#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 0.48 -0.28 7.83 0.01 -1.26 -5.06 113.70 115.42 2jps s SER 2 Ca 0.00 -0.29 0.11 0.00 1.31 0.00 0.00 55.95 57.08 2jps s SER 2 Cb 0.00 0.01 0.47 0.00 0.21 0.00 0.00 66.02 66.71 2jps s SER 2 CO 0.00 -0.10 1.17 0.00 0.41 0.00 0.00 173.24 174.72 2jps n GLN 3 N 2.26 3.06 -0.34 12.44 1.13 -1.26 -4.84 117.38 129.84 2jps n GLN 3 Ca -0.18 -3.96 -0.00 0.00 -1.94 0.00 0.00 57.00 50.92 2jps n GLN 3 Cb 0.57 -2.07 0.16 0.00 0.11 0.00 0.00 30.24 29.00 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 2.24 1.21 -0.94 -1.09 5.08 -1.97 0.80 114.58 119.90 2jps h GLU 4 Ca 0.23 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2jps h GLU 4 Cb 1.46 -0.27 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 2jps h GLU 4 CO 0.59 0.80 0.58 0.37 -1.00 0.00 0.00 179.01 180.35 2jps h GLN 5 N 1.24 0.94 -0.04 2.33 4.15 -1.99 0.85 115.11 122.59 2jps h GLN 5 Ca 0.36 -0.06 -0.24 0.00 0.77 0.00 0.00 58.65 59.49 2jps h GLN 5 Cb -0.06 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.42 2jps h GLN 5 CO -0.10 0.62 -0.93 1.88 -1.93 0.00 0.00 178.83 178.37 2jps h TYR 6 N 0.97 0.90 -0.77 3.99 -1.99 -1.72 -2.51 116.97 115.85 2jps h TYR 6 Ca 0.45 -0.46 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 2jps h TYR 6 Cb 0.36 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 2jps h TYR 6 CO -0.02 1.29 0.29 1.15 -0.00 0.00 0.00 178.16 180.86 2jps h THR 7 N 0.38 1.26 -0.50 -2.88 2.02 0.61 0.58 112.91 114.39 2jps h THR 7 Ca -0.09 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.13 2jps h THR 7 Cb 1.57 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2jps h THR 7 CO 0.18 0.34 -0.15 -0.33 0.37 0.00 0.00 175.52 175.93 2jps h GLU 8 N 1.13 0.98 -0.17 6.66 5.08 0.68 0.19 114.58 129.13 2jps h GLU 8 Ca 0.25 -0.39 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 2jps h GLU 8 Cb 0.24 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2jps h GLU 8 CO -0.02 1.06 -0.67 -0.91 -1.00 0.00 0.00 179.01 177.48 2jps h ASN 9 N 0.84 0.88 -0.63 1.42 4.21 -1.14 -3.13 115.58 118.02 2jps h ASN 9 Ca 0.12 -0.61 -0.07 0.00 1.21 0.00 0.00 56.30 56.95 2jps h ASN 9 Cb 0.72 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.63 2jps h ASN 9 CO 0.06 1.34 0.14 -0.07 -1.29 0.00 0.00 177.43 177.61 2jps h LEU 10 N 0.46 0.99 -2.00 1.61 3.38 0.27 -2.27 115.31 117.75 2jps h LEU 10 Ca -0.04 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.80 2jps h LEU 10 Cb 1.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2jps h LEU 10 CO 0.14 0.97 0.19 0.50 0.09 0.00 0.00 178.44 180.33 2jps h LYS 11 N 0.99 0.00 -0.01 1.13 3.64 -0.57 0.35 116.57 122.11 2jps h LYS 11 Ca 0.21 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2jps h LYS 11 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2jps h LYS 11 CO 0.00 0.00 -0.15 0.28 -2.27 0.00 0.00 179.45 177.31 2jps h VAL 12 N 0.00 1.56 -0.45 2.00 2.07 -1.37 -2.47 116.25 117.60 2jps h VAL 12 Ca 0.13 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 2jps h VAL 12 Cb 0.50 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2jps h VAL 12 CO -0.00 0.50 0.02 0.40 0.02 0.00 0.00 177.57 178.51 2jps h ILE 13 N -0.58 1.23 -0.72 4.57 2.04 -1.17 -2.47 117.51 120.41 2jps h ILE 13 Ca -0.02 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2jps h ILE 13 Cb 0.90 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2jps h ILE 13 CO 0.03 0.32 0.31 0.58 0.00 0.00 0.00 178.15 179.39 2jps h VAL 14 N 0.68 1.24 -0.36 1.67 2.07 -0.36 -2.19 116.25 119.00 2jps h VAL 14 Ca 0.14 