#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 1.00 -3.26 7.83 7.64 -1.26 -5.08 113.62 120.50 2jps n SER 2 Ca 0.00 0.14 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2jps n SER 2 Cb 0.00 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 62.87 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jps n GLN 3 N -3.54 -1.67 -0.08 1.43 1.13 -1.26 -4.96 117.38 108.43 2jps n GLN 3 Ca -0.05 1.43 -0.18 0.00 -1.94 0.00 0.00 57.00 56.26 2jps n GLN 3 Cb 0.23 -4.42 -0.13 0.00 0.11 0.00 0.00 30.24 26.03 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jps n GLU 4 N -1.49 0.69 -0.28 -1.09 0.00 -1.26 -3.51 120.64 113.70 2jps n GLU 4 Ca -0.07 0.18 0.12 0.00 0.00 0.00 0.00 57.16 57.39 2jps n GLU 4 Cb 0.56 -1.59 0.37 0.00 0.00 0.00 0.00 31.44 30.78 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2jps h GLN 5 N 0.02 0.69 -0.02 5.31 3.07 -1.99 0.69 115.11 122.89 2jps h GLN 5 Ca -0.52 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 57.96 2jps h GLN 5 Cb 1.97 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 29.38 2jps h GLN 5 CO -0.02 0.46 -0.91 1.88 0.09 0.00 0.00 178.83 180.33 2jps h TYR 6 N 0.72 0.65 -0.50 0.06 -1.99 -1.97 -1.79 116.97 112.14 2jps h TYR 6 Ca 0.45 -0.34 -0.12 0.00 2.00 0.00 0.00 58.73 60.72 2jps h TYR 6 Cb 0.70 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 2jps h TYR 6 CO -0.00 1.15 -0.15 1.15 -0.00 0.00 0.00 178.16 180.31 2jps h THR 7 N 0.26 1.27 -0.30 -2.88 2.02 -0.85 0.88 112.91 113.31 2jps h THR 7 Ca -0.08 -1.31 -0.17 0.00 0.77 0.00 0.00 66.41 65.63 2jps h THR 7 Cb 1.54 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2jps h THR 7 CO 0.16 0.45 -0.47 -0.08 0.37 0.00 0.00 175.52 175.96 2jps h GLU 8 N 0.84 0.85 -0.08 6.66 4.81 0.23 0.14 114.58 128.03 2jps h GLU 8 Ca 0.12 -0.51 -0.22 0.00 -0.13 0.00 0.00 59.36 58.62 2jps h GLU 8 Cb 0.72 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.16 2jps h GLU 8 CO 0.06 1.15 -0.84 -0.91 -0.73 0.00 0.00 179.01 177.73 2jps h ASN 9 N 0.63 0.74 -0.31 1.04 4.21 -1.24 -3.12 115.58 117.52 2jps h ASN 9 Ca 0.03 -0.52 -0.13 0.00 1.21 0.00 0.00 56.30 56.89 2jps h ASN 9 Cb 1.07 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2jps h ASN 9 CO 0.11 1.31 -0.26 0.25 -1.29 0.00 0.00 177.43 177.54 2jps h LEU 10 N 0.39 0.84 -1.76 1.61 5.85 0.84 -2.75 115.31 120.34 2jps h LEU 10 Ca -0.06 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2jps h LEU 10 Cb 1.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2jps h LEU 10 CO 0.16 1.05 0.26 0.50 -0.34 0.00 0.00 178.44 180.07 2jps h LYS 11 N 0.70 0.30 -0.06 1.25 3.64 -0.71 0.26 116.57 121.96 2jps h LYS 11 Ca 0.09 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2jps h LYS 11 Cb 0.79 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2jps h LYS 11 CO 0.07 0.20 -0.27 0.28 -2.27 0.00 0.00 179.45 177.45 2jps h VAL 12 N 0.31 1.44 -0.44 2.00 2.07 -1.44 -2.49 116.25 117.71 2jps h VAL 12 Ca 0.16 -1.70 -0.08 0.00 0.82 0.00 0.00 66.70 65.90 2jps h VAL 12 Cb 0.26 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2jps h VAL 12 CO -0.03 0.48 -0.04 0.40 0.02 0.00 0.00 177.57 178.40 2jps h ILE 13 N -0.24 1.24 -0.84 4.57 2.04 -1.20 -2.15 117.51 120.93 2jps h ILE 13 Ca -0.02 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 2jps h ILE 13 Cb 0.92 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2jps h ILE 13 CO 0.06 0.36 0.41 0.58 0.00 0.00 0.00 178.15 179.55 2jps h VAL 14 N 0.69 1.26 -0.10 1.67 2.07 -0.51 -2.24 116.25 119.09 2jps h VAL 14 Ca 0.13 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2jps h VAL 