#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 0.00 -2.17 6.12 3.41 -1.26 -5.07 113.62 114.65 2jps n SER 2 Ca 0.00 -0.91 -0.26 0.00 -0.26 0.00 0.00 58.87 57.44 2jps n SER 2 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jps n GLN 3 N 0.00 3.48 -0.17 4.33 1.13 -1.26 -4.79 117.38 120.10 2jps n GLN 3 Ca 0.00 -4.15 -0.07 0.00 -1.94 0.00 0.00 57.00 50.84 2jps n GLN 3 Cb 0.00 -2.27 0.09 0.00 0.11 0.00 0.00 30.24 28.16 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jps h GLU 4 N 2.27 0.96 -0.89 -1.09 4.81 -1.98 -1.92 114.58 116.74 2jps h GLU 4 Ca 0.38 -0.28 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2jps h GLU 4 Cb 1.30 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2jps h GLU 4 CO 0.87 0.94 0.57 -0.56 -0.73 0.00 0.00 179.01 180.10 2jps h GLN 5 N 0.88 0.75 -0.11 1.92 3.07 -2.00 0.43 115.11 120.05 2jps h GLN 5 Ca 0.16 -0.05 -0.24 0.00 0.09 0.00 0.00 58.65 58.62 2jps h GLN 5 Cb 0.51 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 27.91 2jps h GLN 5 CO 0.02 0.50 -0.85 1.88 0.09 0.00 0.00 178.83 180.47 2jps h TYR 6 N 0.77 1.07 -0.75 0.06 -1.99 -1.86 -2.73 116.97 111.53 2jps h TYR 6 Ca 0.43 -0.50 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2jps h TYR 6 Cb 0.58 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 2jps h TYR 6 CO -0.00 1.34 0.44 1.15 -0.00 0.00 0.00 178.16 181.09 2jps h THR 7 N 0.50 1.22 -0.55 -2.88 2.02 -0.21 0.70 112.91 113.71 2jps h THR 7 Ca -0.07 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2jps h THR 7 Cb 1.49 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2jps h THR 7 CO 0.17 0.23 0.20 -0.33 0.37 0.00 0.00 175.52 176.17 2jps h GLU 8 N 1.04 0.84 -0.30 6.66 4.39 -0.23 0.19 114.58 127.16 2jps h GLU 8 Ca 0.27 -0.16 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 2jps h GLU 8 Cb -0.01 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2jps h GLU 8 CO -0.05 0.74 -0.53 -0.91 -1.16 0.00 0.00 179.01 177.11 2jps h ASN 9 N 0.76 0.98 -0.83 1.42 4.21 -1.14 -3.08 115.58 117.90 2jps h ASN 9 Ca 0.18 -0.52 -0.02 0.00 1.21 0.00 0.00 56.30 57.15 2jps h ASN 9 Cb 0.23 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.12 2jps h ASN 9 CO -0.01 1.32 0.43 -0.07 -1.29 0.00 0.00 177.43 177.80 2jps h LEU 10 N 0.68 1.06 -2.04 1.61 3.38 0.71 -1.70 115.31 119.02 2jps h LEU 10 Ca 0.02 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2jps h LEU 10 Cb 1.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jps h LEU 10 CO 0.12 0.88 0.28 0.50 0.09 0.00 0.00 178.44 180.31 2jps h LYS 11 N 1.17 0.00 0.15 1.13 3.64 -0.53 0.85 116.57 122.98 2jps h LYS 11 Ca 0.29 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.44 2jps h LYS 11 Cb 0.07 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2jps h LYS 11 CO -0.04 0.00 -1.03 0.28 -2.27 0.00 0.00 179.45 176.38 2jps h VAL 12 N 0.00 1.38 -0.09 2.00 2.07 -1.33 -2.39 116.25 117.89 2jps h VAL 12 Ca 0.17 -2.53 -0.11 0.00 0.82 0.00 0.00 66.70 65.05 2jps h VAL 12 Cb 0.74 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 2jps h VAL 12 CO -0.00 0.73 -0.45 0.40 0.02 0.00 0.00 177.57 178.26 2jps h ILE 13 N -0.29 1.33 -0.15 4.57 2.04 -0.73 -2.24 117.51 122.04 2jps h ILE 13 Ca -0.19 -1.62 -0.22 0.00 1.00 0.00 0.00 64.86 63.83 2jps h ILE 13 Cb 1.74 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 39.60 2jps h ILE 13 CO 0.15 0.48 -0.77 0.58 0.00 0.00 0.00 178.15 178.59 2jps h VAL 14 N 0.17 1.29 -0.26 1.67 2.07 0.60 -3.15 116.25 118.64 2jps h VAL 14 Ca 0.01 -1.99 -0.08 0.00 0.82 0.00 0.00 66.70 