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2jps h VAL 14 Cb 0.39 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2jps h VAL 14 CO 0.01 0.30 0.11 0.00 0.02 0.00 0.00 177.57 178.02 2jps h ALA 15 N 1.15 1.52 -0.87 1.67 0.00 -1.00 -2.11 119.26 119.62 2jps h ALA 15 Ca 0.24 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2jps h ALA 15 Cb 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2jps h ALA 15 CO -0.02 0.36 0.56 1.49 0.00 0.00 0.00 179.25 181.64 2jps h GLU 16 N 0.52 0.64 0.14 0.00 4.81 -1.00 0.85 114.58 120.55 2jps h GLU 16 Ca 0.13 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 2jps h GLU 16 Cb 0.16 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.40 2jps h GLU 16 CO -0.01 0.43 -1.38 0.87 -0.73 0.00 0.00 179.01 178.19 2jps h LYS 17 N 0.66 0.31 0.33 1.92 1.79 -1.45 -2.48 116.57 117.65 2jps h LYS 17 Ca 0.43 -0.52 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2jps h LYS 17 Cb 0.71 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2jps h LYS 17 CO -0.19 1.25 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.20 2jps h LEU 18 N -0.20 -0.38 -1.96 2.94 3.38 -0.91 -0.80 115.31 117.37 2jps h LEU 18 Ca -0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jps h LEU 18 Cb 1.84 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 2jps h LEU 18 CO 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 2jps h ALA 19 N -0.17 1.85 -0.20 1.53 0.00 0.53 -2.24 119.26 120.57 2jps h ALA 19 Ca -0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 19 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jps h ALA 19 CO 0.08 0.06 -0.63 0.78 0.00 0.00 0.00 179.25 179.53 2jps h GLY 20 N 0.16 0.76 -6.90 0.00 0.00 -1.16 -3.43 103.07 92.51 2jps h GLY 20 Ca -0.00 -0.96 -0.62 0.00 0.00 0.00 0.00 47.33 45.75 2jps h GLY 20 CO 0.01 0.86 1.45 1.39 0.00 0.00 0.00 176.54 180.25 2jps n ILE 21 N -3.95 0.31 0.27 2.60 5.41 -0.33 -4.82 119.36 118.85 2jps n ILE 21 Ca -0.05 -0.38 0.16 0.00 1.00 0.00 0.00 62.75 63.48 2jps n ILE 21 Cb 0.66 -2.25 0.63 0.00 -0.71 0.00 0.00 39.64 37.98 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 13.95 0.00 -0.77 0.38 0.13 -1.86 -3.12 132.00 140.71 2jps h PRO 22 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 2jps h PRO 22 Cb 1.27 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.07 2jps h PRO 22 CO 0.98 0.04 -0.11 0.09 -0.23 0.00 0.00 178.00 178.77 2jps n ASN 23 N -3.16 5.40 -4.82 1.44 3.02 -1.26 -5.02 115.26 110.87 2jps n ASN 23 Ca 0.01 -3.77 -0.37 0.00 -0.03 0.00 0.00 54.58 50.41 2jps n ASN 23 Cb 0.33 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2jps s PHE 24 N -3.61 3.74 0.00 3.10 5.36 -1.18 -5.02 117.98 120.37 2jps s PHE 24 Ca 0.55 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 2jps s PHE 24 Cb 0.44 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2jps s PHE 24 CO 0.02 0.52 0.00 0.09 -1.46 0.00 0.00 175.22 174.38 2jps n ASN 25 N 1.35 1.17 -0.84 6.13 3.02 -1.26 -5.05 115.26 119.78 2jps n ASN 25 Ca -0.08 -0.83 0.07 0.00 -0.03 0.00 0.00 54.58 53.71 2jps n ASN 25 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2jps n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jps n GLU 26 N -0.35 -1.03 -2.29 3.52 1.02 -1.26 -4.65 120.64 115.60 2jps n GLU 26 Ca 0.00 0.68 -0.37 0.00 -0.02 0.00 0.00 57.16 57.44 2jps n GLU 26 Cb 0.00 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 2jps n GLU 26 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jps s ASP 27 N -4.63 6.35 -0.22 1.62 -1.08 -1.26 -4.97 116.67 112.48 2jps s ASP 27 Ca 0.00 2.30 0.12 0.00 -0.52 0.00 0.00 52.55 