#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 0.52 -0.45 6.12 1.04 -1.26 -5.07 113.70 114.60 2jps s SER 2 Ca 0.00 -1.40 0.04 0.00 0.48 0.00 0.00 55.95 55.07 2jps s SER 2 Cb 0.00 0.32 0.43 0.00 0.10 0.00 0.00 66.02 66.87 2jps s SER 2 CO 0.00 -0.81 1.39 0.00 0.98 0.00 0.00 173.24 174.79 2jps n GLN 3 N -0.34 3.33 -0.31 4.02 3.00 -1.26 -4.79 117.38 121.02 2jps n GLN 3 Ca 0.02 -4.07 -0.00 0.00 -0.01 0.00 0.00 57.00 52.93 2jps n GLN 3 Cb 0.66 -2.27 0.18 0.00 0.00 0.00 0.00 30.24 28.81 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2jps h GLU 4 N 2.36 1.16 -0.88 -1.09 4.22 -1.98 -1.50 114.58 116.87 2jps h GLU 4 Ca 0.41 -0.07 0.12 0.00 0.08 0.00 0.00 59.36 59.90 2jps h GLU 4 Cb 1.07 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 2jps h GLU 4 CO 0.99 0.77 0.57 -0.56 -2.18 0.00 0.00 179.01 178.59 2jps h GLN 5 N 1.19 0.76 -0.09 1.92 3.07 -2.00 0.31 115.11 120.26 2jps h GLN 5 Ca 0.34 -0.05 -0.23 0.00 0.09 0.00 0.00 58.65 58.80 2jps h GLN 5 Cb -0.10 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 27.30 2jps h GLN 5 CO -0.08 0.50 -0.85 1.88 0.09 0.00 0.00 178.83 180.37 2jps h TYR 6 N 0.78 0.95 -0.82 0.06 -1.99 -1.71 -2.71 116.97 111.54 2jps h TYR 6 Ca 0.43 -0.45 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2jps h TYR 6 Cb 0.56 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 2jps h TYR 6 CO -0.00 1.28 0.46 1.15 -0.00 0.00 0.00 178.16 181.05 2jps h THR 7 N 0.44 1.24 -0.52 -2.88 2.02 -0.02 0.85 112.91 114.05 2jps h THR 7 Ca -0.07 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 2jps h THR 7 Cb 1.48 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2jps h THR 7 CO 0.17 0.26 -0.06 -0.08 0.37 0.00 0.00 175.52 176.17 2jps h GLU 8 N 1.13 0.95 -0.10 6.66 4.81 -0.49 0.38 114.58 127.93 2jps h GLU 8 Ca 0.29 -0.34 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 2jps h GLU 8 Cb 0.01 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.33 2jps h GLU 8 CO -0.05 1.00 -0.87 -0.91 -0.73 0.00 0.00 179.01 177.45 2jps h ASN 9 N 0.82 0.94 -0.38 1.04 4.21 -1.13 -3.12 115.58 117.95 2jps h ASN 9 Ca 0.14 -0.66 -0.09 0.00 1.21 0.00 0.00 56.30 56.89 2jps h ASN 9 Cb 0.61 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 2jps h ASN 9 CO 0.04 1.47 -0.09 0.25 -1.29 0.00 0.00 177.43 177.80 2jps h LEU 10 N 0.50 0.81 -1.73 1.61 5.85 0.83 -2.62 115.31 120.57 2jps h LEU 10 Ca -0.08 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2jps h LEU 10 Cb 1.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2jps h LEU 10 CO 0.18 0.93 0.25 0.11 -0.34 0.00 0.00 178.44 179.57 2jps h LYS 11 N 0.75 0.34 -0.09 1.25 1.57 -0.20 0.13 116.57 120.32 2jps h LYS 11 Ca 0.13 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 2jps h LYS 11 Cb 0.58 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2jps h LYS 11 CO 0.04 0.23 -0.61 0.28 -0.57 0.00 0.00 179.45 178.81 2jps h VAL 12 N 0.35 1.35 -0.23 0.50 2.07 -1.41 -1.71 116.25 117.17 2jps h VAL 12 Ca 0.16 -1.92 -0.12 0.00 0.82 0.00 0.00 66.70 65.64 2jps h VAL 12 Cb 0.18 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2jps h VAL 12 CO -0.03 0.58 -0.35 0.40 0.02 0.00 0.00 177.57 178.19 2jps h ILE 13 N 0.18 1.29 -0.33 4.57 2.04 -1.18 -2.59 117.51 121.49 2jps h ILE 13 Ca -0.05 -1.45 -0.18 0.00 1.00 0.00 0.00 64.86 64.18 2jps h ILE 13 Cb 1.26 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2jps h ILE 13 CO 0.12 0.46 -0.48 0.58 0.00 0.00 0.00 178.15 178.83 2jps h VAL 14 N 0.42 1.27 -0.63 1.67 2.07 -0.77 -3.00 116.25 117.28 2jps h VAL 14 Ca 0.05 