14 Cb 0.48 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2jps h VAL 14 CO 0.02 0.31 -0.37 0.00 0.02 0.00 0.00 177.57 177.56 2jps h ALA 15 N 1.22 1.19 -0.86 1.67 0.00 -1.07 -2.77 119.26 118.63 2jps h ALA 15 Ca 0.29 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2jps h ALA 15 Cb 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2jps h ALA 15 CO -0.04 0.55 0.56 1.49 0.00 0.00 0.00 179.25 181.81 2jps h GLU 16 N 0.19 0.52 0.01 0.00 4.81 -0.76 0.54 114.58 119.89 2jps h GLU 16 Ca 0.02 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2jps h GLU 16 Cb 0.74 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2jps h GLU 16 CO 0.06 0.34 -0.73 -0.22 -0.73 0.00 0.00 179.01 177.73 2jps h LYS 17 N 0.54 0.03 -0.51 1.92 3.11 -1.54 -3.21 116.57 116.89 2jps h LYS 17 Ca 0.44 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 58.26 2jps h LYS 17 Cb 0.90 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.11 2jps h LYS 17 CO -0.18 1.02 0.31 -0.07 -2.81 0.00 0.00 179.45 177.72 2jps h LEU 18 N -0.93 0.50 -2.55 5.20 3.38 -1.21 -0.46 115.31 119.24 2jps h LEU 18 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jps h LEU 18 Cb 1.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2jps h LEU 18 CO -0.09 0.36 -0.02 0.00 0.09 0.00 0.00 178.44 178.78 2jps h ALA 19 N 1.23 1.29 -0.57 1.53 0.00 -0.08 -2.09 119.26 120.56 2jps h ALA 19 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jps h ALA 19 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jps h ALA 19 CO -0.09 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2jps n GLY 20 N -1.10 2.89 3.83 0.00 0.00 -0.23 -4.96 105.19 105.61 2jps n GLY 20 Ca -0.03 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2jps n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jps s ILE 21 N -1.75 4.73 0.52 -0.61 1.01 -0.79 -5.05 121.20 119.26 2jps s ILE 21 Ca 0.46 1.08 -0.20 0.00 0.00 0.00 0.00 60.65 61.98 2jps s ILE 21 Cb 0.29 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2jps s ILE 21 CO 0.22 0.31 1.14 -2.16 0.00 0.00 0.00 174.94 174.46 2jps s PRO 22 N -1.74 3.45 -1.45 2.79 0.04 -1.26 -2.94 135.00 133.90 2jps s PRO 22 Ca 0.37 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2jps s PRO 22 Cb -0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2jps s PRO 22 CO 0.20 -0.78 0.00 -1.71 0.04 0.00 0.00 177.00 174.75 2jps n ASN 23 N -1.10 -4.61 -3.03 6.66 2.85 -1.26 -4.88 115.26 109.90 2jps n ASN 23 Ca 0.11 0.18 -0.31 0.00 -0.11 0.00 0.00 54.58 54.45 2jps n ASN 23 Cb 0.50 -3.95 -0.01 0.00 1.24 0.00 0.00 39.78 37.56 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2jps n PHE 24 N -3.24 3.60 -1.46 1.20 7.35 -1.15 -4.81 117.46 118.96 2jps n PHE 24 Ca -0.18 -3.43 -0.30 0.00 -0.76 0.00 0.00 57.45 52.79 2jps n PHE 24 Cb 0.61 -0.63 0.09 0.00 0.35 0.00 0.00 39.48 39.90 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2jps n ASN 25 N -0.26 6.36 -3.70 -2.13 3.02 -1.26 -4.83 115.26 112.46 2jps n ASN 25 Ca 0.37 -3.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.05 2jps n ASN 25 Cb 0.39 -0.82 -0.12 0.00 -0.61 0.00 0.00 39.78 38.62 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jps s GLU 26 N -3.68 0.30 -1.10 3.52 8.01 -1.26 -4.95 118.70 119.53 2jps s GLU 26 Ca 0.60 0.73 -0.17 0.00 0.01 0.00 0.00 54.97 56.14 2jps s GLU 26 Cb 0.48 -0.02 -0.02 0.00 -4.31 0.00 0.00 34.13 30.26 2jps s GLU 26 CO 0.01 -0.18 0.82 -0.25 0.01 0.00 0.00 175.26 175.68 2jps n ASP 27 N 4.48 -5.71 -0.11 -0.19 9.92 -1.26 -4.93 116.55 118.75 2jps n ASP 27 Ca -0.21 -0.93 -0.12 0.00 -0.53 0.00 0.00 54.79 53.01 