#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 0.42 -0.60 3.17 1.04 -1.26 -5.08 113.70 111.39 2jps s SER 2 Ca 0.00 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.45 2jps s SER 2 Cb 0.00 -0.17 0.26 0.00 0.10 0.00 0.00 66.02 66.21 2jps s SER 2 CO 0.00 -0.04 0.73 0.00 0.98 0.00 0.00 173.24 174.91 2jps n GLN 3 N 3.69 2.32 -0.07 4.02 1.13 -1.26 -4.86 117.38 122.35 2jps n GLN 3 Ca -0.22 -4.48 -0.17 0.00 -1.94 0.00 0.00 57.00 50.19 2jps n GLN 3 Cb 0.54 -2.11 -0.13 0.00 0.11 0.00 0.00 30.24 28.64 2jps n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jps n GLU 4 N 0.85 0.69 -0.28 -1.09 4.71 -1.26 -3.57 120.64 120.69 2jps n GLU 4 Ca 0.29 0.18 0.13 0.00 -0.01 0.00 0.00 57.16 57.74 2jps n GLU 4 Cb 0.43 -1.60 0.38 0.00 -1.01 0.00 0.00 31.44 29.64 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 2jps h GLN 5 N 0.02 0.66 -0.02 3.49 3.07 -1.99 0.85 115.11 121.20 2jps h GLN 5 Ca -0.50 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 57.98 2jps h GLN 5 Cb 2.00 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 29.42 2jps h GLN 5 CO -0.00 0.43 -0.91 1.88 0.09 0.00 0.00 178.83 180.32 2jps h TYR 6 N 0.68 0.68 -0.42 0.06 -1.99 -1.97 -1.90 116.97 112.10 2jps h TYR 6 Ca 0.47 -0.35 -0.12 0.00 2.00 0.00 0.00 58.73 60.72 2jps h TYR 6 Cb 0.78 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 2jps h TYR 6 CO -0.00 1.17 -0.21 1.15 -0.00 0.00 0.00 178.16 180.26 2jps h THR 7 N 0.27 1.28 -0.43 -2.88 2.02 -0.81 0.84 112.91 113.19 2jps h THR 7 Ca -0.08 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 65.61 2jps h THR 7 Cb 1.54 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2jps h THR 7 CO 0.16 0.46 -0.25 -0.08 0.37 0.00 0.00 175.52 176.18 2jps h GLU 8 N 0.72 0.94 -0.04 6.66 4.57 0.56 0.32 114.58 128.31 2jps h GLU 8 Ca 0.09 -0.43 -0.25 0.00 -1.18 0.00 0.00 59.36 57.60 2jps h GLU 8 Cb 0.78 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2jps h GLU 8 CO 0.06 1.09 -0.97 -0.91 -1.18 0.00 0.00 179.01 177.10 2jps h ASN 9 N 0.77 0.86 -0.38 1.04 4.21 -1.27 -3.13 115.58 117.68 2jps h ASN 9 Ca 0.09 -0.66 -0.10 0.00 1.21 0.00 0.00 56.30 56.85 2jps h ASN 9 Cb 0.83 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.75 2jps h ASN 9 CO 0.07 1.46 -0.11 0.25 -1.29 0.00 0.00 177.43 177.81 2jps h LEU 10 N 0.40 0.81 -1.66 1.61 5.85 0.78 -2.63 115.31 120.49 2jps h LEU 10 Ca -0.10 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.40 2jps h LEU 10 Cb 1.61 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 2jps h LEU 10 CO 0.19 0.94 0.28 0.50 -0.34 0.00 0.00 178.44 180.01 2jps h LYS 11 N 0.74 0.43 -0.07 1.25 3.64 -0.35 0.18 116.57 122.40 2jps h LYS 11 Ca 0.12 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2jps h LYS 11 Cb 0.60 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2jps h LYS 11 CO 0.04 0.29 -0.35 0.28 -2.27 0.00 0.00 179.45 177.44 2jps h VAL 12 N 0.45 1.42 -0.37 2.00 2.07 -1.42 -2.22 116.25 118.18 2jps h VAL 12 Ca 0.17 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 2jps h VAL 12 Cb 0.12 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2jps h VAL 12 CO -0.04 0.51 -0.06 0.40 0.02 0.00 0.00 177.57 178.40 2jps h ILE 13 N -0.14 1.23 -0.52 4.57 2.04 -1.16 -2.66 117.51 120.88 2jps h ILE 13 Ca -0.02 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 2jps h ILE 13 Cb 1.