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2jps h VAL 14 Cb 0.81 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2jps h VAL 14 CO 0.07 0.55 0.40 0.00 0.02 0.00 0.00 177.57 178.60 2jps h ALA 15 N 0.72 1.52 -0.87 1.67 0.00 -1.16 -1.94 119.26 119.19 2jps h ALA 15 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2jps h ALA 15 Cb 1.09 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 15 CO 0.11 0.43 0.56 1.49 0.00 0.00 0.00 179.25 181.85 2jps h GLU 16 N 0.86 0.72 0.13 0.00 4.81 -1.32 0.39 114.58 120.17 2jps h GLU 16 Ca 0.23 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.16 2jps h GLU 16 Cb -0.07 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.18 2jps h GLU 16 CO -0.05 0.47 -1.08 -0.22 -0.73 0.00 0.00 179.01 177.41 2jps h LYS 17 N 0.74 0.51 0.34 1.92 3.11 -1.43 -2.35 116.57 119.41 2jps h LYS 17 Ca 0.42 -0.71 -0.02 0.00 -2.81 0.00 0.00 60.65 57.53 2jps h LYS 17 Cb 0.60 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2jps h LYS 17 CO -0.19 1.32 -0.17 -0.07 -2.81 0.00 0.00 179.45 177.53 2jps h LEU 18 N 0.04 -0.39 -1.82 5.20 3.38 -0.90 -1.38 115.31 119.44 2jps h LEU 18 Ca -0.17 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.77 2jps h LEU 18 Cb 1.80 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2jps h LEU 18 CO 0.21 -0.11 0.29 0.00 0.09 0.00 0.00 178.44 178.92 2jps h ALA 19 N -0.12 2.11 -0.13 1.53 0.00 -0.38 -1.48 119.26 120.79 2jps h ALA 19 Ca -0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2jps h ALA 19 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jps h ALA 19 CO 0.08 -0.20 -0.61 0.78 0.00 0.00 0.00 179.25 179.30 2jps h GLY 20 N 0.22 0.49 -4.87 0.00 0.00 -1.09 -3.44 103.07 94.38 2jps h GLY 20 Ca 0.19 -0.60 -0.53 0.00 0.00 0.00 0.00 47.33 46.39 2jps h GLY 20 CO -0.03 0.54 1.05 -0.42 0.00 0.00 0.00 176.54 177.67 2jps s ILE 21 N -3.85 2.51 0.15 2.60 1.01 -0.55 -4.89 121.20 118.18 2jps s ILE 21 Ca -0.06 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 2jps s ILE 21 Cb 0.11 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.38 2jps s ILE 21 CO 0.83 0.00 1.41 1.55 0.00 0.00 0.00 174.94 178.74 2jps h PRO 22 N 7.96 0.65 -0.95 2.79 0.13 -1.86 -3.19 132.00 137.53 2jps h PRO 22 Ca -0.44 -0.47 0.08 0.00 -0.87 0.00 0.00 66.00 64.30 2jps h PRO 22 Cb 1.21 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 2jps h PRO 22 CO 0.94 1.09 0.61 -0.91 -0.23 0.00 0.00 178.00 179.50 2jps h ASN 23 N 0.47 0.92 -2.48 1.44 4.21 -1.95 -3.41 115.58 114.78 2jps h ASN 23 Ca -0.02 0.02 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 2jps h ASN 23 Cb 1.25 -0.17 0.04 0.00 -1.12 0.00 0.00 38.32 38.31 2jps h ASN 23 CO 0.13 0.56 1.15 -0.36 -1.29 0.00 0.00 177.43 177.62 2jps s PHE 24 N -5.92 1.92 -0.07 1.19 0.08 -1.21 -4.88 117.98 109.09 2jps s PHE 24 Ca -0.12 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 2jps s PHE 24 Cb 0.21 -4.21 -0.04 0.00 -0.57 0.00 0.00 43.02 38.40 2jps s PHE 24 CO 0.80 -5.12 -0.16 -1.71 -0.10 0.00 0.00 175.22 168.94 2jps n ASN 25 N 6.11 1.19 -4.58 1.36 5.15 -1.26 -4.98 115.26 118.24 2jps n ASN 25 Ca 0.18 0.19 -0.32 0.00 -0.60 0.00 0.00 54.58 54.04 2jps n ASN 25 Cb 0.39 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 39.12 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 -2.32 2.16 -1.34 1.20 2.02 -1.26 -4.83 118.70 114.33 2jps s GLU 26 Ca -0.15 -2.38 -0.01 0.00 0.02 0.00 0.00 54.97 52.44 2jps s GLU 26 Cb 0.04 -1.26 0.01 0.00 0.10 0.00 0.00 34.13 33.02 2jps s GLU 26 CO 0.21 -0.44 0.67 -0.25 0.02 0.00 0.00 175.26 175.47 