2jps n ASP 27 Cb 0.53 -3.84 -0.15 0.00 -0.64 0.00 0.00 41.12 37.03 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 -3.89 1.42 0.06 0.53 0.00 -1.26 -3.48 119.36 112.74 2jps n ILE 28 Ca -0.09 -0.78 -0.18 0.00 0.00 0.00 0.00 62.75 61.71 2jps n ILE 28 Cb 0.60 -0.73 -0.14 0.00 0.00 0.00 0.00 39.64 39.36 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 0.26 0.00 9.51 1.57 -1.98 -3.21 116.57 122.73 2jps h LYS 29 Ca -0.55 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 57.66 2jps h LYS 29 Cb 2.15 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.61 2jps h LYS 29 CO 0.00 1.13 -0.58 1.88 -0.57 0.00 0.00 179.45 181.31 2jps h TYR 30 N 0.07 0.00 -0.23 -1.35 0.05 -1.98 -3.13 116.97 110.40 2jps h TYR 30 Ca -0.27 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.34 2jps h TYR 30 Cb 2.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.77 2jps h TYR 30 CO 0.07 0.58 -0.54 -0.24 -1.05 0.00 0.00 178.16 176.97 2jps h VAL 31 N 0.00 1.30 -0.64 -2.88 3.04 -1.66 -3.05 116.25 112.36 2jps h VAL 31 Ca -0.01 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 63.89 2jps h VAL 31 Cb 1.07 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 32.03 2jps h VAL 31 CO 0.07 0.56 0.30 0.00 -1.01 0.00 0.00 177.57 177.50 2jps h ALA 32 N 0.87 1.33 -0.31 3.17 0.00 -1.54 -1.78 119.26 120.99 2jps h ALA 32 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jps h ALA 32 Cb 1.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 32 CO 0.11 0.52 0.16 0.93 0.00 0.00 0.00 179.25 180.97 2jps h GLU 33 N 0.90 0.32 -0.78 0.00 5.08 -1.49 0.43 114.58 119.05 2jps h GLU 33 Ca 0.22 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2jps h GLU 33 Cb 0.10 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2jps h GLU 33 CO -0.03 0.21 0.34 -0.92 -1.00 0.00 0.00 179.01 177.62 2jps h TYR 34 N 0.33 1.14 -0.44 4.33 3.20 -1.44 -0.55 116.97 123.54 2jps h TYR 34 Ca 0.13 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2jps h TYR 34 Cb 0.04 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 2jps h TYR 34 CO -0.09 0.85 0.28 0.82 -1.64 0.00 0.00 178.16 178.37 2jps h ILE 35 N 1.12 1.13 -0.74 1.81 2.04 -0.49 0.40 117.51 122.78 2jps h ILE 35 Ca 0.26 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2jps h ILE 35 Cb 0.16 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2jps h ILE 35 CO -0.03 0.13 0.33 0.58 0.00 0.00 0.00 178.15 179.16 2jps h VAL 36 N 0.59 1.24 -0.97 1.67 2.07 -0.48 -0.05 116.25 120.33 2jps h VAL 36 Ca 0.16 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2jps h VAL 36 Cb -0.03 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2jps h VAL 36 CO -0.03 0.30 0.63 0.25 0.02 0.00 0.00 177.57 178.73 2jps h LEU 37 N 1.05 1.13 -0.68 2.57 5.85 -0.43 0.92 115.31 125.71 2jps h LEU 37 Ca 0.25 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2jps h LEU 37 Cb 0.16 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jps h LEU 37 CO -0.03 0.83 0.12 -0.07 -0.34 0.00 0.00 178.44 178.96 2jps h LEU 38 N 1.32 1.07 -0.03 2.25 3.38 -0.26 0.13 115.31 123.17 2jps h LEU 38 Ca 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jps h LEU 38 Cb -0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 2jps h LEU 38 CO -0.07 1.05 -0.01 0.40 0.09 0.00 0.00 178.44 179.90 2jps h ILE 39 N 1.04 1.31 0.00 1.22 1.08 0.25 0.04 117.51 122.45 2jps h ILE 39 Ca 0.21 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2jps h ILE 39 Cb 0.43 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2jps h ILE 39 CO 0.01 0.25 0.00 1.62 -0.69 0.00 0.00 178.15 179.34 2jps h VAL 40 N -0.32 0.00 0.00 1.67 3.04 0.94 -3.08 116.25 118.50 2jps h VAL 40 Ca 0.01 -0.36 -0.29 0.00 -1.01 0.00 0.00 66.70 65.05 2jps h VAL 40 Cb 0.41 1.30 -0.05 0.00 -2.01 0.00 0.00 31.29 30.94 2jps h VAL 40 CO 0.00 0.00 -1.98 0.59 -1.01 0.00 0.00 177.57 175.17 2jps n ASN 41 N -2.93 0.44 0.06 3.17 3.02 0.45 -4.94 115.26 114.54 2jps n ASN 41 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2jps n ASN 41 Cb 0.24 0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 2jps n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jps n GLY 42 N 1.60 -0.65 0.41 7.41 0.00 -0.04 -5.07 105.19 108.84 2jps n GLY 42 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.74 0.75 2.94 -0.02 0.00 -0.95 -4.95 105.19 103.70 2jps n GLY 43 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 1.51 0.42 2.61 -4.23 -1.26 -5.01 115.64 107.68 2jps s THR 44 Ca 0.00 -1.16 0.21 0.00 -1.18 0.00 0.00 61.69 59.56 2jps s THR 44 Cb 0.00 -1.75 0.41 0.00 1.34 0.00 0.00 72.50 72.50 2jps s THR 44 CO 0.00 -0.06 1.77 0.58 -0.54 0.00 0.00 174.62 176.38 2jps h VAL 45 N 6.62 0.51 0.22 2.29 2.07 -1.96 0.95 116.25 126.95 2jps h VAL 45 Ca -0.19 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2jps h VAL 45 Cb 1.08 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2jps h VAL 45 CO 0.42 0.06 -0.11 -0.08 0.02 0.00 0.00 177.57 177.89 2jps h GLU 46 N 0.34 -0.28 -0.12 1.57 4.81 -1.98 0.74 114.58 119.66 2jps h GLU 46 Ca 0.59 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.70 2jps h GLU 46 Cb 1.60 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 2jps h GLU 46 CO -0.26 0.03 -0.52 1.03 -0.73 0.00 0.00 179.01 178.56 2jps h SER 47 N -0.62 0.36 0.26 1.04 0.87 -1.69 -0.58 113.55 113.19 2jps h SER 47 Ca -0.03 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.16 2jps h SER 47 Cb 0.45 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jps h SER 47 CO 0.05 0.82 -0.72 0.58 -0.53 0.00 0.00 176.83 177.03 2jps h VAL 48 N 0.26 1.38 -0.01 2.23 2.07 0.95 -0.63 116.25 122.50 2jps h VAL 48 Ca 0.01 -2.13 -0.25 0.00 0.82 0.00 0.00 66.70 65.15 2jps h VAL 48 Cb 1.00 2.10 0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2jps h VAL 48 CO 0.09 0.64 -1.00 0.58 0.02 0.00 0.00 177.57 177.90 2jps h VAL 49 N 0.27 1.32 -0.46 2.57 2.07 0.60 -2.18 116.25 120.44 2jps h VAL 49 Ca -0.03 -2.30 -0.12 0.00 0.82 0.00 0.00 66.70 65.07 2jps h VAL 49 Cb 1.29 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 2jps h VAL 49 CO 0.12 0.70 -0.19 -0.78 0.02 0.00 0.00 177.57 177.45 2jps h ASP 50 N 0.35 0.93 -0.46 0.57 3.58 -1.09 0.24 116.42 120.53 2jps h ASP 50 Ca -0.11 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 56.92 2jps h ASP 50 Cb 1.64 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 2jps h ASP 50 CO 0.19 1.09 -0.06 -0.33 -2.88 0.00 0.00 179.24 177.25 2jps h GLU 51 N 0.80 0.86 -0.15 0.28 3.07 -1.12 0.30 114.58 118.62 2jps h GLU 51 Ca 0.11 -0.31 -0.18 0.00 -0.50 0.00 0.00 59.36 58.49 2jps h GLU 51 Cb 0.74 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2jps h GLU 51 CO 0.06 0.94 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.88 2jps h LEU 52 N 0.71 0.65 -0.75 1.33 3.38 -1.28 -3.09 115.31 116.26 2jps h LEU 52 Ca 0.12 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2jps h LEU 52 Cb 0.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2jps h LEU 52 CO 0.04 1.13 -0.11 0.00 0.09 0.00 0.00 178.44 179.59 2jps h ALA 53 N 0.86 0.94 -0.62 1.53 0.00 -0.36 0.97 119.26 122.59 2jps h ALA 53 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jps h ALA 53 Cb 1.