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2jps h ILE 13 CO 0.07 0.33 -0.06 0.58 0.00 0.00 0.00 178.15 179.07 2jps h VAL 14 N 0.58 1.27 -0.64 1.67 2.07 -0.66 -2.77 116.25 117.77 2jps h VAL 14 Ca 0.11 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2jps h VAL 14 Cb 0.45 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2jps h VAL 14 CO 0.02 0.42 0.42 0.00 0.02 0.00 0.00 177.57 178.45 2jps h ALA 15 N 0.92 1.62 -0.96 1.67 0.00 -1.07 -1.81 119.26 119.64 2jps h ALA 15 Ca 0.14 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2jps h ALA 15 Cb 0.61 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2jps h ALA 15 CO 0.04 0.32 0.61 1.49 0.00 0.00 0.00 179.25 181.71 2jps h GLU 16 N 0.79 0.89 0.24 0.00 4.81 -1.18 0.53 114.58 120.65 2jps h GLU 16 Ca 0.25 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 59.10 2jps h GLU 16 Cb 0.02 -0.20 0.04 0.00 0.63 0.00 0.00 28.75 29.24 2jps h GLU 16 CO -0.06 0.59 -1.40 0.87 -0.73 0.00 0.00 179.01 178.28 2jps h LYS 17 N 0.92 0.53 0.53 1.92 1.79 -1.41 -2.31 116.57 118.54 2jps h LYS 17 Ca 0.47 -0.89 -0.03 0.00 -2.18 0.00 0.00 60.65 58.03 2jps h LYS 17 Cb 0.52 0.33 0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2jps h LYS 17 CO -0.24 1.42 -0.25 -0.07 -1.08 0.00 0.00 179.45 179.23 2jps h LEU 18 N 0.10 -0.60 -2.03 2.94 3.38 -0.70 -1.49 115.31 116.91 2jps h LEU 18 Ca -0.24 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.74 2jps h LEU 18 Cb 2.10 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.00 2jps h LEU 18 CO 0.26 -0.27 0.16 0.00 0.09 0.00 0.00 178.44 178.69 2jps h ALA 19 N -0.63 2.17 -0.09 1.53 0.00 -0.09 -1.65 119.26 120.49 2jps h ALA 19 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2jps h ALA 19 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jps h ALA 19 CO 0.12 -0.28 -0.67 0.78 0.00 0.00 0.00 179.25 179.20 2jps h GLY 20 N 0.00 0.41 -4.91 0.00 0.00 -1.12 -3.44 103.07 94.00 2jps h GLY 20 Ca 0.11 -0.54 -0.58 0.00 0.00 0.00 0.00 47.33 46.32 2jps h GLY 20 CO -0.00 0.48 0.81 1.39 0.00 0.00 0.00 176.54 179.22 2jps n ILE 21 N -3.86 0.06 0.18 2.60 5.41 -0.59 -4.87 119.36 118.29 2jps n ILE 21 Ca -0.04 -0.02 0.05 0.00 1.00 0.00 0.00 62.75 63.75 2jps n ILE 21 Cb 0.67 -1.59 0.29 0.00 -0.71 0.00 0.00 39.64 38.30 2jps n ILE 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2jps h PRO 22 N 5.90 0.00 -0.89 0.38 0.13 -1.87 -3.18 132.00 132.47 2jps h PRO 22 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2jps h PRO 22 Cb 1.25 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 2jps h PRO 22 CO 0.89 0.40 0.54 0.09 -0.23 0.00 0.00 178.00 179.69 2jps n ASN 23 N -3.50 3.92 -3.74 1.44 3.02 -1.26 -4.75 115.26 110.39 2jps n ASN 23 Ca 0.00 -3.66 -0.28 0.00 -0.03 0.00 0.00 54.58 50.61 2jps n ASN 23 Cb 0.54 -0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 38.79 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2jps n PHE 24 N -1.12 2.76 -1.70 3.10 -0.00 -1.20 -4.91 117.46 114.39 2jps n PHE 24 Ca 0.56 -4.16 -0.25 0.00 -0.00 0.00 0.00 57.45 53.60 2jps n PHE 24 Cb 1.47 -0.51 0.07 0.00 -0.00 0.00 0.00 39.48 40.51 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2jps n ASN 25 N 1.85 5.50 -3.69 -2.13 4.13 -1.26 -4.78 115.26 114.87 2jps n ASN 25 Ca 0.23 -3.77 -0.12 0.00 1.68 0.00 0.00 54.58 52.60 2jps n ASN 25 Cb 0.38 -0.60 -0.12 0.00 -1.54 0.00 0.00 39.78 37.90 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jps s GLU 26 N -3.63 0.26 -1.39 3.52 2.02 -1.26 -4.90 118.70 113.32 2jps s GLU 26 Ca 0.55 0.72 -0.11 0.00 0.02 0.00 0.00 54.97 56.15 2jps s GLU 26 Cb 0.44 -0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.74 2jps s GLU 26 CO 0.02 -0.20 0.61 -0.25 0.02 0.00 0.00 175.26 175.45 2jps n ASP 27 N 4.65 -3.99 0.16 -0.19 9.92 -1.26 -4.84 116.55 121.01 2jps n ASP 27 Ca -0.18 -0.52 0.02 0.00 -0.53 