2jps n ASP 27 N -1.34 -1.28 -0.10 -0.19 9.92 -1.26 -4.91 116.55 117.39 2jps n ASP 27 Ca -0.17 -0.85 -0.11 0.00 -0.53 0.00 0.00 54.79 53.13 2jps n ASP 27 Cb 0.66 -3.85 -0.15 0.00 -0.64 0.00 0.00 41.12 37.14 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 -4.33 1.36 0.07 0.53 0.00 -1.26 -3.44 119.36 112.29 2jps n ILE 28 Ca -0.27 -0.80 -0.20 0.00 0.00 0.00 0.00 62.75 61.48 2jps n ILE 28 Cb 0.67 -0.58 -0.15 0.00 0.00 0.00 0.00 39.64 39.58 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 0.32 -0.01 9.51 6.56 -1.97 -3.20 116.57 127.78 2jps h LYS 29 Ca -0.54 -0.54 -0.14 0.00 -1.06 0.00 0.00 60.65 58.38 2jps h LYS 29 Cb 2.18 0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 34.02 2jps h LYS 29 CO 0.02 1.20 -0.64 1.88 -2.06 0.00 0.00 179.45 179.85 2jps h TYR 30 N 0.09 0.03 -0.25 -1.35 0.05 -1.98 -3.11 116.97 110.45 2jps h TYR 30 Ca -0.29 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.35 2jps h TYR 30 Cb 2.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.78 2jps h TYR 30 CO 0.08 0.65 -0.37 -0.24 -1.05 0.00 0.00 178.16 177.23 2jps h VAL 31 N 0.02 1.29 -0.75 -2.88 3.04 -1.66 -2.97 116.25 112.34 2jps h VAL 31 Ca -0.01 -1.52 -0.03 0.00 -1.01 0.00 0.00 66.70 64.14 2jps h VAL 31 Cb 1.13 1.51 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 2jps h VAL 31 CO 0.08 0.48 0.35 0.00 -1.01 0.00 0.00 177.57 177.47 2jps h ALA 32 N 1.12 1.19 -0.24 3.17 0.00 -1.53 -1.36 119.26 121.61 2jps h ALA 32 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jps h ALA 32 Cb 0.86 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2jps h ALA 32 CO 0.07 0.61 0.14 0.93 0.00 0.00 0.00 179.25 181.00 2jps h GLU 33 N 1.07 0.29 -0.83 0.00 5.08 -1.52 0.42 114.58 119.09 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 0.13 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2jps h GLU 33 CO -0.03 0.19 0.42 -0.92 -1.00 0.00 0.00 179.01 177.67 2jps h TYR 34 N 0.30 1.16 -0.16 4.33 3.20 -1.42 0.27 116.97 124.65 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 -0.01 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.08 0.82 0.10 0.82 -1.64 0.00 0.00 178.16 178.18 2jps h ILE 35 N 1.17 1.06 -0.71 1.81 2.04 -0.52 0.13 117.51 122.48 2jps h ILE 35 Ca 0.29 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 2jps h ILE 35 Cb 0.07 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2jps h ILE 35 CO -0.04 0.05 0.26 0.58 0.00 0.00 0.00 178.15 179.00 2jps h VAL 36 N 0.20 1.25 -0.75 1.67 2.07 -0.48 -0.89 116.25 119.32 2jps h VAL 36 Ca 0.06 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.82 2jps h VAL 36 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2jps h VAL 36 CO -0.01 0.32 0.44 0.25 0.02 0.00 0.00 177.57 178.60 2jps h LEU 37 N 1.02 0.69 -0.59 2.57 5.85 0.16 0.42 115.31 125.43 2jps h LEU 37 Ca 0.23 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2jps h LEU 37 Cb 0.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2jps h LEU 37 CO -0.02 0.45 0.24 -0.07 -0.34 0.00 0.00 178.44 178.70 2jps h LEU 38 N 0.82 0.80 -0.12 2.25 3.38 -0.22 0.12 115.31 122.34 2jps h LEU 38 Ca 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jps h LEU 38 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jps h LEU 38 CO -0.17 0.75 0.08 0.40 0.09 0.00 0.00 178.44 179.59 2jps h ILE 39 N 0.81 1.04 -0.62 1.22 1.08 0.25 -2.14 117.51 119.15 2jps h ILE 39 Ca 0.20 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 2jps h ILE 39 Cb 0.19 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2jps h ILE 39 CO -0.02 