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jps h ALA 53 CO 0.12 0.62 0.41 0.66 0.00 0.00 0.00 179.25 181.06 2jps h SER 54 N 0.75 0.69 0.07 0.00 4.64 -0.86 -2.12 113.55 116.72 2jps h SER 54 Ca 0.12 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 61.06 2jps h SER 54 Cb 0.61 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 2jps h SER 54 CO 0.04 0.49 -2.11 0.18 -0.87 0.00 0.00 176.83 174.56 2jps n LEU 55 N -4.45 2.64 -3.88 5.97 4.32 -1.05 -4.59 117.00 115.95 2jps n LEU 55 Ca 0.07 0.13 -0.35 0.00 -0.02 0.00 0.00 56.01 55.83 2jps n LEU 55 Cb 0.07 -1.03 -0.05 0.00 -1.62 0.00 0.00 43.42 40.79 2jps n LEU 55 CO 0.36 0.82 0.47 0.49 -1.22 0.00 0.00 177.39 178.31 2jps n PHE 56 N -3.54 3.56 -1.23 -1.77 3.72 0.33 -4.85 117.46 113.68 2jps n PHE 56 Ca -0.37 -3.74 -0.17 0.00 -0.05 0.00 0.00 57.45 53.11 2jps n PHE 56 Cb 0.99 -1.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.62 3.74 -0.09 4.37 2.03 -0.80 -4.36 116.55 123.06 2jps n ASP 57 Ca 0.25 -3.56 -0.18 0.00 0.52 0.00 0.00 54.79 51.82 2jps n ASP 57 Cb 0.37 -0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 39.85 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jps n SER 58 N -0.96 1.86 -4.88 1.67 2.88 -1.26 -4.96 113.62 107.97 2jps n SER 58 Ca 0.52 -0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 2jps n SER 58 Cb 1.52 -0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 64.53 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jps s VAL 59 N -2.53 4.80 0.25 2.46 0.11 -1.26 -5.00 120.40 119.23 2jps s VAL 59 Ca -0.29 0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 2jps s VAL 59 Cb 0.08 -3.80 -0.14 0.00 -1.53 0.00 0.00 36.38 30.99 2jps s VAL 59 CO 0.67 -0.75 1.17 -1.20 -3.33 0.00 0.00 175.10 171.66 2jps n SER 60 N -1.89 1.76 -0.27 3.54 7.64 -1.26 -4.83 113.62 118.30 2jps n SER 60 Ca 0.03 1.16 0.18 0.00 1.01 0.00 0.00 58.87 61.25 2jps n SER 60 Cb 0.54 -1.31 0.48 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.96 0.46 -0.88 1.43 2.47 -1.95 -0.08 114.38 118.79 2jps h ARG 61 Ca -0.42 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.31 2jps h ARG 61 Cb 1.32 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 29.49 2jps h ARG 61 CO 0.67 0.31 0.58 0.22 0.56 0.00 0.00 179.97 182.31 2jps h ASP 62 N 0.48 0.94 -0.57 7.04 3.58 -1.99 -1.04 116.42 124.85 2jps h ASP 62 Ca 0.50 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.91 2jps h ASP 62 Cb 1.15 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2jps h ASP 62 CO -0.22 0.63 0.21 0.74 -2.88 0.00 0.00 179.24 177.72 2jps h THR 63 N 1.08 1.23 -0.28 2.25 2.02 -1.34 -0.75 112.91 117.12 2jps h THR 63 Ca 0.36 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2jps h THR 63 Cb 0.06 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2jps h THR 63 CO -0.11 0.28 0.04 -0.07 0.37 0.00 0.00 175.52 176.02 2jps h LEU 64 N 0.79 0.45 -1.30 2.58 4.07 -1.36 -2.74 115.31 117.80 2jps h LEU 64 Ca 0.19 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.91 2jps h LEU 64 Cb 0.23 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2jps h LEU 64 CO -0.01 0.61 0.49 0.00 -1.08 0.00 0.00 178.44 178.45 2jps h ALA 65 N 0.86 1.55 -0.68 1.53 0.00 -1.01 -1.78 119.26 119.73 2jps h ALA 65 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jps h ALA 65 Cb 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jps h ALA 65 CO 0.01 0.38 0.45 -0.91 0.00 0.00 0.00 179.25 179.18 2jps h ASN 66 N 0.92 0.72 -0.26 0.00 2.35 -0.83 -0.23 115.58 118.25 2jps h ASN 66 Ca 0.29 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.85 2jps h ASN 66 Cb 0.