0.00 0.00 54.79 53.58 2jps n ASP 27 Cb 0.52 -3.27 0.35 0.00 -0.64 0.00 0.00 41.12 38.08 2jps n ASP 27 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2jps h ILE 28 N -1.22 1.25 0.13 0.53 -0.00 -1.90 0.81 117.51 117.10 2jps h ILE 28 Ca -0.48 -1.19 -0.33 0.00 -0.00 0.00 0.00 64.86 62.86 2jps h ILE 28 Cb 1.32 1.58 -0.01 0.00 -0.00 0.00 0.00 36.82 39.71 2jps h ILE 28 CO 0.59 0.35 -1.69 0.50 -0.00 0.00 0.00 178.15 177.90 2jps h LYS 29 N 0.08 0.28 -0.01 2.19 1.63 -1.98 -3.20 116.57 115.55 2jps h LYS 29 Ca 0.01 -0.47 -0.15 0.00 -0.85 0.00 0.00 60.65 59.19 2jps h LYS 29 Cb 0.62 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 2jps h LYS 29 CO 0.04 1.14 -0.70 1.88 -3.45 0.00 0.00 179.45 178.36 2jps h TYR 30 N 0.08 0.08 -0.27 1.91 0.05 -1.90 -3.15 116.97 113.76 2jps h TYR 30 Ca -0.31 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.31 2jps h TYR 30 Cb 2.04 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.76 2jps h TYR 30 CO 0.07 0.74 -0.36 -0.24 -1.05 0.00 0.00 178.16 177.32 2jps h VAL 31 N 0.04 1.29 -0.78 -2.88 3.04 0.52 -2.92 116.25 114.56 2jps h VAL 31 Ca -0.01 -1.50 -0.05 0.00 -1.01 0.00 0.00 66.70 64.13 2jps h VAL 31 Cb 1.24 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 31.96 2jps h VAL 31 CO 0.10 0.48 0.29 0.00 -1.01 0.00 0.00 177.57 177.43 2jps h ALA 32 N 1.10 1.03 -0.19 3.17 0.00 -1.54 -0.88 119.26 121.96 2jps h ALA 32 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jps h ALA 32 Cb 0.85 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jps h ALA 32 CO 0.07 0.67 0.12 0.93 0.00 0.00 0.00 179.25 181.04 2jps h GLU 33 N 1.15 0.25 -0.82 0.00 5.08 -1.50 0.30 114.58 119.03 2jps h GLU 33 Ca 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2jps h GLU 33 Cb 0.25 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2jps h GLU 33 CO -0.02 0.18 0.45 -0.92 -1.00 0.00 0.00 179.01 177.70 2jps h TYR 34 N 0.24 1.12 -0.08 4.33 3.20 -1.32 0.19 116.97 124.66 2jps h TYR 34 Ca 0.07 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jps h TYR 34 Cb -0.01 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.06 0.78 0.05 0.82 -1.64 0.00 0.00 178.16 178.10 2jps h ILE 35 N 1.15 1.06 -0.70 1.81 2.04 -0.50 0.28 117.51 122.65 2jps h ILE 35 Ca 0.29 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2jps h ILE 35 Cb 0.02 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2jps h ILE 35 CO -0.05 0.05 0.31 0.58 0.00 0.00 0.00 178.15 179.05 2jps h VAL 36 N 0.06 1.24 -0.82 1.67 2.07 -0.52 -0.77 116.25 119.18 2jps h VAL 36 Ca 0.03 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.90 2jps h VAL 36 Cb 0.05 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2jps h VAL 36 CO -0.01 0.29 0.49 0.25 0.02 0.00 0.00 177.57 178.62 2jps h LEU 37 N 0.99 0.76 -0.48 2.57 5.85 -0.16 0.49 115.31 125.32 2jps h LEU 37 Ca 0.24 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2jps h LEU 37 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2jps h LEU 37 CO -0.02 0.48 0.12 -0.07 -0.34 0.00 0.00 178.44 178.60 2jps h LEU 38 N 0.89 0.73 -0.55 2.25 3.38 -0.35 0.11 115.31 121.77 2jps h LEU 38 Ca 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 38 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2jps h LEU 38 CO -0.19 0.77 0.36 0.40 0.09 0.00 0.00 178.44 179.88 2jps h ILE 39 N 0.66 1.15 0.00 1.22 1.08 0.32 -1.44 117.51 120.49 2jps h ILE 39 Ca 0.15 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 2jps h ILE 39 Cb 0.32 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2jps h ILE 39 CO 0.00 0.14 -0.31 0.58 -0.69 0.00 0.00 178.15 177.87 