65.46 2jps h VAL 14 Cb 0.87 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2jps h VAL 14 CO 0.07 0.63 -0.17 0.00 0.02 0.00 0.00 177.57 178.12 2jps h ALA 15 N 0.61 1.23 -0.81 1.67 0.00 -1.31 -2.66 119.26 117.98 2jps h ALA 15 Ca -0.05 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.73 2jps h ALA 15 Cb 1.39 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2jps h ALA 15 CO 0.16 0.50 0.54 1.49 0.00 0.00 0.00 179.25 181.93 2jps h GLU 16 N 0.41 0.48 0.12 0.00 4.81 -1.36 0.47 114.58 119.52 2jps h GLU 16 Ca 0.07 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 2jps h GLU 16 Cb 0.54 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jps h GLU 16 CO 0.03 0.32 -1.20 -0.22 -0.73 0.00 0.00 179.01 177.22 2jps h LYS 17 N 0.49 0.26 0.02 1.92 3.11 -1.58 -2.78 116.57 118.02 2jps h LYS 17 Ca 0.41 -0.44 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2jps h LYS 17 Cb 0.86 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 2jps h LYS 17 CO -0.15 1.21 -0.01 -0.07 -2.81 0.00 0.00 179.45 177.62 2jps h LEU 18 N -0.35 -0.02 -1.71 5.20 3.38 -1.11 -1.04 115.31 119.66 2jps h LEU 18 Ca -0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2jps h LEU 18 Cb 1.71 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2jps h LEU 18 CO 0.08 0.17 -0.11 0.00 0.09 0.00 0.00 178.44 178.68 2jps h ALA 19 N 0.75 1.76 -0.08 1.53 0.00 -0.23 -2.59 119.26 120.40 2jps h ALA 19 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jps h ALA 19 CO 0.00 0.18 -0.78 0.78 0.00 0.00 0.00 179.25 179.43 2jps h GLY 20 N 0.42 0.53 -4.42 0.00 0.00 -1.17 -3.44 103.07 94.98 2jps h GLY 20 Ca 0.01 -0.78 -0.53 0.00 0.00 0.00 0.00 47.33 46.03 2jps h GLY 20 CO 0.01 0.70 0.94 -0.42 0.00 0.00 0.00 176.54 177.77 2jps s ILE 21 N -3.57 2.03 0.09 2.60 1.01 -0.43 -4.91 121.20 118.03 2jps s ILE 21 Ca -0.07 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 2jps s ILE 21 Cb 0.10 -3.02 -0.15 0.00 0.01 0.00 0.00 42.46 39.40 2jps s ILE 21 CO 0.86 0.00 1.31 1.55 0.00 0.00 0.00 174.94 178.66 2jps h PRO 22 N 5.52 0.74 -0.96 2.79 0.13 -1.86 -3.21 132.00 135.15 2jps h PRO 22 Ca -0.46 -0.57 0.07 0.00 -0.87 0.00 0.00 66.00 64.17 2jps h PRO 22 Cb 1.21 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2jps h PRO 22 CO 0.85 1.19 0.62 -0.91 -0.23 0.00 0.00 178.00 179.52 2jps h ASN 23 N 0.46 0.97 -2.32 1.44 4.21 -1.94 -3.39 115.58 115.00 2jps h ASN 23 Ca -0.03 0.01 -0.56 0.00 1.21 0.00 0.00 56.30 56.93 2jps h ASN 23 Cb 1.28 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.29 2jps h ASN 23 CO 0.14 0.61 1.32 -0.36 -1.29 0.00 0.00 177.43 177.84 2jps s PHE 24 N -5.97 1.44 -0.05 1.19 0.08 -1.21 -4.82 117.98 108.63 2jps s PHE 24 Ca -0.12 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 2jps s PHE 24 Cb 0.20 -4.05 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 2jps s PHE 24 CO 0.81 -4.27 -0.14 0.09 -0.10 0.00 0.00 175.22 171.61 2jps n ASN 25 N 9.56 1.12 -4.79 1.36 4.13 -1.26 -4.93 115.26 120.45 2jps n ASN 25 Ca 0.24 0.17 -0.29 0.00 1.68 0.00 0.00 54.58 56.39 2jps n ASN 25 Cb 0.44 -0.41 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 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 -2.28 2.20 -1.38 3.52 2.02 -1.26 -4.75 118.70 116.77 2jps s GLU 26 Ca -0.13 -2.13 -0.04 0.00 0.02 0.00 0.00 54.97 52.69 2jps s GLU 26 Cb 0.04 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.47 2jps s GLU 26 CO 0.18 -0.35 0.73 -0.25 0.02 0.00 0.00 175.26 175.58 2jps n ASP 27 N -1.38 -1.94 -0.11 -0.19 8.00 -1.26 -4.91 116.55 114.77 2jps n ASP 