0.04 0.30 0.58 -0.69 0.00 0.00 178.15 178.36 2jps h VAL 40 N 0.15 1.20 -0.84 1.67 2.07 0.07 -2.32 116.25 118.25 2jps h VAL 40 Ca 0.04 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.06 2jps h VAL 40 Cb -0.00 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2jps h VAL 40 CO -0.01 0.24 0.55 0.78 0.02 0.00 0.00 177.57 179.15 2jps h ASN 41 N 0.87 0.83 0.00 0.57 2.35 -0.13 -3.45 115.58 116.63 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 0.09 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.28 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 -1.41 -1.69 0.00 2.83 0.00 -0.89 -5.08 105.19 98.94 2jps n GLY 42 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.33 0.68 3.02 -0.02 0.00 -1.14 -4.97 105.19 101.44 2jps n GLY 43 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.76 1.69 0.37 2.61 -4.23 -1.26 -5.01 115.64 109.05 2jps s THR 44 Ca 0.00 -0.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 2jps s THR 44 Cb 0.00 -1.69 0.33 0.00 1.34 0.00 0.00 72.50 72.48 2jps s THR 44 CO 0.00 0.28 1.87 0.58 -0.54 0.00 0.00 174.62 176.81 2jps h VAL 45 N 6.27 0.82 0.24 2.29 2.07 -1.96 0.84 116.25 126.82 2jps h VAL 45 Ca -0.32 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jps h VAL 45 Cb 1.11 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jps h VAL 45 CO 0.51 0.12 -0.12 -0.33 0.02 0.00 0.00 177.57 177.77 2jps h GLU 46 N 0.64 -0.32 -0.29 1.57 5.08 -1.97 0.84 114.58 120.14 2jps h GLU 46 Ca 0.44 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2jps h GLU 46 Cb 0.77 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jps h GLU 46 CO -0.20 -0.04 -0.39 0.77 -1.00 0.00 0.00 179.01 178.15 2jps h SER 47 N -0.57 0.71 -0.11 1.42 0.02 -1.85 0.21 113.55 113.38 2jps h SER 47 Ca -0.03 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.47 2jps h SER 47 Cb 0.42 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2jps h SER 47 CO 0.05 1.02 -0.37 0.58 -1.14 0.00 0.00 176.83 176.98 2jps h VAL 48 N 0.55 1.29 0.10 2.27 2.07 0.77 0.13 116.25 123.43 2jps h VAL 48 Ca 0.05 -1.52 -0.28 0.00 0.82 0.00 0.00 66.70 65.77 2jps h VAL 48 Cb 0.91 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2jps h VAL 48 CO 0.08 0.49 -1.18 0.58 0.02 0.00 0.00 177.57 177.56 2jps h VAL 49 N 0.52 1.35 -0.27 2.57 2.07 0.85 -2.44 116.25 120.90 2jps h VAL 49 Ca 0.05 -2.57 -0.12 0.00 0.82 0.00 0.00 66.70 64.88 2jps h VAL 49 Cb 0.88 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2jps h VAL 49 CO 0.08 0.77 -0.32 0.44 0.02 0.00 0.00 177.57 178.56 2jps h ASP 50 N 0.23 0.60 -0.28 0.57 5.19 -0.51 0.21 116.42 122.43 2jps h ASP 50 Ca -0.15 -0.24 -0.17 0.00 -0.62 0.00 0.00 57.03 55.85 2jps h ASP 50 Cb 1.85 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.20 2jps h ASP 50 CO 0.22 0.88 -0.48 -0.33 -3.12 0.00 0.00 179.24 176.41 2jps h GLU 51 N 0.49 0.81 -0.15 3.56 3.07 -0.77 -0.67 114.58 120.92 2jps h GLU 51 Ca 0.06 -0.51 -0.20 0.00 -0.50 0.00 0.00 59.36 58.21 2jps h GLU 51 Cb 0.80 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2jps h GLU 51 CO 0.07 1.14 -0.70 -0.07 -1.40 0.00 0.00 179.01 178.05 2jps h LEU 52 N 0.58 0.75 -0.82 1.33 3.38 -1.34 -3.10 115.31 116.08 2jps h LEU 52 Ca 0.02 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2jps h LEU 52 Cb 1.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2jps h LEU 52 CO 0.11 1.23 -0.12 0.00 0.09 0.00 0.00 178.44 179.75 2jps h ALA 53 N 0.77 1.00 -0.72 1.53 0.00 -0.56 0.98 119.26 122.26 2jps h ALA 53 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 53 Cb 1.