2jps h VAL 40 N 0.74 0.95 -0.04 1.67 2.07 0.25 -3.00 116.25 118.90 2jps h VAL 40 Ca 0.20 -1.17 -0.18 0.00 0.82 0.00 0.00 66.70 66.36 2jps h VAL 40 Cb -0.08 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2jps h VAL 40 CO -0.04 0.30 -0.77 0.78 0.02 0.00 0.00 177.57 177.86 2jps h ASN 41 N 0.00 0.35 0.00 0.57 2.35 0.22 -3.46 115.58 115.61 2jps h ASN 41 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2jps h ASN 41 Cb 0.66 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2jps h ASN 41 CO 0.04 0.99 0.00 0.61 -1.65 0.00 0.00 177.43 177.42 2jps n GLY 42 N 0.64 -1.49 0.07 2.83 0.00 -0.74 -5.07 105.19 101.42 2jps n GLY 42 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.50 0.58 3.09 -0.02 0.00 -1.17 -4.98 105.19 101.19 2jps n GLY 43 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.28 1.96 0.31 2.61 -4.23 -1.26 -5.01 115.64 108.74 2jps s THR 44 Ca 0.00 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 2jps s THR 44 Cb 0.00 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.33 2jps s THR 44 CO 0.00 0.47 1.84 0.58 -0.54 0.00 0.00 174.62 176.98 2jps h VAL 45 N 6.03 0.87 0.11 2.29 2.07 -1.96 0.87 116.25 126.54 2jps h VAL 45 Ca -0.42 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2jps h VAL 45 Cb 1.13 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jps h VAL 45 CO 0.60 0.16 -0.05 -0.08 0.02 0.00 0.00 177.57 178.21 2jps h GLU 46 N 0.86 -0.14 -0.24 1.57 4.57 -1.97 0.82 114.58 120.04 2jps h GLU 46 Ca 0.49 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.53 2jps h GLU 46 Cb 0.62 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2jps h GLU 46 CO -0.25 0.09 -0.45 0.77 -1.18 0.00 0.00 179.01 177.98 2jps h SER 47 N -0.36 0.65 0.03 1.04 0.02 -1.84 0.94 113.55 114.02 2jps h SER 47 Ca -0.02 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.47 2jps h SER 47 Cb 0.30 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2jps h SER 47 CO 0.03 1.00 -0.52 0.58 -1.14 0.00 0.00 176.83 176.78 2jps h VAL 48 N 0.48 1.32 0.09 2.27 2.07 0.88 -0.06 116.25 123.31 2jps h VAL 48 Ca 0.03 -1.75 -0.27 0.00 0.82 0.00 0.00 66.70 65.53 2jps h VAL 48 Cb 0.98 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2jps h VAL 48 CO 0.09 0.54 -1.15 0.58 0.02 0.00 0.00 177.57 177.65 2jps h VAL 49 N 0.42 1.38 -0.15 2.57 2.07 0.78 -2.63 116.25 120.68 2jps h VAL 49 Ca 0.01 -2.62 -0.13 0.00 0.82 0.00 0.00 66.70 64.79 2jps h VAL 49 Cb 1.05 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2jps h VAL 49 CO 0.10 0.78 -0.45 -0.78 0.02 0.00 0.00 177.57 177.24 2jps h ASP 50 N 0.21 0.40 -0.17 0.57 3.58 -0.77 -0.93 116.42 119.31 2jps h ASP 50 Ca -0.14 -0.19 -0.20 0.00 0.42 0.00 0.00 57.03 56.93 2jps h ASP 50 Cb 1.83 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.77 2jps h ASP 50 CO 0.21 0.81 -0.64 -0.33 -2.88 0.00 0.00 179.24 176.40 2jps h GLU 51 N 0.31 0.78 -0.31 0.28 5.08 -1.03 -1.86 114.58 117.83 2jps h GLU 51 Ca 0.02 -0.55 -0.17 0.00 -1.00 0.00 0.00 59.36 57.66 2jps h GLU 51 Cb 0.92 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jps h GLU 51 CO 0.08 1.17 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.72 2jps h LEU 52 N 0.58 0.90 -0.75 1.33 3.38 -1.39 -3.04 115.31 116.31 2jps h LEU 52 Ca -0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2jps h LEU 52 Cb 1.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2jps h LEU 52 CO 0.13 1.22 0.20 0.00 0.09 0.00 0.00 178.44 180.08 2jps h ALA 53 N 0.81 0.98 -0.60 1.53 0.00 -1.14 0.78 119.26 121.61 2jps h ALA 53 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jps h ALA 53 Cb 1.