27 Ca -0.09 -0.84 -0.12 0.00 0.71 0.00 0.00 54.79 54.46 2jps n ASP 27 Cb 0.66 -3.86 -0.15 0.00 -0.02 0.00 0.00 41.12 37.75 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jps n ILE 28 N -4.39 1.39 0.09 0.53 0.00 -1.26 -3.48 119.36 112.24 2jps n ILE 28 Ca -0.21 -0.77 -0.20 0.00 0.00 0.00 0.00 62.75 61.56 2jps n ILE 28 Cb 0.64 -0.71 -0.15 0.00 0.00 0.00 0.00 39.64 39.42 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 0.36 0.00 9.51 1.57 -1.98 -3.16 116.57 122.87 2jps h LYS 29 Ca -0.55 -0.62 -0.12 0.00 -1.87 0.00 0.00 60.65 57.49 2jps h LYS 29 Cb 2.14 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 34.66 2jps h LYS 29 CO -0.00 1.26 -0.59 1.88 -0.57 0.00 0.00 179.45 181.43 2jps h TYR 30 N 0.10 0.00 -0.20 -1.35 0.05 -1.98 -3.13 116.97 110.46 2jps h TYR 30 Ca -0.27 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.36 2jps h TYR 30 Cb 2.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.81 2jps h TYR 30 CO 0.09 0.59 -0.51 -0.24 -1.05 0.00 0.00 178.16 177.04 2jps h VAL 31 N 0.00 1.32 -0.69 -2.88 3.04 -1.65 -3.05 116.25 112.34 2jps h VAL 31 Ca -0.01 -1.74 -0.05 0.00 -1.01 0.00 0.00 66.70 63.90 2jps h VAL 31 Cb 1.10 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 32.07 2jps h VAL 31 CO 0.08 0.54 0.24 0.00 -1.01 0.00 0.00 177.57 177.42 2jps h ALA 32 N 1.01 1.13 -0.31 3.17 0.00 -1.51 -1.55 119.26 121.19 2jps h ALA 32 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 32 Cb 1.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 32 CO 0.10 0.61 0.17 1.49 0.00 0.00 0.00 179.25 181.62 2jps h GLU 33 N 1.01 0.35 -0.90 0.00 4.81 -1.51 0.95 114.58 119.28 2jps h GLU 33 Ca 0.23 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2jps h GLU 33 Cb 0.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2jps h GLU 33 CO -0.01 0.23 0.49 -0.92 -0.73 0.00 0.00 179.01 178.07 2jps h TYR 34 N 0.36 1.25 -0.12 0.92 3.20 -1.42 0.25 116.97 121.41 2jps h TYR 34 Ca 0.13 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jps h TYR 34 Cb 0.01 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 2jps h TYR 34 CO -0.08 0.86 0.07 0.82 -1.64 0.00 0.00 178.16 178.19 2jps h ILE 35 N 1.27 1.06 -0.72 1.81 2.04 -0.48 0.03 117.51 122.52 2jps h ILE 35 Ca 0.32 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2jps h ILE 35 Cb 0.04 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2jps h ILE 35 CO -0.05 0.05 0.35 0.58 0.00 0.00 0.00 178.15 179.08 2jps h VAL 36 N 0.13 1.23 -0.73 1.67 2.07 -0.40 -0.44 116.25 119.78 2jps h VAL 36 Ca 0.04 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.99 2jps h VAL 36 Cb 0.02 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 2jps h VAL 36 CO -0.01 0.27 0.41 0.25 0.02 0.00 0.00 177.57 178.51 2jps h LEU 37 N 1.00 0.60 -0.60 2.57 5.85 0.03 0.42 115.31 125.18 2jps h LEU 37 Ca 0.25 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2jps h LEU 37 Cb 0.11 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2jps h LEU 37 CO -0.03 0.38 0.12 -0.07 -0.34 0.00 0.00 178.44 178.49 2jps h LEU 38 N 0.74 0.94 -0.25 2.25 3.38 -0.40 -1.38 115.31 120.58 2jps h LEU 38 Ca 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 38 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jps h LEU 38 CO -0.20 0.95 0.14 0.40 0.09 0.00 0.00 178.44 179.82 2jps h ILE 39 N 0.89 1.11 -0.69 1.22 1.08 0.55 -2.35 117.51 119.33 2jps h ILE 39 Ca 0.19 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2jps h ILE 39 Cb 0.39 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2jps h ILE 39 CO 0.01 0.11 0.43 0.58 -0.69 0.00 0.00 178.15 178.58 2jps h VAL 40 N 0.30 1.19 -0.82 1.67 2.07 -0.05 -2.07 116.25 118.55 2jps h VAL 40 Ca 0.09 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.29 2jps h VAL 40 Cb 0.05 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 2jps h VAL 40 CO -0.01 0.20 0.53 0.78 0.02 0.00 0.00 177.57 179.08 2jps h ASN 41 N 0.95 0.71 0.00 0.57 2.35 -0.70 -3.44 115.58 116.02 2jps h ASN 41 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2jps h ASN 41 Cb -0.