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jps h ALA 53 CO 0.13 0.60 0.48 1.03 0.00 0.00 0.00 179.25 181.49 2jps h SER 54 N 0.68 0.77 0.06 0.00 0.87 -1.05 -2.40 113.55 112.49 2jps h SER 54 Ca 0.11 -0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.29 2jps h SER 54 Cb 0.60 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 2jps h SER 54 CO 0.04 0.54 -2.18 0.18 -0.53 0.00 0.00 176.83 174.87 2jps n LEU 55 N -4.45 2.68 -3.93 2.23 4.77 -1.05 -4.60 117.00 112.65 2jps n LEU 55 Ca 0.09 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 2jps n LEU 55 Cb 0.10 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 2jps n LEU 55 CO 0.35 0.83 0.62 0.49 -1.33 0.00 0.00 177.39 178.36 2jps n PHE 56 N -3.51 3.49 -1.18 -1.77 3.72 0.34 -4.84 117.46 113.71 2jps n PHE 56 Ca -0.39 -3.55 -0.16 0.00 -0.05 0.00 0.00 57.45 53.30 2jps n PHE 56 Cb 0.99 -1.11 0.23 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 1.64 4.07 -0.07 4.37 -0.08 -0.91 -4.37 116.55 121.20 2jps n ASP 57 Ca 0.25 -3.48 -0.14 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 42.89 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 -0.80 1.16 -4.92 1.67 2.88 -1.26 -4.95 113.62 107.39 2jps n SER 58 Ca 0.52 0.10 -0.26 0.00 -1.33 0.00 0.00 58.87 57.89 2jps n SER 58 Cb 1.54 0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 64.98 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 5.09 0.30 2.46 0.11 -1.26 -5.03 120.40 119.53 2jps s VAL 59 Ca -0.18 -0.22 -0.28 0.00 -2.93 0.00 0.00 61.98 58.37 2jps s VAL 59 Cb 0.07 -3.79 -0.13 0.00 -1.53 0.00 0.00 36.38 31.00 2jps s VAL 59 CO 0.76 -0.40 1.12 -1.54 -3.33 0.00 0.00 175.10 171.70 2jps n SER 60 N -1.25 1.83 -0.21 3.54 3.41 -1.26 -4.84 113.62 114.84 2jps n SER 60 Ca -0.03 1.19 0.19 0.00 -0.26 0.00 0.00 58.87 59.95 2jps n SER 60 Cb 0.55 -1.36 0.53 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 2.28 0.35 -0.94 4.33 3.08 -1.95 -0.80 114.38 120.73 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 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 2jps h ARG 61 CO 0.62 0.23 0.61 -0.44 -1.07 0.00 0.00 179.97 179.93 2jps h ASP 62 N 0.37 0.96 -0.61 7.04 3.32 -1.99 -0.30 116.42 125.21 2jps h ASP 62 Ca 0.43 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 2jps h ASP 62 Cb 1.10 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 2jps h ASP 62 CO -0.14 0.62 0.17 0.74 -1.72 0.00 0.00 179.24 178.91 2jps h THR 63 N 1.09 1.25 -0.25 0.35 2.02 -1.48 -1.31 112.91 114.58 2jps h THR 63 Ca 0.40 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2jps h THR 63 Cb 0.18 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2jps h THR 63 CO -0.15 0.33 -0.01 -0.07 0.37 0.00 0.00 175.52 175.99 2jps h LEU 64 N 0.88 0.44 -1.51 2.58 4.07 -1.35 -2.73 115.31 117.68 2jps h LEU 64 Ca 0.19 -0.31 0.07 0.00 0.08 0.00 0.00 57.88 57.90 2jps h LEU 64 Cb 0.31 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 2jps h LEU 64 CO -0.00 0.65 0.41 0.00 -1.08 0.00 0.00 178.44 178.41 2jps h ALA 65 N 0.81 1.82 -0.73 1.53 0.00 -0.89 -1.75 119.26 120.04 2jps h ALA 65 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jps h ALA 65 Cb 0.43 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jps h ALA 65 CO 0.01 0.08 0.49 -0.91 0.00 0.00 0.00 179.25 178.92 2jps h ASN 66 N 0.59 0.84 -0.18 0.00 4.21 -0.92 0.19 115.58 120.31 2jps h ASN 66 Ca 0.27 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.59 2jps h ASN 66 Cb 0.30 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2jps h ASN 66 CO -0.08 0.61 -0.49 0.58 -1.29 0.00 0.00 177.43 176.76 2jps h VAL 67 N 0.99 1.29 -0.37 2.81 2.07 -1.27 -2.65 116.25 119.12 2jps h VAL 67 Ca 0.27 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 2jps h VAL 67 Cb -0.11 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2jps h VAL 67 CO -0.06 0.54 -0.07 0.58 0.02 0.00 0.00 177.57 178.59 2jps h VAL 68 N 0.59 1.23 -0.08 2.57 2.07 -0.89 -2.61 116.25 119.13 2jps h VAL 68 Ca 0.03 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2jps h VAL 68 Cb 1.06 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jps h VAL 68 CO 0.10 0.34 0.03 -0.61 0.02 0.00 0.00 177.57 177.45 2jps h GLN 69 N 0.58 0.13 0.00 1.57 -0.00 -0.45 -2.57 115.11 114.37 2jps h GLN 69 Ca 0.11 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 2jps h GLN 69 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.93 2jps h GLN 69 CO 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 178.83 179.11 2jps h THR 70 N -0.06 0.96 -0.51 2.39 1.03 -1.35 -1.62 112.91 113.75 2jps h THR 70 Ca 0.03 -0.08 -0.04 0.00 -0.01 0.00 0.00 66.41 66.30 2jps h THR 70 Cb 0.21 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.31 2jps h THR 70 CO -0.00 0.02 0.14 0.00 -0.01 0.00 0.00 175.52 175.68 2jps h ALA 71 N 1.98 0.67 0.17 0.00 0.00 -1.08 0.85 119.26 121.85 2jps h ALA 71 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2jps h ALA 71 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jps h ALA 71 CO 0.00 0.34 -0.08 0.74 0.00 0.00 0.00 179.25 180.25 2jps h PHE 72 N 0.70 -0.22 -0.80 0.00 0.04 -1.08 -0.49 116.94 115.09 2jps h PHE 72 Ca 0.16 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.93 2jps h PHE 72 Cb 0.30 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 2jps h PHE 72 CO 0.02 0.06 0.53 0.35 -0.60 0.00 0.00 178.31 178.67 2jps h PHE 73 N -0.49 1.01 -0.58 -0.55 3.57 -1.24 -2.14 116.94 116.52 2jps h PHE 73 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jps h PHE 73 Cb 0.38 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2jps h PHE 73 CO 0.01 0.64 0.31 0.00 -2.23 0.00 0.00 178.31 177.04 2jps h ALA 74 N 1.49 0.74 -1.00 2.41 0.00 0.10 -0.85 119.26 122.15 2jps h ALA 74 Ca 0.29 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2jps h ALA 74 Cb -0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.37 2jps h ALA 74 CO -0.06 0.28 0.65 -0.07 0.00 0.00 0.00 179.25 180.04 2jps h LEU 75 N 0.78 1.05 -0.31 0.00 3.38 -0.43 0.44 115.31 120.22 2jps h LEU 75 Ca 0.20 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 2jps h LEU 75 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2jps h LEU 75 CO -0.03 0.68 -0.42 -0.08 0.09 0.00 0.00 178.44 178.68 2jps h GLU 76 N 1.19 0.83 -0.42 1.13 4.81 -1.17 -1.79 114.58 119.17 2jps h GLU 76 Ca 0.43 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2jps h GLU 76 Cb 0.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2jps h GLU 76 CO -0.16 1.12 -0.20 0.00 -0.73 0.00 0.00 179.01 179.03 2jps h ALA 77 N 0.71 0.84 -0.54 2.92 0.00 -0.39 -2.77 119.26 120.03 2jps h ALA 77 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2jps h ALA 77 Cb 1.