54.45 2jps s ASP 27 Cb 0.00 -2.61 -0.22 0.00 -1.46 0.00 0.00 42.92 38.63 2jps s ASP 27 CO 0.00 -0.79 -0.02 0.00 0.52 0.00 0.00 175.17 174.88 2jps n ILE 28 N -0.24 1.43 0.11 4.11 0.00 -1.26 -3.54 119.36 119.97 2jps n ILE 28 Ca 0.06 -0.76 -0.22 0.00 0.00 0.00 0.00 62.75 61.83 2jps n ILE 28 Cb 0.48 -0.81 -0.15 0.00 0.00 0.00 0.00 39.64 39.15 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 0.42 0.00 9.51 1.57 -1.99 -3.21 116.57 122.87 2jps h LYS 29 Ca -0.55 -0.73 -0.11 0.00 -1.87 0.00 0.00 60.65 57.39 2jps h LYS 29 Cb 2.12 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 34.69 2jps h LYS 29 CO -0.01 1.33 -0.50 -0.92 -0.57 0.00 0.00 179.45 178.78 2jps h TYR 30 N 0.12 0.00 0.00 -1.35 3.20 -1.99 -3.00 116.97 113.94 2jps h TYR 30 Ca -0.26 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 2jps h TYR 30 Cb 2.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.36 2jps h TYR 30 CO 0.10 0.50 -0.45 -0.24 -1.64 0.00 0.00 178.16 176.44 2jps h VAL 31 N 0.00 1.10 -0.24 1.81 3.04 -1.63 -3.06 116.25 117.26 2jps h VAL 31 Ca -0.01 -1.66 -0.15 0.00 -1.01 0.00 0.00 66.70 63.87 2jps h VAL 31 Cb 0.96 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 32.19 2jps h VAL 31 CO 0.07 0.44 -0.48 0.00 -1.01 0.00 0.00 177.57 176.58 2jps h ALA 32 N 1.55 0.70 -0.41 3.17 0.00 -1.53 -2.15 119.26 120.59 2jps h ALA 32 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jps h ALA 32 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jps h ALA 32 CO 0.06 0.67 0.27 0.93 0.00 0.00 0.00 179.25 181.18 2jps h GLU 33 N 0.51 0.53 -0.73 0.00 5.08 -1.55 0.15 114.58 118.56 2jps h GLU 33 Ca 0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2jps h GLU 33 Cb 1.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2jps h GLU 33 CO 0.10 0.35 0.20 -0.92 -1.00 0.00 0.00 179.01 177.74 2jps h TYR 34 N 0.54 1.21 -0.23 4.33 3.20 -1.53 0.30 116.97 124.79 2jps h TYR 34 Ca 0.15 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jps h TYR 34 Cb -0.05 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.87 2jps h TYR 34 CO -0.05 0.97 0.14 0.82 -1.64 0.00 0.00 178.16 178.39 2jps h ILE 35 N 1.10 1.07 -0.69 1.81 2.04 -0.69 -0.10 117.51 122.05 2jps h ILE 35 Ca 0.23 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2jps h ILE 35 Cb 0.35 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2jps h ILE 35 CO -0.00 0.07 0.14 0.58 0.00 0.00 0.00 178.15 178.94 2jps h VAL 36 N 0.29 1.26 -0.91 1.67 2.07 -0.42 -1.45 116.25 118.77 2jps h VAL 36 Ca 0.08 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2jps h VAL 36 Cb -0.01 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 2jps h VAL 36 CO -0.02 0.39 0.56 0.25 0.02 0.00 0.00 177.57 178.77 2jps h LEU 37 N 1.06 0.87 -0.68 2.57 5.85 0.22 0.56 115.31 125.76 2jps h LEU 37 Ca 0.21 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 2jps h LEU 37 Cb 0.41 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jps h LEU 37 CO 0.01 0.54 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.42 2jps h LEU 38 N 1.00 0.86 -0.05 2.25 3.38 -0.57 -2.13 115.31 120.05 2jps h LEU 38 Ca 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jps h LEU 38 Cb 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jps h LEU 38 CO -0.19 1.01 0.01 0.40 0.09 0.00 0.00 178.44 179.76 2jps h ILE 39 N 0.76 1.22 0.00 1.22 1.08 0.09 -2.74 117.51 119.15 2jps h ILE 39 Ca 0.12 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2jps h ILE 39 Cb 0.68 1.58 -0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2jps h ILE 39 CO 0.05 0.19 -0.05 1.62 -0.69 0.00 