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2jps h ASN 41 CO -0.05 0.43 0.00 0.61 -1.65 0.00 0.00 177.43 176.77 2jps n GLY 42 N -1.43 -0.45 0.00 2.83 0.00 -0.79 -5.06 105.19 100.29 2jps n GLY 42 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.13 0.69 3.15 -0.02 0.00 -1.12 -4.98 105.19 101.78 2jps n GLY 43 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.85 3.25 0.39 2.61 -4.23 -1.26 -4.98 115.64 110.57 2jps s THR 44 Ca 0.00 -1.74 0.18 0.00 -1.18 0.00 0.00 61.69 58.95 2jps s THR 44 Cb 0.00 -3.07 0.39 0.00 1.34 0.00 0.00 72.50 71.15 2jps s THR 44 CO 0.00 -0.45 1.77 0.58 -0.54 0.00 0.00 174.62 175.98 2jps h VAL 45 N 6.37 0.53 0.21 2.29 2.07 -1.96 0.93 116.25 126.69 2jps h VAL 45 Ca -0.17 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2jps h VAL 45 Cb 1.06 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2jps h VAL 45 CO 0.63 0.07 -0.10 -0.33 0.02 0.00 0.00 177.57 177.87 2jps h GLU 46 N 0.40 -0.27 -0.25 1.57 5.08 -1.97 0.83 114.58 119.97 2jps h GLU 46 Ca 0.59 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.83 2jps h GLU 46 Cb 1.49 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2jps h GLU 46 CO -0.30 0.02 -0.42 0.77 -1.00 0.00 0.00 179.01 178.08 2jps h SER 47 N -0.56 0.64 0.03 1.42 0.02 -1.67 0.11 113.55 113.53 2jps h SER 47 Ca -0.03 -0.29 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 2jps h SER 47 Cb 0.41 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2jps h SER 47 CO 0.05 0.98 -0.52 0.58 -1.14 0.00 0.00 176.83 176.78 2jps h VAL 48 N 0.49 1.32 0.05 2.27 2.07 0.91 0.60 116.25 123.95 2jps h VAL 48 Ca 0.04 -1.75 -0.27 0.00 0.82 0.00 0.00 66.70 65.53 2jps h VAL 48 Cb 0.94 1.73 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2jps h VAL 48 CO 0.08 0.55 -1.11 0.58 0.02 0.00 0.00 177.57 177.69 2jps h VAL 49 N 0.42 1.31 -0.41 2.57 2.07 0.80 -2.15 116.25 120.87 2jps h VAL 49 Ca 0.01 -2.40 -0.11 0.00 0.82 0.00 0.00 66.70 65.03 2jps h VAL 49 Cb 1.05 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2jps h VAL 49 CO 0.10 0.73 -0.18 -0.78 0.02 0.00 0.00 177.57 177.46 2jps h ASP 50 N 0.31 0.79 -0.31 0.57 3.58 -0.74 0.25 116.42 120.87 2jps h ASP 50 Ca -0.14 -0.27 -0.12 0.00 0.42 0.00 0.00 57.03 56.92 2jps h ASP 50 Cb 1.77 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.59 2jps h ASP 50 CO 0.21 0.97 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.94 2jps h GLU 51 N 0.70 0.73 -0.27 0.28 3.07 -0.90 -0.75 114.58 117.44 2jps h GLU 51 Ca 0.10 -0.37 -0.16 0.00 -0.50 0.00 0.00 59.36 58.43 2jps h GLU 51 Cb 0.69 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2jps h GLU 51 CO 0.05 0.99 -0.49 -0.07 -1.40 0.00 0.00 179.01 178.09 2jps h LEU 52 N 0.49 0.81 -0.81 1.33 3.38 -1.27 -3.02 115.31 116.23 2jps h LEU 52 Ca 0.06 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 2jps h LEU 52 Cb 0.83 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2jps h LEU 52 CO 0.07 1.16 0.09 0.00 0.09 0.00 0.00 178.44 179.85 2jps h ALA 53 N 0.86 1.01 -0.62 1.53 0.00 -0.44 0.98 119.26 122.59 2jps h ALA 53 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 53 Cb 1.