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 77 CO 0.10 0.64 -0.08 1.25 0.00 0.00 0.00 179.25 181.16 2jps h LEU 78 N 0.73 0.99 -1.45 0.00 5.85 -0.09 -2.05 115.31 119.29 2jps h LEU 78 Ca 0.10 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2jps h LEU 78 Cb 0.73 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2jps h LEU 78 CO 0.06 1.08 0.01 1.56 -0.34 0.00 0.00 178.44 180.81 2jps h GLN 79 N 0.89 0.37 0.13 1.25 4.20 -1.16 -2.93 115.11 117.86 2jps h GLN 79 Ca 0.15 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.49 2jps h GLN 79 Cb 0.63 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 28.37 2jps h GLN 79 CO 0.04 0.39 -1.26 0.37 -0.67 0.00 0.00 178.83 177.70 2jps h GLN 80 N 0.37 0.62 0.00 1.46 5.75 -1.23 -3.48 115.11 118.60 2jps h GLN 80 Ca 0.08 -0.84 0.00 0.00 -0.15 0.00 0.00 58.65 57.74 2jps h GLN 80 Cb 0.23 0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.06 2jps h GLN 80 CO 0.00 1.38 0.00 0.41 -2.65 0.00 0.00 178.83 177.98 2jps n GLY 81 N 1.39 0.16 3.39 2.39 0.00 -0.80 -5.13 105.19 106.59 2jps n GLY 81 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 1.48 -0.07 1.61 0.41 -1.18 -4.96 118.70 115.99 2jps s GLU 82 Ca 0.00 -1.77 0.03 0.00 -0.41 0.00 0.00 54.97 52.82 2jps s GLU 82 Cb 0.00 -0.85 -0.02 0.00 -1.78 0.00 0.00 34.13 31.48 2jps s GLU 82 CO 0.00 -0.07 -0.14 -1.12 -0.49 0.00 0.00 175.26 173.43 2jps s SER 83 N -3.39 4.00 -0.21 -0.19 0.01 -1.26 -4.89 113.70 107.76 2jps s SER 83 Ca 0.31 -0.23 0.13 0.00 1.31 0.00 0.00 55.95 57.46 2jps s SER 83 Cb 0.06 -1.00 -0.23 0.00 0.21 0.00 0.00 66.02 65.06 2jps s SER 83 CO 0.11 0.31 0.02 0.00 0.41 0.00 0.00 173.24 174.09 2jps n ALA 84 N 2.58 1.47 -0.34 1.44 0.00 -1.26 -4.42 120.51 119.97 2jps n ALA 84 Ca -0.17 -1.23 0.03 0.00 0.00 0.00 0.00 53.44 52.07 2jps n ALA 84 Cb 0.52 -0.20 0.20 0.00 0.00 0.00 0.00 19.45 19.98 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 1.08 -0.73 0.00 4.57 -1.95 -1.62 114.58 115.93 2jps h GLU 85 Ca -0.54 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 57.62 2jps h GLU 85 Cb 2.13 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 30.43 2jps h GLU 85 CO -0.00 0.72 0.48 -0.91 -1.18 0.00 0.00 179.01 178.12 2jps h ASN 86 N 1.11 0.72 -0.42 1.04 2.35 -2.02 -1.45 115.58 116.91 2jps h ASN 86 Ca 0.41 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 2jps h ASN 86 Cb 0.18 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2jps h ASN 86 CO -0.16 0.48 0.08 0.40 -1.65 0.00 0.00 177.43 176.58 2jps h ILE 87 N 0.83 1.23 -0.80 2.81 1.08 -1.51 -2.61 117.51 118.53 2jps h ILE 87 Ca 0.30 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.94 2jps h ILE 87 Cb 0.15 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 2jps h ILE 87 CO -0.09 0.31 0.53 0.58 -0.69 0.00 0.00 178.15 178.78 2jps h VAL 88 N 0.74 1.16 -0.84 1.67 2.07 -1.19 -1.89 116.25 117.97 2jps h VAL 88 Ca 0.16 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jps h VAL 88 Cb 0.34 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 2jps h VAL 88 CO 0.01 0.19 0.51 0.28 0.02 0.00 0.00 177.57 178.58 2jps h SER 89 N 1.03 0.79 0.03 0.57 0.02 -1.39 0.27 113.55 114.87 2jps h SER 89 Ca 0.31 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2jps h SER 89 Cb -0.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2jps h SER 89 CO -0.08 0.49 -0.41 0.50 -1.14 0.00 0.00 176.83 176.19 2jps h LYS 90 N 0.92 0.48 -0.33 3.45 3.64 -1.40 -2.84 116.57 120.49 2jps h LYS 90 Ca 0.38 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 2jps h LYS 90 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jps h LYS 90 CO -0.19 0.81 -0.45 0.82 -2.27 0.00 0.00 179.45 178.17 2jps h ILE 91 N 0.39 1.28 -0.80 2.00 1.08 -0.56 -2.41 117.51 118.49 2jps h ILE 91 Ca 0.03 -1.63 0.01 0.00 -0.39 0.00 0.00 64.86 62.89 2jps h ILE 91 Cb 0.89 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 2jps h ILE 91 CO 0.08 0.54 0.53 0.03 -0.69 0.00 0.00 178.15 178.63 2jps h ARG 