0.00 178.15 179.27 2jps h VAL 40 N -0.17 0.57 -0.14 1.67 3.04 0.09 -2.46 116.25 118.86 2jps h VAL 40 Ca 0.02 -0.20 -0.19 0.00 -1.01 0.00 0.00 66.70 65.32 2jps h VAL 40 Cb 0.29 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2jps h VAL 40 CO 0.00 0.05 -0.68 0.78 -1.01 0.00 0.00 177.57 176.71 2jps h ASN 41 N 0.00 0.65 0.00 3.17 2.35 -1.08 -3.46 115.58 117.20 2jps h ASN 41 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2jps h ASN 41 Cb 0.12 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2jps h ASN 41 CO 0.01 1.14 0.00 0.61 -1.65 0.00 0.00 177.43 177.54 2jps n GLY 42 N 0.49 -1.22 0.00 2.83 0.00 -0.94 -5.08 105.19 101.28 2jps n GLY 42 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.39 0.63 3.15 -0.02 0.00 -1.16 -4.98 105.19 101.42 2jps n GLY 43 Ca 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.91 3.11 0.42 2.61 -4.23 -1.26 -4.98 115.64 110.39 2jps s THR 44 Ca 0.00 -1.65 0.21 0.00 -1.18 0.00 0.00 61.69 59.07 2jps s THR 44 Cb 0.00 -2.93 0.41 0.00 1.34 0.00 0.00 72.50 71.32 2jps s THR 44 CO 0.00 -0.34 1.78 0.58 -0.54 0.00 0.00 174.62 176.10 2jps h VAL 45 N 6.42 0.52 0.34 2.29 2.07 -1.96 0.93 116.25 126.85 2jps h VAL 45 Ca -0.17 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2jps h VAL 45 Cb 1.06 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jps h VAL 45 CO 0.59 0.06 -0.16 -0.08 0.02 0.00 0.00 177.57 178.00 2jps h GLU 46 N 0.33 -0.44 -0.28 1.57 4.57 -1.98 0.25 114.58 118.60 2jps h GLU 46 Ca 0.58 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.70 2jps h GLU 46 Cb 1.59 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 2jps h GLU 46 CO -0.25 -0.11 -0.20 1.03 -1.18 0.00 0.00 179.01 178.30 2jps h SER 47 N -0.87 0.50 -0.15 1.04 0.87 -1.76 -0.02 113.55 113.16 2jps h SER 47 Ca -0.05 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 2jps h SER 47 Cb 0.53 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2jps h SER 47 CO 0.08 0.71 -0.39 0.58 -0.53 0.00 0.00 176.83 177.28 2jps h VAL 48 N 0.46 1.29 -0.02 2.23 2.07 0.88 0.66 116.25 123.81 2jps h VAL 48 Ca 0.07 -1.55 -0.25 0.00 0.82 0.00 0.00 66.70 65.79 2jps h VAL 48 Cb 0.61 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2jps h VAL 48 CO 0.04 0.50 -0.99 0.58 0.02 0.00 0.00 177.57 177.72 2jps h VAL 49 N 0.56 1.30 -0.29 2.57 2.07 -0.27 -2.48 116.25 119.71 2jps h VAL 49 Ca 0.05 -2.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.23 2jps h VAL 49 Cb 0.91 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2jps h VAL 49 CO 0.08 0.69 -0.26 -0.78 0.02 0.00 0.00 177.57 177.32 2jps h ASP 50 N 0.39 0.59 -0.40 0.57 1.82 -0.94 -0.38 116.42 118.08 2jps h ASP 50 Ca -0.11 -0.21 -0.14 0.00 -0.39 0.00 0.00 57.03 56.18 2jps h ASP 50 Cb 1.63 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.48 2jps h ASP 50 CO 0.19 0.83 -0.30 -0.33 -1.61 0.00 0.00 179.24 178.02 2jps h GLU 51 N 0.50 0.91 -0.36 0.28 5.08 -0.87 -0.89 114.58 119.24 2jps h GLU 51 Ca 0.07 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.82 2jps h GLU 51 Cb 0.72 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jps h GLU 51 CO 0.06 1.10 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.68 2jps h LEU 52 N 0.72 0.99 -0.84 1.33 3.38 -1.31 -3.02 115.31 116.56 2jps h LEU 52 Ca 0.07 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2jps h LEU 52 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2jps h LEU 52 CO 0.08 1.27 0.19 0.00 0.09 0.00 0.00 178.44 180.06 2jps h ALA 53 N 0.75 1.05 -0.63 1.53 0.00 -0.99 0.85 119.26 121.81 2jps h ALA 53 Ca 0.05 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2jps h ALA 53 Cb 1.