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2jps h ALA 53 CO 0.10 0.63 0.41 0.77 0.00 0.00 0.00 179.25 181.16 2jps h SER 54 N 0.93 0.60 0.06 0.00 0.02 -1.01 -2.28 113.55 111.87 2jps h SER 54 Ca 0.19 -0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.76 2jps h SER 54 Cb 0.42 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2jps h SER 54 CO 0.01 0.41 -2.13 -0.11 -1.14 0.00 0.00 176.83 173.87 2jps n LEU 55 N -4.47 2.61 -3.96 5.07 0.00 -0.98 -4.59 117.00 110.68 2jps n LEU 55 Ca 0.08 0.13 -0.37 0.00 0.00 0.00 0.00 56.01 55.84 2jps n LEU 55 Cb 0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 43.42 42.54 2jps n LEU 55 CO 0.35 0.80 0.60 0.49 0.00 0.00 0.00 177.39 179.62 2jps n PHE 56 N -3.58 3.61 -1.18 1.96 3.72 0.34 -4.84 117.46 117.48 2jps n PHE 56 Ca -0.39 -3.62 -0.17 0.00 -0.05 0.00 0.00 57.45 53.23 2jps n PHE 56 Cb 0.98 -1.12 0.22 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.72 4.06 -0.07 4.37 -0.08 -0.87 -4.40 116.55 121.28 2jps n ASP 57 Ca 0.25 -3.49 -0.14 0.00 -1.51 0.00 0.00 54.79 49.90 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 -1.20 0.12 0.00 0.00 177.20 176.12 2jps n SER 58 N -0.82 1.11 -4.93 1.67 7.64 -1.26 -4.95 113.62 112.08 2jps n SER 58 Ca 0.53 0.09 -0.27 0.00 1.01 0.00 0.00 58.87 60.23 2jps n SER 58 Cb 1.56 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.77 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 -2.53 5.22 0.43 0.44 0.11 -1.26 -5.05 120.40 117.76 2jps s VAL 59 Ca -0.18 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 2jps s VAL 59 Cb 0.07 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2jps s VAL 59 CO 0.76 -0.17 0.96 -1.20 -3.33 0.00 0.00 175.10 172.11 2jps n SER 60 N -0.67 1.00 -0.17 3.54 7.64 -1.26 -4.84 113.62 118.85 2jps n SER 60 Ca -0.05 1.00 0.19 0.00 1.01 0.00 0.00 58.87 61.03 2jps n SER 60 Cb 0.54 -1.33 0.57 0.00 -1.01 0.00 0.00 64.21 62.97 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jps h ARG 61 N 1.38 0.28 -0.81 1.43 -0.00 -1.96 -0.74 114.38 113.96 2jps h ARG 61 Ca -0.44 -0.02 0.11 0.00 -0.50 0.00 0.00 59.98 59.13 2jps h ARG 61 Cb 1.35 -0.06 -0.06 0.00 0.00 0.00 0.00 29.97 31.19 2jps h ARG 61 CO 0.56 0.19 0.53 0.22 0.00 0.00 0.00 179.97 181.47 2jps h ASP 62 N 0.29 0.63 -0.40 7.04 1.82 -1.98 0.34 116.42 124.17 2jps h ASP 62 Ca 0.40 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.96 2jps h ASP 62 Cb 1.12 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 2jps h ASP 62 CO -0.11 0.36 -0.15 0.74 -1.61 0.00 0.00 179.24 178.47 2jps h THR 63 N 0.69 1.28 -0.24 2.25 2.02 -1.46 0.32 112.91 117.78 2jps h THR 63 Ca 0.38 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 2jps h THR 63 Cb 0.54 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2jps h THR 63 CO -0.15 0.43 -0.25 -0.07 0.37 0.00 0.00 175.52 175.84 2jps h LEU 64 N 0.62 0.63 -1.30 2.58 4.07 -1.28 -2.97 115.31 117.66 2jps h LEU 64 Ca 0.09 -0.48 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 2jps h LEU 64 Cb 0.69 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 2jps h LEU 64 CO 0.05 0.98 0.26 0.00 -1.08 0.00 0.00 178.44 178.65 2jps h ALA 65 N 0.67 1.46 -0.87 1.53 0.00 -0.31 -1.89 119.26 119.85 2jps h ALA 65 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 65 Cb 0.81 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2jps h ALA 65 CO 0.06 0.43 0.57 -0.91 0.00 0.00 0.00 179.25 179.41 2jps h ASN 66 N 0.75 1.00 -0.10 