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2jps h ASN 66 CO -0.08 0.50 -0.52 0.58 -1.65 0.00 0.00 177.43 176.26 2jps h VAL 67 N 0.84 1.29 -0.69 2.81 2.07 -1.22 -2.95 116.25 118.40 2jps h VAL 67 Ca 0.27 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 2jps h VAL 67 Cb 0.03 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2jps h VAL 67 CO -0.07 0.55 0.23 0.58 0.02 0.00 0.00 177.57 178.88 2jps h VAL 68 N 0.56 1.25 -0.73 2.57 2.07 -1.13 -2.24 116.25 118.60 2jps h VAL 68 Ca 0.01 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.74 2jps h VAL 68 Cb 1.13 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2jps h VAL 68 CO 0.12 0.33 0.48 -0.61 0.02 0.00 0.00 177.57 177.91 2jps h GLN 69 N 1.02 0.75 -0.20 1.57 5.75 -0.95 -0.26 115.11 122.79 2jps h GLN 69 Ca 0.23 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2jps h GLN 69 Cb 0.27 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2jps h GLN 69 CO -0.01 0.49 -0.02 1.79 -2.65 0.00 0.00 178.83 178.43 2jps h THR 70 N 0.77 1.27 -0.98 2.39 1.35 -1.24 -0.96 112.91 115.50 2jps h THR 70 Ca 0.31 -0.95 0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2jps h THR 70 Cb 0.25 1.50 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 2jps h THR 70 CO -0.10 0.29 0.65 0.00 -0.25 0.00 0.00 175.52 176.10 2jps h ALA 71 N 0.76 1.27 -0.09 6.62 0.00 -1.00 0.76 119.26 127.58 2jps h ALA 71 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jps h ALA 71 Cb 0.44 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jps h ALA 71 CO 0.01 0.60 0.03 0.74 0.00 0.00 0.00 179.25 180.63 2jps h PHE 72 N 1.30 0.14 -0.74 0.00 -1.00 -0.88 -0.59 116.94 115.18 2jps h PHE 72 Ca 0.37 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.10 2jps h PHE 72 Cb -0.10 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 2jps h PHE 72 CO -0.00 0.28 0.31 0.35 -1.61 0.00 0.00 178.31 177.64 2jps h PHE 73 N -0.04 1.09 -0.90 -0.55 3.57 -0.63 -2.46 116.94 117.03 2jps h PHE 73 Ca 0.03 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jps h PHE 73 Cb 0.21 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2jps h PHE 73 CO -0.01 0.82 0.54 0.00 -2.23 0.00 0.00 178.31 177.44 2jps h ALA 74 N 1.27 1.14 -0.94 2.41 0.00 0.91 -1.28 119.26 122.77 2jps h ALA 74 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jps h ALA 74 Cb 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2jps h ALA 74 CO -0.02 0.60 0.61 -0.07 0.00 0.00 0.00 179.25 180.36 2jps h LEU 75 N 1.23 1.00 -0.33 0.00 3.38 -0.63 0.62 115.31 120.59 2jps h LEU 75 Ca 0.32 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 2jps h LEU 75 Cb -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2jps h LEU 75 CO -0.06 0.68 -0.36 -0.33 0.09 0.00 0.00 178.44 178.46 2jps h GLU 76 N 1.16 0.82 -0.49 1.13 4.39 -1.29 -1.77 114.58 118.53 2jps h GLU 76 Ca 0.38 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2jps h GLU 76 Cb 0.04 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2jps h GLU 76 CO -0.13 1.08 -0.17 0.00 -1.16 0.00 0.00 179.01 178.62 2jps h ALA 77 N 0.73 0.76 -0.74 3.43 0.00 -0.59 -2.93 119.26 119.92 2jps h ALA 77 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2jps h ALA 77 Cb 0.95 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 77 CO 0.09 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.22 2jps h LEU 78 N 0.85 1.04 -2.00 0.00 3.38 0.30 -0.86 115.31 118.01 2jps h LEU 78 Ca 0.12 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jps h LEU 78 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2jps h LEU 78 CO 0.06 0.94 0.12 1.56 0.09 0.00 