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 53 CO 0.11 0.67 0.40 1.03 0.00 0.00 0.00 179.25 181.45 2jps h SER 54 N 1.09 0.55 0.11 0.00 0.87 -1.24 -2.16 113.55 112.77 2jps h SER 54 Ca 0.23 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.42 2jps h SER 54 Cb 0.35 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2jps h SER 54 CO -0.00 0.37 -2.04 -0.11 -0.53 0.00 0.00 176.83 174.51 2jps n LEU 55 N -4.47 2.67 -3.87 2.23 0.00 -0.94 -4.52 117.00 108.10 2jps n LEU 55 Ca 0.08 0.18 -0.37 0.00 0.00 0.00 0.00 56.01 55.89 2jps n LEU 55 Cb 0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 43.42 42.49 2jps n LEU 55 CO 0.34 0.86 0.67 0.49 0.00 0.00 0.00 177.39 179.75 2jps n PHE 56 N -3.47 3.19 1.14 1.96 3.72 0.27 -4.85 117.46 119.42 2jps n PHE 56 Ca -0.33 -3.39 0.12 0.00 -0.05 0.00 0.00 57.45 53.79 2jps n PHE 56 Cb 1.04 -1.06 0.61 0.00 -0.94 0.00 0.00 39.48 39.13 2jps n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jps n ASP 57 N 1.43 0.00 -1.98 4.37 5.75 -0.83 -3.37 116.55 121.92 2jps n ASP 57 Ca 0.26 -0.06 -0.07 0.00 -0.01 0.00 0.00 54.79 54.92 2jps n ASP 57 Cb 0.36 -0.29 0.29 0.00 -1.03 0.00 0.00 41.12 40.46 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jps n SER 58 N -1.29 4.69 -4.23 -1.12 7.64 -1.26 -4.92 113.62 113.12 2jps n SER 58 Ca 0.11 -3.18 -0.26 0.00 1.01 0.00 0.00 58.87 56.56 2jps n SER 58 Cb 0.19 -0.74 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jps s VAL 59 N -2.88 1.61 0.34 0.44 1.01 -1.22 -5.11 120.40 114.60 2jps s VAL 59 Ca 0.53 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2jps s VAL 59 Cb 0.42 -1.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.31 2jps s VAL 59 CO 0.13 0.27 1.49 -0.44 0.00 0.00 0.00 175.10 176.55 2jps s SER 60 N -0.95 6.43 0.44 3.32 0.01 -1.26 -4.86 113.70 116.83 2jps s SER 60 Ca 0.07 2.95 0.20 0.00 1.31 0.00 0.00 55.95 60.48 2jps s SER 60 Cb -0.08 -2.65 1.15 0.00 0.21 0.00 0.00 66.02 64.65 2jps s SER 60 CO 0.01 -0.83 1.87 0.03 0.41 0.00 0.00 173.24 174.73 2jps h ARG 61 N 3.69 0.32 -0.29 12.44 3.08 -1.98 0.38 114.38 132.02 2jps h ARG 61 Ca -0.49 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.47 2jps h ARG 61 Cb 1.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 2jps h ARG 61 CO 0.69 0.21 -0.13 0.22 -1.07 0.00 0.00 179.97 179.90 2jps h ASP 62 N 0.33 0.47 -0.35 7.04 3.58 -1.99 -0.80 116.42 124.71 2jps h ASP 62 Ca 0.44 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.63 2jps h ASP 62 Cb 1.20 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 2jps h ASP 62 CO -0.14 0.63 -0.32 0.74 -2.88 0.00 0.00 179.24 177.28 2jps h THR 63 N 0.45 1.29 -0.36 2.25 2.02 -1.27 -1.51 112.91 115.77 2jps h THR 63 Ca 0.08 -1.48 -0.13 0.00 0.77 0.00 0.00 66.41 65.65 2jps h THR 63 Cb 0.49 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2jps h THR 63 CO 0.03 0.49 -0.27 -0.07 0.37 0.00 0.00 175.52 176.06 2jps h LEU 64 N 0.61 0.87 -1.30 2.58 4.07 -1.33 -2.91 115.31 117.91 2jps h LEU 64 Ca 0.06 -0.44 -0.03 0.00 0.08 0.00 0.00 57.88 57.54 2jps h LEU 64 Cb 0.90 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 2jps h LEU 64 CO 0.08 1.13 0.11 0.00 -1.08 0.00 0.00 178.44 178.68 2jps h ALA 65 N 0.77 1.44 -0.61 1.53 0.00 -1.10 -1.71 119.26 119.58 2jps h ALA 65 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 65 Cb 0.85 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jps h ALA 65 CO 0.07 0.41 0.39 -0.91 0.00 0.00 0.00 179.25 179.21 2jps h ASN 66 N 0.58 0.71 -0.09 0.00 2.35 -1.07 0.47 115.58 118.53 2jps h ASN 66 Ca 0.14 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 