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2jps h ALA 53 CO 0.10 0.63 0.42 0.77 0.00 0.00 0.00 179.25 181.17 2jps h SER 54 N 1.01 0.58 0.08 0.00 0.02 -1.04 -2.54 113.55 111.66 2jps h SER 54 Ca 0.22 -0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.79 2jps h SER 54 Cb 0.32 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2jps h SER 54 CO -0.00 0.39 -2.16 0.18 -1.14 0.00 0.00 176.83 174.09 2jps n LEU 55 N -4.47 2.75 -3.96 5.07 4.77 -0.94 -4.55 117.00 115.67 2jps n LEU 55 Ca 0.09 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 2jps n LEU 55 Cb 0.20 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 2jps n LEU 55 CO 0.34 0.88 0.81 0.49 -1.33 0.00 0.00 177.39 178.58 2jps n PHE 56 N -3.42 3.17 1.25 -1.77 3.72 0.29 -4.83 117.46 115.87 2jps n PHE 56 Ca -0.37 -3.23 0.13 0.00 -0.05 0.00 0.00 57.45 53.92 2jps n PHE 56 Cb 1.02 -1.18 0.66 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.54 0.00 -1.88 4.37 -0.08 -0.97 -3.41 116.55 116.12 2jps n ASP 57 Ca 0.26 -0.17 -0.03 0.00 -1.51 0.00 0.00 54.79 53.34 2jps n ASP 57 Cb 0.36 -0.25 0.30 0.00 2.34 0.00 0.00 41.12 43.87 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jps n SER 58 N -1.25 4.77 -4.33 1.67 3.41 -1.26 -4.93 113.62 111.70 2jps n SER 58 Ca 0.13 -3.05 -0.26 0.00 -0.26 0.00 0.00 58.87 55.43 2jps n SER 58 Cb 0.19 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jps s VAL 59 N -2.73 1.92 0.30 -3.33 1.01 -1.22 -4.89 120.40 111.46 2jps s VAL 59 Ca 0.50 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2jps s VAL 59 Cb 0.40 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 2jps s VAL 59 CO 0.13 -0.03 1.23 -0.44 0.00 0.00 0.00 175.10 175.99 2jps s SER 60 N -2.03 6.97 0.43 3.32 0.01 -1.26 -4.90 113.70 116.24 2jps s SER 60 Ca 0.10 2.51 0.19 0.00 1.31 0.00 0.00 55.95 60.06 2jps s SER 60 Cb -0.10 -2.64 1.12 0.00 0.21 0.00 0.00 66.02 64.62 2jps s SER 60 CO 0.05 -0.39 1.87 0.03 0.41 0.00 0.00 173.24 175.21 2jps h ARG 61 N 3.68 0.35 -0.34 12.44 3.08 -1.98 0.35 114.38 131.95 2jps h ARG 61 Ca -0.48 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 2jps h ARG 61 Cb 1.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2jps h ARG 61 CO 0.67 0.23 -0.04 0.22 -1.07 0.00 0.00 179.97 179.98 2jps h ASP 62 N 0.36 0.52 -0.35 7.04 3.58 -1.99 -0.60 116.42 124.99 2jps h ASP 62 Ca 0.45 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.65 2jps h ASP 62 Cb 1.19 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2jps h ASP 62 CO -0.15 0.62 -0.33 0.74 -2.88 0.00 0.00 179.24 177.23 2jps h THR 63 N 0.52 1.28 -0.37 2.25 2.02 -1.29 -0.25 112.91 117.08 2jps h THR 63 Ca 0.11 -1.50 -0.17 0.00 0.77 0.00 0.00 66.41 65.62 2jps h THR 63 Cb 0.40 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2jps h THR 63 CO 0.02 0.50 -0.42 -0.07 0.37 0.00 0.00 175.52 175.92 2jps h LEU 64 N 0.63 1.00 -0.78 2.58 4.07 -1.31 -2.76 115.31 118.73 2jps h LEU 64 Ca 0.06 -0.47 -0.11 0.00 0.08 0.00 0.00 57.88 57.43 2jps h LEU 64 Cb 0.92 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2jps h LEU 64 CO 0.08 1.27 -0.29 0.00 -1.08 0.00 0.00 178.44 178.43 2jps h ALA 65 N 0.76 0.96 -0.82 1.53 0.00 -1.07 -1.57 119.26 119.05 2jps h ALA 65 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jps h ALA 65 Cb 1.