0.00 178.44 181.20 2jps h GLN 79 N 1.07 0.00 0.15 1.13 4.20 -1.14 -2.77 115.11 117.76 2jps h GLN 79 Ca 0.25 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.60 2jps h GLN 79 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jps h GLN 79 CO -0.02 0.00 -1.88 1.96 -0.67 0.00 0.00 178.83 178.22 2jps h GLN 80 N 0.00 0.32 0.00 1.46 4.20 -1.30 -3.50 115.11 116.29 2jps h GLN 80 Ca 0.08 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2jps h GLN 80 Cb 0.31 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2jps h GLN 80 CO -0.00 1.25 0.00 0.41 -0.67 0.00 0.00 178.83 179.82 2jps n GLY 81 N 1.93 0.58 3.67 3.46 0.00 -0.38 -5.14 105.19 109.31 2jps n GLY 81 Ca -0.28 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 2jps n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jps s GLU 82 N 0.00 2.06 -0.06 1.61 -1.05 -1.19 -4.98 118.70 115.09 2jps s GLU 82 Ca 0.00 -2.26 0.04 0.00 -0.15 0.00 0.00 54.97 52.60 2jps s GLU 82 Cb 0.00 -1.41 -0.02 0.00 -0.44 0.00 0.00 34.13 32.27 2jps s GLU 82 CO 0.00 -0.27 -0.19 -1.12 0.95 0.00 0.00 175.26 174.62 2jps s SER 83 N -3.77 3.56 -0.20 0.83 0.01 -1.26 -4.94 113.70 107.93 2jps s SER 83 Ca 0.18 -0.37 0.13 0.00 1.31 0.00 0.00 55.95 57.21 2jps s SER 83 Cb 0.05 -0.92 -0.23 0.00 0.21 0.00 0.00 66.02 65.13 2jps s SER 83 CO 0.09 0.28 0.06 0.00 0.41 0.00 0.00 173.24 174.08 2jps n ALA 84 N 2.76 1.47 -0.35 1.44 0.00 -1.26 -4.41 120.51 120.16 2jps n ALA 84 Ca -0.17 -1.21 0.03 0.00 0.00 0.00 0.00 53.44 52.08 2jps n ALA 84 Cb 0.52 -0.23 0.19 0.00 0.00 0.00 0.00 19.45 19.93 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 1.11 -0.76 0.00 4.57 -1.95 -1.57 114.58 115.98 2jps h GLU 85 Ca -0.53 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2jps h GLU 85 Cb 2.14 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 30.43 2jps h GLU 85 CO 0.01 0.74 0.50 -0.91 -1.18 0.00 0.00 179.01 178.16 2jps h ASN 86 N 1.15 0.73 -0.51 1.04 2.35 -2.02 -1.36 115.58 116.95 2jps h ASN 86 Ca 0.42 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 2jps h ASN 86 Cb 0.16 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2jps h ASN 86 CO -0.16 0.47 0.13 0.40 -1.65 0.00 0.00 177.43 176.62 2jps h ILE 87 N 0.83 1.23 -0.76 2.81 1.08 -1.50 -2.59 117.51 118.61 2jps h ILE 87 Ca 0.33 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2jps h ILE 87 Cb 0.22 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2jps h ILE 87 CO -0.11 0.32 0.50 0.58 -0.69 0.00 0.00 178.15 178.75 2jps h VAL 88 N 0.84 1.16 -0.85 1.67 2.07 -1.16 -1.88 116.25 118.10 2jps h VAL 88 Ca 0.18 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2jps h VAL 88 Cb 0.32 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2jps h VAL 88 CO 0.00 0.18 0.51 -1.28 0.02 0.00 0.00 177.57 177.00 2jps h SER 89 N 0.99 0.77 0.06 0.57 0.87 -1.36 0.52 113.55 115.97 2jps h SER 89 Ca 0.29 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.75 2jps h SER 89 Cb -0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2jps h SER 89 CO -0.07 0.47 -0.44 0.50 -0.53 0.00 0.00 176.83 176.75 2jps h LYS 90 N 0.89 0.47 -0.22 2.24 3.64 -1.40 -1.81 116.57 120.37 2jps h LYS 90 Ca 0.39 -0.25 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 2jps h LYS 90 Cb 0.