0.00 4.21 -0.78 0.40 115.58 121.06 2jps h ASN 66 Ca 0.19 -0.03 -0.18 0.00 1.21 0.00 0.00 56.30 57.48 2jps h ASN 66 Cb 0.07 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.02 2jps h ASN 66 CO -0.03 0.73 -0.61 0.58 -1.29 0.00 0.00 177.43 176.81 2jps h VAL 67 N 1.18 1.30 -0.26 2.81 2.07 -1.31 -2.70 116.25 119.33 2jps h VAL 67 Ca 0.32 -1.84 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 2jps h VAL 67 Cb -0.13 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2jps h VAL 67 CO -0.07 0.58 -0.30 0.58 0.02 0.00 0.00 177.57 178.38 2jps h VAL 68 N 0.53 1.28 -0.55 2.57 2.07 -0.87 -2.56 116.25 118.71 2jps h VAL 68 Ca -0.00 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 2jps h VAL 68 Cb 1.20 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2jps h VAL 68 CO 0.12 0.44 0.24 -0.61 0.02 0.00 0.00 177.57 177.78 2jps h GLN 69 N 0.47 0.82 -0.00 1.57 4.15 -0.10 -1.97 115.11 120.05 2jps h GLN 69 Ca 0.06 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 2jps h GLN 69 Cb 0.76 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2jps h GLN 69 CO 0.06 0.70 -0.38 0.00 -1.93 0.00 0.00 178.83 177.28 2jps h THR 70 N 0.75 1.28 -0.18 2.39 1.03 -1.35 -2.51 112.91 114.32 2jps h THR 70 Ca 0.19 -1.31 -0.14 0.00 -0.01 0.00 0.00 66.41 65.13 2jps h THR 70 Cb 0.17 1.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 2jps h THR 70 CO -0.02 0.38 -0.48 0.00 -0.01 0.00 0.00 175.52 175.39 2jps h ALA 71 N 1.61 0.84 -0.01 0.00 0.00 -1.03 -0.70 119.26 119.97 2jps h ALA 71 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jps h ALA 71 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jps h ALA 71 CO 0.05 0.66 -0.00 0.74 0.00 0.00 0.00 179.25 180.70 2jps h PHE 72 N 0.37 0.02 -0.93 0.00 -1.00 -1.02 -2.16 116.94 112.23 2jps h PHE 72 Ca 0.02 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2jps h PHE 72 Cb 0.98 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.49 2jps h PHE 72 CO 0.03 0.34 0.54 0.74 -1.61 0.00 0.00 178.31 178.35 2jps h PHE 73 N -0.30 1.24 -0.78 -0.55 0.04 -1.43 -1.89 116.94 113.28 2jps h PHE 73 Ca 0.00 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.83 2jps h PHE 73 Cb 0.33 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2jps h PHE 73 CO 0.04 0.83 0.51 0.00 -0.60 0.00 0.00 178.31 179.09 2jps h ALA 74 N 1.31 1.65 -1.00 2.45 0.00 -0.95 -1.39 119.26 121.34 2jps h ALA 74 Ca 0.33 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.34 2jps h ALA 74 Cb -0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 2jps h ALA 74 CO -0.06 0.23 0.63 -0.07 0.00 0.00 0.00 179.25 179.98 2jps h LEU 75 N 0.83 0.91 -0.28 0.00 -0.00 -0.67 0.53 115.31 116.63 2jps h LEU 75 Ca 0.34 0.05 -0.18 0.00 -0.00 0.00 0.00 57.88 58.09 2jps h LEU 75 Cb 0.25 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2jps h LEU 75 CO -0.12 0.48 -0.52 -0.33 -0.00 0.00 0.00 178.44 177.96 2jps h GLU 76 N 0.97 0.85 -0.45 1.13 4.39 -1.30 -2.27 114.58 117.90 2jps h GLU 76 Ca 0.49 -0.54 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2jps h GLU 76 Cb 0.51 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2jps h GLU 76 CO -0.26 1.17 -0.18 0.00 -1.16 0.00 0.00 179.01 178.58 2jps h ALA 77 N 0.67 0.82 -0.70 3.43 0.00 -0.83 -2.91 119.26 119.75 2jps h ALA 77 Ca 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 77 Cb 1.