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2jps h ALA 65 CO 0.10 0.61 0.38 -0.97 0.00 0.00 0.00 179.25 179.37 2jps h ASN 66 N 0.50 1.08 0.02 0.00 -0.00 -0.92 0.27 115.58 116.54 2jps h ASN 66 Ca 0.06 -0.14 -0.21 0.00 -0.00 0.00 0.00 56.30 56.01 2jps h ASN 66 Cb 0.76 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 2jps h ASN 66 CO 0.06 0.92 -0.76 0.58 -0.00 0.00 0.00 177.43 178.23 2jps h VAL 67 N 1.17 1.32 -0.25 2.57 2.07 -1.32 -2.82 116.25 118.98 2jps h VAL 67 Ca 0.28 -2.04 -0.09 0.00 0.82 0.00 0.00 66.70 65.66 2jps h VAL 67 Cb 0.13 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2jps h VAL 67 CO -0.03 0.63 -0.25 0.58 0.02 0.00 0.00 177.57 178.53 2jps h VAL 68 N 0.43 1.26 -0.20 2.57 2.07 -0.96 -2.58 116.25 118.85 2jps h VAL 68 Ca -0.04 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2jps h VAL 68 Cb 1.37 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2jps h VAL 68 CO 0.15 0.40 0.09 -0.61 0.02 0.00 0.00 177.57 177.62 2jps h GLN 69 N 0.42 0.29 -0.03 1.57 4.15 -0.36 -1.44 115.11 119.72 2jps h GLN 69 Ca 0.06 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2jps h GLN 69 Cb 0.66 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2jps h GLN 69 CO 0.05 0.32 -0.14 0.00 -1.93 0.00 0.00 178.83 177.13 2jps h THR 70 N 0.18 1.12 -0.29 2.39 1.03 -1.38 -1.55 112.91 114.40 2jps h THR 70 Ca 0.07 -0.56 -0.17 0.00 -0.01 0.00 0.00 66.41 65.74 2jps h THR 70 Cb 0.13 1.26 -0.00 0.00 -1.07 0.00 0.00 68.15 68.47 2jps h THR 70 CO -0.01 0.16 -0.48 0.00 -0.01 0.00 0.00 175.52 175.18 2jps h ALA 71 N 1.82 0.60 0.12 0.00 0.00 -1.03 0.38 119.26 121.14 2jps h ALA 71 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 71 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jps h ALA 71 CO 0.02 0.68 -0.06 0.74 0.00 0.00 0.00 179.25 180.63 2jps h PHE 72 N 0.63 -0.15 -0.61 0.00 -1.00 -0.61 0.36 116.94 115.55 2jps h PHE 72 Ca 0.03 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 2jps h PHE 72 Cb 1.06 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.64 2jps h PHE 72 CO 0.06 0.10 0.25 0.35 -1.61 0.00 0.00 178.31 177.46 2jps h PHE 73 N -0.39 0.93 -0.76 -0.55 3.57 -1.30 -2.41 116.94 116.03 2jps h PHE 73 Ca -0.02 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 2jps h PHE 73 Cb 0.32 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2jps h PHE 73 CO 0.00 0.74 0.37 0.00 -2.23 0.00 0.00 178.31 177.19 2jps h ALA 74 N 1.09 1.22 -1.00 2.41 0.00 -0.06 -2.21 119.26 120.71 2jps h ALA 74 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jps h ALA 74 Cb 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2jps h ALA 74 CO -0.02 0.60 0.66 1.25 0.00 0.00 0.00 179.25 181.74 2jps h LEU 75 N 1.08 1.10 -0.46 0.00 6.46 0.21 -1.23 115.31 122.47 2jps h LEU 75 Ca 0.26 -0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.90 2jps h LEU 75 Cb 0.10 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2jps h LEU 75 CO -0.03 0.76 -0.15 -0.33 -0.62 0.00 0.00 178.44 178.06 2jps h GLU 76 N 1.28 0.91 -0.81 1.25 5.08 -1.12 -2.93 114.58 118.24 2jps h GLU 76 Ca 0.39 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jps h GLU 76 Cb -0.02 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2jps h GLU 76 CO -0.12 1.02 0.47 0.00 -1.00 0.00 0.00 179.01 179.38 2jps h ALA 77 N 0.86 1.31 -0.90 3.43 0.00 -0.80 -2.26 119.26 120.89 2jps h ALA 77 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jps h ALA 77 Cb 0.71 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2jps h ALA 77 CO 0.05 0.58 0.59 -0.07 0.00 0.00 0.00 179.25 180.41 2jps h LEU 78 N 1.12 0.98 -1.68 0.00 3.38 -1.07 -1.47 115.31 116.57 2jps h LEU 78 Ca 0.29 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.32 2jps h LEU 78 Cb -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2jps h LEU 78 CO -0.05 