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jps h LYS 90 CO -0.21 0.82 -0.63 0.82 -2.27 0.00 0.00 179.45 177.98 2jps h ILE 91 N 0.38 1.28 -0.44 2.00 1.08 -0.50 -1.68 117.51 119.64 2jps h ILE 91 Ca 0.03 -1.84 -0.10 0.00 -0.39 0.00 0.00 64.86 62.56 2jps h ILE 91 Cb 0.93 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 36.44 2jps h ILE 91 CO 0.08 0.59 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.90 2jps h ARG 92 N 0.58 0.81 -0.30 2.37 2.43 0.07 0.29 114.38 120.63 2jps h ARG 92 Ca -0.01 -0.29 -0.18 0.00 -0.81 0.00 0.00 59.98 58.69 2jps h ARG 92 Cb 1.24 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2jps h ARG 92 CO 0.13 0.91 -0.52 0.52 -1.51 0.00 0.00 179.97 179.50 2jps h MET 93 N 0.73 0.86 -0.19 0.20 2.86 -1.29 0.33 114.93 118.43 2jps h MET 93 Ca 0.12 -0.53 -0.21 0.00 -2.06 0.00 0.00 59.70 57.02 2jps h MET 93 Cb 0.64 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.36 2jps h MET 93 CO 0.04 1.16 -0.71 0.52 1.06 0.00 0.00 176.91 178.98 2jps h MET 94 N 0.67 0.79 -0.13 1.72 2.86 -1.15 -1.36 114.93 118.32 2jps h MET 94 Ca 0.02 -0.60 -0.19 0.00 -2.06 0.00 0.00 59.70 56.88 2jps h MET 94 Cb 1.12 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 2jps h MET 94 CO 0.12 1.22 -0.68 -0.91 1.06 0.00 0.00 176.91 177.71 2jps h ASN 95 N 0.56 0.63 -0.29 1.22 2.35 -0.41 -3.02 115.58 116.62 2jps h ASN 95 Ca -0.03 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 2jps h ASN 95 Cb 1.33 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2jps h ASN 95 CO 0.15 1.13 -0.23 0.00 -1.65 0.00 0.00 177.43 176.83 2jps h ALA 96 N 0.86 0.86 -0.78 -0.83 0.00 -0.31 -2.91 119.26 116.16 2jps h ALA 96 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 96 Cb 1.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2jps h ALA 96 CO 0.13 0.63 0.47 1.96 0.00 0.00 0.00 179.25 182.44 2jps h GLN 97 N 0.68 1.05 -0.76 0.00 1.08 -1.19 0.86 115.11 116.83 2jps h GLN 97 Ca 0.09 -0.09 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2jps h GLN 97 Cb 0.75 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 2jps h GLN 97 CO 0.06 0.74 0.50 1.03 -0.95 0.00 0.00 178.83 180.21 2jps h SER 98 N 1.07 0.67 0.02 1.46 0.87 -1.38 -3.18 113.55 113.08 2jps h SER 98 Ca 0.28 0.01 -0.39 0.00 -1.23 0.00 0.00 61.79 60.46 2jps h SER 98 Cb -0.04 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.72 2jps h SER 98 CO -0.05 0.42 -2.39 -0.11 -0.53 0.00 0.00 176.83 174.17 2jps n LEU 99 N -4.49 2.78 -1.98 2.23 7.94 -0.83 -5.08 117.00 117.57 2jps n LEU 99 Ca 0.12 -0.01 -0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2jps n LEU 99 Cb 0.27 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.29 2jps n LEU 99 CO 0.33 0.87 -0.17 0.61 -1.11 0.00 0.00 177.39 177.91 2jps n GLY 100 N 2.07 -3.18 2.63 -3.96 0.00 0.29 -5.05 105.19 98.00 2jps n GLY 100 Ca -0.45 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.73 0.51 -1.07 1.61 0.74 -1.26 -4.92 119.66 114.54 2jps s GLN 101 Ca 0.01 -0.91 -0.15 0.00 0.05 0.00 0.00 55.36 54.36 2jps s GLN 101 Cb -0.00 -1.60 -0.02 0.00 1.10 0.00 0.00 33.01 32.48 2jps s GLN 101 CO 0.31 -1.03 0.81 0.43 -0.55 0.00 0.00 175.29 175.26 2jps n SER 102 N 4.89 -5.83 -3.60 6.67 7.64 -1.26 -4.99 113.62 117.14 2jps n SER 102 Ca -0.02 -0.87 -0.29 0.00 1.01 0.00 0.00 58.87 58.69 2jps n SER 102 Cb 0.41 -3.88 -0.14 0.00 -1.01 0.00 0.00 64.21 59.59 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jps s ASP 103 N -3.39 3.60 -0.58 6.43 -1.08 -1.26 -5.04 116.67 115.36 2jps s ASP 103 Ca 0.42 -1.68 0.06 0.00 -0.52 0.00 0.00 52.55 50.82 2jps s ASP 103 Cb -0.12 -0.58 0.23 0.00 -1.46 0.00 0.00 42.92 40.98 2jps s ASP 103 CO 0.83 -0.39 0.61 -0.38 0.52 0.00 0.00 175.17 176.36 2jps n ILE 104 N 4.75 1.23 -0.91 4.11 5.41 -1.26 -5.12 119.36 127.57 2jps n ILE 104 Ca -0.00 -4.73 0.00 0.00 1.00 0.00 0.00 62.75 59.02 2jps n ILE 104 Cb 0.40 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55