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2jps h ALA 77 CO 0.12 0.65 0.20 -0.07 0.00 0.00 0.00 179.25 180.14 2jps h LEU 78 N 0.78 1.02 -1.73 0.00 3.38 0.06 -1.56 115.31 117.26 2jps h LEU 78 Ca 0.11 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2jps h LEU 78 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jps h LEU 78 CO 0.06 0.96 0.25 1.56 0.09 0.00 0.00 178.44 181.36 2jps h GLN 79 N 1.04 0.34 0.00 1.13 4.20 -1.21 -3.09 115.11 117.52 2jps h GLN 79 Ca 0.22 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2jps h GLN 79 Cb 0.32 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2jps h GLN 79 CO -0.00 0.22 -0.32 1.96 -0.67 0.00 0.00 178.83 180.02 2jps h GLN 80 N 0.35 0.00 0.00 1.46 7.50 -1.36 -3.50 115.11 119.57 2jps h GLN 80 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2jps h GLN 80 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.71 2jps h GLN 80 CO -0.03 0.79 0.00 0.41 -1.50 0.00 0.00 178.83 178.49 2jps n GLY 81 N 1.60 0.15 3.81 3.46 0.00 -0.63 -5.14 105.19 108.42 2jps n GLY 81 Ca -0.13 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.06 1.61 0.41 -1.21 -5.01 118.70 116.65 2jps s GLU 82 Ca 0.00 -2.15 0.04 0.00 -0.41 0.00 0.00 54.97 52.44 2jps s GLU 82 Cb 0.00 -1.83 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 2jps s GLU 82 CO 0.00 -0.41 -0.16 -1.12 -0.49 0.00 0.00 175.26 173.08 2jps s SER 83 N -4.03 3.82 -0.20 -0.19 0.01 -1.26 -4.98 113.70 106.86 2jps s SER 83 Ca 0.23 -0.29 0.11 0.00 1.31 0.00 0.00 55.95 57.32 2jps s SER 83 Cb 0.01 -0.96 -0.22 0.00 0.21 0.00 0.00 66.02 65.06 2jps s SER 83 CO 0.14 0.29 0.04 0.00 0.41 0.00 0.00 173.24 174.12 2jps n ALA 84 N 2.64 1.45 -0.29 1.44 0.00 -1.26 -4.39 120.51 120.10 2jps n ALA 84 Ca -0.17 -1.18 0.09 0.00 0.00 0.00 0.00 53.44 52.18 2jps n ALA 84 Cb 0.52 -0.24 0.33 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.95 -0.86 114.58 116.84 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 0.80 0.80 -0.40 1.42 2.35 -2.02 -1.49 115.58 117.06 2jps h ASN 86 Ca 0.44 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.11 2jps h ASN 86 Cb 0.57 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2jps h ASN 86 CO -0.20 0.54 -0.02 0.40 -1.65 0.00 0.00 177.43 176.50 2jps h ILE 87 N 0.92 1.25 -0.80 2.81 2.04 -1.38 -2.70 117.51 119.65 2jps h ILE 87 Ca 0.32 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2jps h ILE 87 Cb 0.12 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2jps h ILE 87 CO -0.10 0.36 0.53 0.58 0.00 0.00 0.00 178.15 179.52 2jps h VAL 88 N 0.74 1.15 -0.89 1.67 2.07 -1.16 -1.76 116.25 118.07 2jps h VAL 88 Ca 0.14 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.41 2jps h VAL 88 Cb 0.48 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 2jps h VAL 88 CO 0.02 0.18 0.54 0.77 0.02 0.00 0.00 177.57 179.10 2jps h SER 89 N 1.01 0.79 -0.04 0.57 4.64 -1.32 0.39 113.55 119.60 2jps h SER 89 Ca 0.31 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 2jps h SER 89 Cb -0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2jps h SER 89 CO -0.09 0.46 -0.38 0.50 -0.87 0.00 0.00 176.83 176.45 2jps h LYS 90 N 0.90 0.54 -0.28 4.77 1.63 -1.38 -2.40 116.57 120.35 2jps h LYS 90 Ca 0.42 -0.27 -0.18 0.00 -0.85 0.00 0.00 60.65 59.77 2jps h LYS 90 Cb 0.36 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2jps h LYS 90 CO -0.24 0.84 -0.55 0.82 -3.45 0.00 0.00 179.45 176.88 2jps h ILE 91 N 0.45 1.28 -0.70 2.00 1.08 -0.59 -1.57 117.51 119.46 2jps h ILE 91 Ca 0.04 -1.74 -0.03 0.00 -0.39 0.00 0.00 64.86 62.74 2jps h ILE 91 Cb 0.87 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 2jps h ILE 91 CO 0.07 0.57 0.32 0.03 -0.69 0.00 0.00 178.15 178.45 2jps h ARG 92 N 0.64 1.01 -0.23 