0.68 0.35 1.56 0.09 0.00 0.00 178.44 181.07 2jps h GLN 79 N 1.14 0.37 0.22 1.13 7.50 -1.33 -2.56 115.11 121.59 2jps h GLN 79 Ca 0.35 -0.02 -0.34 0.00 0.50 0.00 0.00 58.65 59.14 2jps h GLN 79 Cb -0.01 -0.08 0.02 0.00 0.05 0.00 0.00 27.48 27.47 2jps h GLN 79 CO -0.10 0.24 -1.61 0.37 -1.50 0.00 0.00 178.83 176.23 2jps h GLN 80 N 0.38 0.47 0.00 1.46 4.15 -1.32 -3.49 115.11 116.75 2jps h GLN 80 Ca 0.23 -0.80 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2jps h GLN 80 Cb 0.44 0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2jps h GLN 80 CO -0.06 1.38 0.00 0.41 -1.93 0.00 0.00 178.83 178.63 2jps n GLY 81 N 1.79 0.72 3.79 2.39 0.00 -0.77 -5.15 105.19 107.96 2jps n GLY 81 Ca -0.21 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.07 1.61 2.02 -1.24 -5.01 118.70 118.23 2jps s GLU 82 Ca 0.00 -2.36 0.03 0.00 0.02 0.00 0.00 54.97 52.66 2jps s GLU 82 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 2jps s GLU 82 CO 0.00 -0.42 -0.16 -1.12 0.02 0.00 0.00 175.26 173.57 2jps s SER 83 N -3.95 3.85 -0.20 -0.19 0.01 -1.26 -4.97 113.70 106.98 2jps s SER 83 Ca 0.08 -0.28 0.12 0.00 1.31 0.00 0.00 55.95 57.18 2jps s SER 83 Cb 0.00 -0.99 -0.23 0.00 0.21 0.00 0.00 66.02 65.02 2jps s SER 83 CO 0.05 0.29 0.07 0.00 0.41 0.00 0.00 173.24 174.05 2jps n ALA 84 N 2.67 1.45 -0.21 1.44 0.00 -1.26 -4.38 120.51 120.22 2jps n ALA 84 Ca -0.17 -1.17 0.12 0.00 0.00 0.00 0.00 53.44 52.22 2jps n ALA 84 Cb 0.52 -0.26 0.42 0.00 0.00 0.00 0.00 19.45 20.13 2jps n ALA 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jps h GLU 85 N 0.00 0.59 -0.83 0.00 4.11 -1.95 -1.00 114.58 115.50 2jps h GLU 85 Ca -0.52 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 58.91 2jps h GLU 85 Cb 2.11 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.18 2jps h GLU 85 CO 0.00 0.39 0.55 -0.91 0.07 0.00 0.00 179.01 179.11 2jps h ASN 86 N 0.60 0.88 -0.46 3.06 2.35 -2.02 -1.72 115.58 118.27 2jps h ASN 86 Ca 0.39 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.08 2jps h ASN 86 Cb 0.68 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2jps h ASN 86 CO -0.16 0.60 0.10 0.40 -1.65 0.00 0.00 177.43 176.73 2jps h ILE 87 N 1.02 1.23 -0.69 2.81 2.04 -1.41 -2.59 117.51 119.92 2jps h ILE 87 Ca 0.33 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2jps h ILE 87 Cb 0.05 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2jps h ILE 87 CO -0.10 0.31 0.39 0.58 0.00 0.00 0.00 178.15 179.33 2jps h VAL 88 N 0.78 1.20 -0.92 1.67 2.07 -1.28 -2.13 116.25 117.64 2jps h VAL 88 Ca 0.17 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.31 2jps h VAL 88 Cb 0.33 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2jps h VAL 88 CO 0.00 0.22 0.56 0.28 0.02 0.00 0.00 177.57 178.65 2jps h SER 89 N 0.96 0.83 0.11 0.57 0.02 -1.32 0.45 113.55 115.17 2jps h SER 89 Ca 0.25 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 2jps h SER 89 Cb -0.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2jps h SER 89 CO -0.04 0.47 -0.44 0.50 -1.14 0.00 0.00 176.83 176.17 2jps h LYS 90 N 0.93 0.40 -0.16 3.45 3.64 -1.43 -0.53 116.57 122.87 2jps h LYS 90 Ca 0.44 -0.21 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 2jps h LYS 90 Cb 0.38 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2jps h LYS 90 CO -0.24 0.77 -0.77 0.82 -2.27 0.00 0.00 179.45 177.76 2jps h ILE 91 N 0.33 1.28 -0.27 2.00 1.08 -0.63 0.14 117.51 121.44 2jps h ILE 91 Ca 0.02 -1.96 -0.15 0.00 -0.39 0.00 0.00 64.86 62.38 2jps h ILE 91 Cb 0.91 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 2jps h ILE 91 CO 0.08 