2jps h ASN 66 Cb 0.20 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2jps h ASN 66 CO -0.01 0.54 -0.54 0.58 -1.65 0.00 0.00 177.43 176.35 2jps h VAL 67 N 0.83 1.30 -0.29 2.81 2.07 -1.38 -2.45 116.25 119.15 2jps h VAL 67 Ca 0.22 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 2jps h VAL 67 Cb -0.06 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2jps h VAL 67 CO -0.05 0.56 -0.25 0.58 0.02 0.00 0.00 177.57 178.44 2jps h VAL 68 N 0.52 1.27 -0.15 2.57 2.07 -0.88 -2.60 116.25 119.04 2jps h VAL 68 Ca 0.01 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2jps h VAL 68 Cb 1.11 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2jps h VAL 68 CO 0.11 0.42 0.02 1.56 0.02 0.00 0.00 177.57 179.70 2jps h GLN 69 N 0.50 0.25 -0.03 1.57 1.08 0.10 -2.68 115.11 115.89 2jps h GLN 69 Ca 0.07 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2jps h GLN 69 Cb 0.69 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2jps h GLN 69 CO 0.05 0.43 -0.03 0.00 -0.95 0.00 0.00 178.83 178.33 2jps h THR 70 N 0.03 1.04 -0.48 -0.54 1.03 -1.37 -1.56 112.91 111.06 2jps h THR 70 Ca 0.04 -0.19 -0.05 0.00 -0.01 0.00 0.00 66.41 66.21 2jps h THR 70 Cb 0.30 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.42 2jps h THR 70 CO 0.00 0.06 0.12 0.00 -0.01 0.00 0.00 175.52 175.69 2jps h ALA 71 N 1.93 0.64 -0.01 0.00 0.00 -1.14 0.85 119.26 121.53 2jps h ALA 71 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 71 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jps h ALA 71 CO 0.00 0.32 0.00 0.74 0.00 0.00 0.00 179.25 180.32 2jps h PHE 72 N 0.66 0.01 -0.83 0.00 0.04 -1.09 0.50 116.94 116.23 2jps h PHE 72 Ca 0.15 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 2jps h PHE 72 Cb 0.32 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 2jps h PHE 72 CO 0.02 0.24 0.43 0.35 -0.60 0.00 0.00 178.31 178.76 2jps h PHE 73 N -0.23 1.17 -0.58 -0.55 3.57 -1.17 -1.53 116.94 117.61 2jps h PHE 73 Ca 0.00 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2jps h PHE 73 Cb 0.24 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2jps h PHE 73 CO 0.01 0.82 0.04 0.00 -2.23 0.00 0.00 178.31 176.95 2jps h ALA 74 N 1.23 0.78 -0.89 2.41 0.00 0.98 0.81 119.26 124.57 2jps h ALA 74 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jps h ALA 74 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2jps h ALA 74 CO -0.04 0.58 0.59 1.25 0.00 0.00 0.00 179.25 181.63 2jps h LEU 75 N 0.90 1.02 -0.20 0.00 6.46 0.56 0.35 115.31 124.39 2jps h LEU 75 Ca 0.17 -0.03 -0.19 0.00 -0.12 0.00 0.00 57.88 57.72 2jps h LEU 75 Cb 0.50 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2jps h LEU 75 CO 0.02 0.74 -0.61 -0.08 -0.62 0.00 0.00 178.44 177.89 2jps h GLU 76 N 1.21 0.77 -0.48 1.25 4.81 -1.04 -2.99 114.58 118.10 2jps h GLU 76 Ca 0.33 -0.56 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 2jps h GLU 76 Cb -0.14 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2jps h GLU 76 CO -0.07 1.18 0.06 0.00 -0.73 0.00 0.00 179.01 179.45 2jps h ALA 77 N 0.59 1.20 -0.80 2.92 0.00 -0.36 -2.67 119.26 120.14 2jps h ALA 77 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2jps h ALA 77 Cb 1.