2.37 3.08 -0.20 0.76 114.38 121.82 2jps h ARG 92 Ca 0.01 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.72 2jps h ARG 92 Cb 1.15 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2jps h ARG 92 CO 0.12 0.79 -0.64 1.98 -1.07 0.00 0.00 179.97 181.16 2jps h MET 93 N 1.00 0.84 -0.23 0.04 4.05 -1.34 0.74 114.93 120.02 2jps h MET 93 Ca 0.24 -0.59 -0.19 0.00 -0.28 0.00 0.00 59.70 58.88 2jps h MET 93 Cb 0.13 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2jps h MET 93 CO -0.03 1.22 -0.60 1.98 0.23 0.00 0.00 176.91 179.70 2jps h MET 94 N 0.60 0.78 -0.26 0.39 1.85 -0.91 -2.45 114.93 114.93 2jps h MET 94 Ca -0.01 -0.53 -0.16 0.00 -0.61 0.00 0.00 59.70 58.39 2jps h MET 94 Cb 1.25 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.35 2jps h MET 94 CO 0.14 1.15 -0.47 -0.91 -0.40 0.00 0.00 176.91 176.41 2jps h ASN 95 N 0.58 0.76 -0.51 1.39 2.35 0.55 -3.00 115.58 117.69 2jps h ASN 95 Ca -0.00 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 2jps h ASN 95 Cb 1.20 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2jps h ASN 95 CO 0.13 1.11 0.19 0.00 -1.65 0.00 0.00 177.43 177.20 2jps h ALA 96 N 0.92 1.27 -0.93 -0.83 0.00 -0.80 -2.49 119.26 116.40 2jps h ALA 96 Ca 0.03 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 96 Cb 1.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 96 CO 0.10 0.52 0.60 0.37 0.00 0.00 0.00 179.25 180.85 2jps h GLN 97 N 0.82 1.03 -0.71 0.00 5.75 -1.29 -0.03 115.11 120.67 2jps h GLN 97 Ca 0.19 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 2jps h GLN 97 Cb 0.22 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2jps h GLN 97 CO -0.01 0.68 0.47 0.77 -2.65 0.00 0.00 178.83 178.09 2jps h SER 98 N 1.06 0.66 -0.65 -0.69 0.02 -1.45 -2.51 113.55 109.99 2jps h SER 98 Ca 0.40 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.90 2jps h SER 98 Cb 0.21 -0.14 -0.32 0.00 0.14 0.00 0.00 62.40 62.29 2jps h SER 98 CO -0.16 0.43 -0.46 0.18 -1.14 0.00 0.00 176.83 175.68 2jps n LEU 99 N -4.48 4.95 -3.51 5.07 4.32 -0.47 -4.85 117.00 118.03 2jps n LEU 99 Ca 0.10 -4.47 -0.27 0.00 -0.02 0.00 0.00 56.01 51.35 2jps n LEU 99 Cb 0.22 -0.49 -0.09 0.00 -1.62 0.00 0.00 43.42 41.44 2jps n LEU 99 CO 0.34 1.84 -0.09 0.61 -1.22 0.00 0.00 177.39 178.87 2jps n GLY 100 N -0.84 3.79 3.76 -0.72 0.00 -0.15 -5.02 105.19 106.00 2jps n GLY 100 Ca 0.42 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -1.54 2.75 -1.52 1.61 -0.21 -1.26 -4.55 119.66 114.95 2jps s GLN 101 Ca 0.34 -0.91 -0.13 0.00 0.02 0.00 0.00 55.36 54.68 2jps s GLN 101 Cb 0.08 -2.58 0.08 0.00 1.00 0.00 0.00 33.01 31.59 2jps s GLN 101 CO -0.11 0.49 0.95 0.43 -2.12 0.00 0.00 175.29 174.93 2jps n SER 102 N -0.15 -4.41 -1.90 5.90 7.64 -1.26 -4.97 113.62 114.47 2jps n SER 102 Ca -0.09 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2jps n SER 102 Cb 0.54 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.87 2jps n SER 102 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2jps n ASP 103 N -2.85 1.83 -4.45 6.43 5.75 -1.26 -5.15 116.55 116.84 2jps n ASP 103 Ca 0.01 -0.99 -0.31 0.00 -0.01 0.00 0.00 54.79 53.48 2jps n ASP 103 Cb 0.54 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.50 2jps n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jps s ILE 104 N -1.07 2.79 0.00 2.12 1.01 -1.26 -5.22 121.20 119.56 2jps s ILE 104 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2jps s ILE 104 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2jps s ILE 104 CO 0.00 0.37 0.31 0.00 0.00 0.00 0.00 174.94 175.62