0.62 -0.44 0.03 -0.69 0.00 0.00 178.15 177.75 2jps h ARG 92 N 0.55 0.68 -0.09 2.37 2.47 -0.11 0.38 114.38 120.63 2jps h ARG 92 Ca -0.05 -0.38 -0.22 0.00 -1.26 0.00 0.00 59.98 58.08 2jps h ARG 92 Cb 1.39 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.74 2jps h ARG 92 CO 0.16 0.99 -0.83 0.52 0.56 0.00 0.00 179.97 181.36 2jps h MET 93 N 0.55 0.62 -0.04 0.04 2.86 -1.09 0.21 114.93 118.08 2jps h MET 93 Ca 0.04 -0.55 -0.23 0.00 -2.06 0.00 0.00 59.70 56.90 2jps h MET 93 Cb 0.99 0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.78 2jps h MET 93 CO 0.09 1.17 -0.91 1.98 1.06 0.00 0.00 176.91 180.30 2jps h MET 94 N 0.40 0.55 -0.01 1.72 1.85 -0.90 -1.47 114.93 117.08 2jps h MET 94 Ca -0.06 -0.55 -0.21 0.00 -0.61 0.00 0.00 59.70 58.27 2jps h MET 94 Cb 1.45 0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.62 2jps h MET 94 CO 0.16 1.17 -0.90 -0.91 -0.40 0.00 0.00 176.91 176.03 2jps h ASN 95 N 0.33 0.43 -0.09 1.39 2.35 -0.27 -3.00 115.58 116.71 2jps h ASN 95 Ca -0.08 -0.34 -0.15 0.00 -0.55 0.00 0.00 56.30 55.18 2jps h ASN 95 Cb 1.54 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 2jps h ASN 95 CO 0.17 1.13 -0.46 0.00 -1.65 0.00 0.00 177.43 176.62 2jps h ALA 96 N 0.84 0.72 -0.88 -0.83 0.00 -0.60 -3.02 119.26 115.49 2jps h ALA 96 Ca -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 96 Cb 1.52 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2jps h ALA 96 CO 0.15 0.67 0.48 0.37 0.00 0.00 0.00 179.25 180.92 2jps h GLN 97 N 0.52 1.23 -0.83 0.00 -0.00 -1.26 0.79 115.11 115.56 2jps h GLN 97 Ca 0.03 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2jps h GLN 97 Cb 1.00 -0.24 -0.04 0.00 0.00 0.00 0.00 27.48 28.20 2jps h GLN 97 CO 0.09 0.90 0.50 1.03 0.00 0.00 0.00 178.83 181.35 2jps h SER 98 N 1.23 0.98 -0.64 -0.69 0.87 -1.41 -2.95 113.55 110.94 2jps h SER 98 Ca 0.31 -0.05 -0.46 0.00 -1.23 0.00 0.00 61.79 60.35 2jps h SER 98 Cb 0.03 -0.25 -0.34 0.00 -0.44 0.00 0.00 62.40 61.40 2jps h SER 98 CO -0.05 0.75 -0.60 -0.11 -0.53 0.00 0.00 176.83 176.29 2jps n LEU 99 N -4.38 4.80 -3.51 2.23 7.94 -0.87 -4.85 117.00 118.36 2jps n LEU 99 Ca 0.09 -4.54 -0.40 0.00 -1.11 0.00 0.00 56.01 50.05 2jps n LEU 99 Cb 0.06 -0.43 0.01 0.00 0.53 0.00 0.00 43.42 43.59 2jps n LEU 99 CO 0.37 1.91 1.69 0.61 -1.11 0.00 0.00 177.39 180.87 2jps n GLY 100 N -0.81 5.82 2.99 -3.96 0.00 0.27 -4.87 105.19 104.63 2jps n GLY 100 Ca 0.41 -2.42 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.46 2.13 -1.45 1.61 -1.52 -1.26 -4.78 119.66 110.92 2jps s GLN 101 Ca 0.44 -0.49 -0.08 0.00 -1.95 0.00 0.00 55.36 53.28 2jps s GLN 101 Cb 0.22 -1.99 0.05 0.00 -0.22 0.00 0.00 33.01 31.07 2jps s GLN 101 CO -0.15 -0.24 0.83 0.43 -0.25 0.00 0.00 175.29 175.91 2jps n SER 102 N 4.80 -3.09 -2.35 5.90 7.64 -1.26 -4.90 113.62 120.36 2jps n SER 102 Ca -0.16 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.63 2jps n SER 102 Cb 0.50 -3.82 0.01 0.00 -1.01 0.00 0.00 64.21 59.89 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jps n ASP 103 N -2.92 4.79 0.03 6.43 -0.08 -1.26 -4.79 116.55 118.75 2jps n ASP 103 Ca -0.11 -3.73 -0.01 0.00 -1.51 0.00 0.00 54.79 49.43 2jps n ASP 103 Cb 0.59 -0.43 -0.00 0.00 2.34 0.00 0.00 41.12 43.62 2jps n ASP 103 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2jps n ILE 104 N -0.55 1.07 -0.31 5.18 5.41 -1.26 -5.13 119.36 123.78 2jps n ILE 104 Ca 0.41 0.31 0.00 0.00 1.00 0.00 0.00 62.75 64.47 2jps n ILE 104 Cb 0.75 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 38.04 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55