07 0.00 0.77 0.00 0.00 58.65 59.05 2jps h GLN 97 Cb 1.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2jps h GLN 97 CO 0.10 0.99 -0.17 0.77 -1.93 0.00 0.00 178.83 178.58 2jps h SER 98 N 0.73 0.36 0.29 -0.69 0.02 -1.13 -3.10 113.55 110.03 2jps h SER 98 Ca 0.10 -0.10 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2jps h SER 98 Cb 0.77 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.24 2jps h SER 98 CO 0.06 0.56 -1.50 0.25 -1.14 0.00 0.00 176.83 175.06 2jps h LEU 99 N 0.34 0.78 0.00 5.07 6.46 -1.25 -3.49 115.31 123.23 2jps h LEU 99 Ca 0.06 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 56.96 2jps h LEU 99 Cb 0.51 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2jps h LEU 99 CO 0.03 1.69 0.00 0.61 -0.62 0.00 0.00 178.44 180.15 2jps n GLY 100 N 1.72 0.63 2.65 3.75 0.00 -0.44 -5.12 105.19 108.38 2jps n GLY 100 Ca -0.17 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.51 -1.19 1.61 0.74 -1.09 -4.93 119.66 115.31 2jps s GLN 101 Ca 0.00 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.47 2jps s GLN 101 Cb 0.00 -0.92 -0.02 0.00 1.10 0.00 0.00 33.01 33.17 2jps s GLN 101 CO 0.00 -1.15 0.76 0.45 -0.55 0.00 0.00 175.29 174.80 2jps n SER 102 N 4.48 -3.95 -4.06 6.67 2.88 -1.26 -4.69 113.62 113.68 2jps n SER 102 Ca 0.07 -0.90 -0.33 0.00 -1.33 0.00 0.00 58.87 56.37 2jps n SER 102 Cb 0.43 -3.89 -0.13 0.00 -0.75 0.00 0.00 64.21 59.87 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jps s ASP 103 N -3.79 4.96 -0.54 -3.46 -1.08 -1.26 -5.01 116.67 106.50 2jps s ASP 103 Ca 0.30 -2.26 0.05 0.00 -0.52 0.00 0.00 52.55 50.12 2jps s ASP 103 Cb -0.09 -1.73 0.19 0.00 -1.46 0.00 0.00 42.92 39.83 2jps s ASP 103 CO 0.83 -0.43 0.48 -0.38 0.52 0.00 0.00 175.17 176.18 2jps n ILE 104 N 4.21 0.30 -0.92 4.11 5.41 -1.26 -5.14 119.36 126.06 2jps n ILE 104 Ca 0.02 -4.24 0.00 0.00 1.00 0.00 0.00 62.75 59.53 2jps n ILE 104 Cb 0.40 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55