92 N 0.68 1.03 -0.29 2.37 3.08 -0.41 0.63 114.38 121.48 2jps h ARG 92 Ca 0.04 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 2jps h ARG 92 Cb 1.03 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2jps h ARG 92 CO 0.10 0.68 -0.51 0.52 -1.07 0.00 0.00 179.97 179.69 2jps h MET 93 N 1.06 0.85 -0.23 0.04 2.86 -1.38 0.54 114.93 118.67 2jps h MET 93 Ca 0.30 -0.53 -0.19 0.00 -2.06 0.00 0.00 59.70 57.22 2jps h MET 93 Cb -0.08 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2jps h MET 93 CO -0.07 1.17 -0.59 0.52 1.06 0.00 0.00 176.91 178.99 2jps h MET 94 N 0.63 0.77 -0.21 1.72 2.86 -0.90 -1.86 114.93 117.94 2jps h MET 94 Ca 0.02 -0.51 -0.15 0.00 -2.06 0.00 0.00 59.70 57.00 2jps h MET 94 Cb 1.12 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2jps h MET 94 CO 0.12 1.14 -0.48 -0.91 1.06 0.00 0.00 176.91 177.83 2jps h ASN 95 N 0.58 0.61 -0.17 1.22 2.35 0.29 -2.25 115.58 118.21 2jps h ASN 95 Ca 0.00 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 2jps h ASN 95 Cb 1.19 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2jps h ASN 95 CO 0.12 0.99 -0.39 0.00 -1.65 0.00 0.00 177.43 176.51 2jps h ALA 96 N 1.03 0.76 -0.42 -0.83 0.00 -0.83 -2.78 119.26 116.18 2jps h ALA 96 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 96 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2jps h ALA 96 CO 0.09 0.66 -0.26 0.37 0.00 0.00 0.00 179.25 180.11 2jps h GLN 97 N 0.58 0.88 -0.34 0.00 4.15 -1.25 0.85 115.11 119.98 2jps h GLN 97 Ca 0.05 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 59.04 2jps h GLN 97 Cb 0.92 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 2jps h GLN 97 CO 0.08 1.04 0.06 1.03 -1.93 0.00 0.00 178.83 179.11 2jps h SER 98 N 0.76 0.47 0.10 -0.69 0.87 -1.31 -3.21 113.55 110.54 2jps h SER 98 Ca 0.09 -0.07 -0.37 0.00 -1.23 0.00 0.00 61.79 60.21 2jps h SER 98 Cb 0.81 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 2jps h SER 98 CO 0.07 0.50 -2.19 -0.11 -0.53 0.00 0.00 176.83 174.56 2jps n LEU 99 N -4.33 2.39 0.00 2.23 7.94 -1.06 -5.07 117.00 119.11 2jps n LEU 99 Ca 0.02 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2jps n LEU 99 Cb 0.20 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2jps n LEU 99 CO 0.38 0.82 0.00 0.61 -1.11 0.00 0.00 177.39 178.09 2jps n GLY 100 N 2.04 0.72 2.97 -3.96 0.00 0.29 -5.10 105.19 102.15 2jps n GLY 100 Ca -0.36 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.27 1.71 -1.14 1.61 2.00 -0.97 -4.83 119.66 117.76 2jps s GLN 101 Ca 0.00 -1.17 -0.16 0.00 -2.00 0.00 0.00 55.36 52.03 2jps s GLN 101 Cb 0.00 -2.69 -0.02 0.00 0.80 0.00 0.00 33.01 31.09 2jps s GLN 101 CO 0.00 -0.64 0.81 -1.13 -0.50 0.00 0.00 175.29 173.82 2jps n SER 102 N 4.58 -5.20 -4.74 6.67 3.41 -1.26 -4.92 113.62 112.16 2jps n SER 102 Ca -0.10 -0.93 -0.28 0.00 -0.26 0.00 0.00 58.87 57.30 2jps n SER 102 Cb 0.43 -3.83 -0.07 0.00 -0.26 0.00 0.00 64.21 60.48 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jps s ASP 103 N -3.54 4.27 0.10 4.04 2.15 -1.26 -5.16 116.67 117.28 2jps s ASP 103 Ca 0.43 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 52.11 2jps s ASP 103 Cb -0.13 -0.09 -0.04 0.00 -0.30 0.00 0.00 42.92 42.36 2jps s ASP 103 CO 0.83 -0.68 -0.03 -0.51 -0.17 0.00 0.00 175.17 174.61 2jps s ILE 104 N -2.72 0.51 0.00 4.11 2.07 -1.26 -5.21 121.20 118.70 2jps s ILE 104 Ca 0.30 -1.91 0.00 0.00 -1.41 0.00 0.00 60.65 57.63 2jps s ILE 104 Cb 0.04 -1.77 0.00 0.00 0.13 0.00 0.00 42.46 40.86 2jps s ILE 104 CO 0.17 -0.78 0.37 0.00 -1.91 0.00 0.00 174.94 172.79