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2jps h ALA 77 CO 0.13 0.54 0.39 1.25 0.00 0.00 0.00 179.25 181.56 2jps h LEU 78 N 0.73 1.04 -1.42 0.00 5.85 -0.26 -2.33 115.31 118.91 2jps h LEU 78 Ca 0.15 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2jps h LEU 78 Cb 0.36 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jps h LEU 78 CO 0.01 0.87 0.43 1.56 -0.34 0.00 0.00 178.44 180.96 2jps h GLN 79 N 1.14 0.72 -0.26 1.25 4.20 -1.33 -2.42 115.11 118.42 2jps h GLN 79 Ca 0.28 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.76 2jps h GLN 79 Cb 0.10 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2jps h GLN 79 CO -0.04 0.48 -0.55 0.37 -0.67 0.00 0.00 178.83 178.42 2jps h GLN 80 N 0.75 0.83 0.00 1.46 5.75 -1.40 -3.48 115.11 119.01 2jps h GLN 80 Ca 0.26 -0.55 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2jps h GLN 80 Cb 0.11 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2jps h GLN 80 CO -0.07 1.17 0.00 0.41 -2.65 0.00 0.00 178.83 177.69 2jps n GLY 81 N 0.42 0.31 3.60 2.39 0.00 -0.91 -5.15 105.19 105.84 2jps n GLY 81 Ca -0.05 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 1.92 -0.07 1.61 0.41 -1.24 -5.01 118.70 116.32 2jps s GLU 82 Ca 0.00 -2.09 0.03 0.00 -0.41 0.00 0.00 54.97 52.50 2jps s GLU 82 Cb 0.00 -1.51 -0.02 0.00 -1.78 0.00 0.00 34.13 30.82 2jps s GLU 82 CO 0.00 -0.08 -0.15 -1.12 -0.49 0.00 0.00 175.26 173.42 2jps s SER 83 N -3.68 3.96 -0.21 -0.19 0.01 -1.26 -4.94 113.70 107.39 2jps s SER 83 Ca 0.34 -0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.48 2jps s SER 83 Cb 0.09 -0.99 -0.23 0.00 0.21 0.00 0.00 66.02 65.11 2jps s SER 83 CO 0.17 0.30 0.03 0.00 0.41 0.00 0.00 173.24 174.15 2jps n ALA 84 N 2.59 1.46 -0.25 1.44 0.00 -1.26 -4.42 120.51 120.08 2jps n ALA 84 Ca -0.17 -1.22 0.05 0.00 0.00 0.00 0.00 53.44 52.10 2jps n ALA 84 Cb 0.52 -0.21 0.29 0.00 0.00 0.00 0.00 19.45 20.05 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 0.89 -0.93 0.00 4.57 -1.95 -1.90 114.58 115.25 2jps h GLU 85 Ca -0.54 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.64 2jps h GLU 85 Cb 2.13 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 30.46 2jps h GLU 85 CO 0.00 0.59 0.61 -0.91 -1.18 0.00 0.00 179.01 178.11 2jps h ASN 86 N 0.91 0.97 -0.57 1.04 2.35 -2.02 -1.52 115.58 116.74 2jps h ASN 86 Ca 0.35 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 2jps h ASN 86 Cb 0.22 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2jps h ASN 86 CO -0.13 0.64 0.26 0.40 -1.65 0.00 0.00 177.43 176.95 2jps h ILE 87 N 1.11 1.21 -0.84 2.81 2.04 -1.57 -2.43 117.51 119.84 2jps h ILE 87 Ca 0.39 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2jps h ILE 87 Cb 0.11 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 2jps h ILE 87 CO -0.14 0.26 0.55 0.58 0.00 0.00 0.00 178.15 179.41 2jps h VAL 88 N 0.87 1.13 -0.86 1.67 2.07 -1.23 -1.73 116.25 118.17 2jps h VAL 88 Ca 0.21 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2jps h VAL 88 Cb 0.15 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2jps h VAL 88 CO -0.02 0.19 0.53 0.28 0.02 0.00 0.00 177.57 178.57 2jps h SER 89 N 1.04 0.83 0.10 0.57 0.02 -1.35 0.38 113.55 115.13 2jps h SER 89 Ca 0.33 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2jps h SER 89 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2jps h SER 89 CO -0.10 0.53 -0.45 0.50 -1.14 0.00 0.00 176.83 176.17 2jps h LYS 90 N 0.96 0.42 -0.26 3.45 3.64 -1.37 -2.56 116.57 120.86 2jps h LYS 90 Ca 0.37 -0.22 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 2jps h LYS 90 Cb 0.17 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jps h LYS 90 CO -0.17 0.79 -0.58 0.82 -2.27 0.00 0.00 179.45 178.03 2jps h ILE 91 N 0.34 1.28 -0.71 2.00 1.08 -0.46 -2.07 117.51 118.97 2jps h ILE 91 Ca 0.02 -1.77 -0.02 0.00 -0.39 0.00 0.00 64.86 62.71 2jps h ILE 91 Cb 0.92 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 2jps h ILE 91 CO 0.08 0.57 0.38 -0.09 -0.69 0.00 0.00 178.15 178.40 2jps h ARG 92 N 0.63 0.98 -0.24 2.37 2.43 -0.21 0.54 114.38 120.88 2jps h ARG 92 Ca 0.00 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 58.87 2jps h ARG 92 Cb 1.20 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2jps h ARG 92 CO 0.13 0.72 -0.62 1.98 -1.51 0.00 0.00 179.97 180.67 2jps h MET 93 N 0.98 0.82 -0.17 0.20 4.05 -1.38 0.61 114.93 120.04 2jps h MET 93 Ca 0.25 -0.56 -0.19 0.00 -0.28 0.00 0.00 59.70 58.91 2jps h MET 93 Cb 0.04 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2jps h MET 93 CO -0.04 1.19 -0.68 1.98 0.23 0.00 0.00 176.91 179.59 2jps h MET 94 N 0.61 0.66 -0.12 0.39 4.05 -0.93 -0.91 114.93 118.68 2jps h MET 94 Ca -0.01 -0.49 -0.18 0.00 -0.28 0.00 0.00 59.70 58.74 2jps h MET 94 Cb 1.23 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2jps h MET 94 CO 0.13 1.11 -0.68 -0.91 0.23 0.00 0.00 176.91 176.80 2jps h ASN 95 N 0.47 0.57 -0.05 1.39 2.35 0.08 -0.72 115.58 119.66 2jps h ASN 95 Ca -0.02 -0.35 -0.18 0.00 -0.55 0.00 0.00 56.30 55.20 2jps h ASN 95 Cb 1.27 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 2jps h ASN 95 CO 0.13 1.08 -0.61 0.00 -1.65 0.00 0.00 177.43 176.38 2jps h ALA 96 N 0.91 0.56 -0.26 -0.83 0.00 -0.84 -1.23 119.26 117.57 2jps h ALA 96 Ca -0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 2jps h ALA 96 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jps h ALA 96 CO 0.12 0.70 -0.58 1.96 0.00 0.00 0.00 179.25 181.45 2jps h GLN 97 N 0.49 0.84 -0.42 0.00 4.20 -1.13 0.83 115.11 119.93 2jps h GLN 97 Ca -0.01 -0.57 -0.08 0.00 0.06 0.00 0.00 58.65 58.05 2jps h GLN 97 Cb 1.19 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2jps h GLN 97 CO 0.12 1.19 -0.09 0.77 -0.67 0.00 0.00 178.83 180.16 2jps h SER 98 N 0.61 0.71 -0.49 1.46 0.02 -1.11 -3.13 113.55 111.63 2jps h SER 98 Ca 0.00 -0.20 -0.34 0.00 -0.84 0.00 0.00 61.79 60.41 2jps h SER 98 Cb 1.19 -0.19 -0.23 0.00 0.14 0.00 0.00 62.40 63.31 2jps h SER 98 CO 0.13 0.84 -0.40 -0.11 -1.14 0.00 0.00 176.83 176.14 2jps n LEU 99 N -4.18 4.45 -2.95 5.07 7.94 -0.47 -4.79 117.00 122.07 2jps n LEU 99 Ca 0.01 -4.27 -0.27 0.00 -1.11 0.00 0.00 56.01 50.38 2jps n LEU 99 Cb 0.34 -0.52 -0.04 0.00 0.53 0.00 0.00 43.42 43.73 2jps n LEU 99 CO 0.42 1.67 0.14 0.61 -1.11 0.00 0.00 177.39 179.13 2jps n GLY 100 N -0.93 5.59 3.09 -3.96 0.00 0.29 -4.90 105.19 104.37 2jps n GLY 100 Ca 0.37 -2.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 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 -3.46 2.29 -1.06 1.61 -0.44 -1.26 -4.80 119.66 112.53 2jps s GLN 101 Ca 0.49 -1.33 -0.14 0.00 -2.50 0.00 0.00 55.36 51.88 2jps s GLN 101 Cb 0.28 -2.95 -0.02 0.00 -1.64 0.00 0.00 33.01 28.67 2jps s GLN 101 CO -0.14 -0.58 0.81 0.43 0.50 0.00 0.00 175.29 176.31 2jps n SER 102 N 4.47 -5.90 -4.12 6.67 7.64 -1.26 -4.98 113.62 116.15 2jps n SER 102 Ca -0.14 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.57 2jps n SER 102 Cb 0.42 -3.94 -0.15 0.00 -1.01 0.00 0.00 64.21 59.53 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jps s ASP 103 N -3.37 4.07 0.11 6.43 1.01 -1.26 -4.97 116.67 118.68 2jps s ASP 103 Ca 0.40 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.59 2jps s ASP 103 Cb -0.12 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.25 2jps s ASP 103 CO 0.82 -0.13 0.00 -0.38 0.21 0.00 0.00 175.17 175.69 2jps n ILE 104 N 4.54 0.97 -1.05 0.77 -0.00 -1.26 -5.16 119.36 118.17 2jps n ILE 104 Ca -0.16 0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 2jps n ILE 104 Cb 0.45 -1.46 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55