#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 1.01 -3.22 7.83 7.64 -1.26 -5.03 113.62 120.59 2jps n SER 2 Ca 0.00 -2.52 -0.13 0.00 1.01 0.00 0.00 58.87 57.23 2jps n SER 2 Cb 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.29 -1.76 -0.08 1.43 1.13 -1.26 -4.96 117.38 111.60 2jps n GLN 3 Ca 0.06 1.52 -0.19 0.00 -1.94 0.00 0.00 57.00 56.45 2jps n GLN 3 Cb 0.82 -4.48 -0.13 0.00 0.11 0.00 0.00 30.24 26.56 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 -1.29 0.69 -0.27 -1.09 2.13 -1.26 -3.50 120.64 116.06 2jps n GLU 4 Ca -0.04 0.19 0.10 0.00 0.66 0.00 0.00 57.16 58.06 2jps n GLU 4 Cb 0.56 -1.60 0.35 0.00 0.27 0.00 0.00 31.44 31.02 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2jps h GLN 5 N 0.03 0.73 -0.03 5.31 3.07 -1.99 0.54 115.11 122.77 2jps h GLN 5 Ca -0.51 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 57.96 2jps h GLN 5 Cb 1.97 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 29.37 2jps h GLN 5 CO -0.01 0.49 -0.89 1.88 0.09 0.00 0.00 178.83 180.38 2jps h TYR 6 N 0.76 0.65 -0.51 0.06 -1.99 -1.97 -2.41 116.97 111.55 2jps h TYR 6 Ca 0.43 -0.33 -0.13 0.00 2.00 0.00 0.00 58.73 60.70 2jps h TYR 6 Cb 0.59 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 2jps h TYR 6 CO -0.00 1.14 -0.17 1.15 -0.00 0.00 0.00 178.16 180.28 2jps h THR 7 N 0.27 1.27 -0.43 -2.88 2.02 -0.98 0.91 112.91 113.09 2jps h THR 7 Ca -0.07 -1.34 -0.14 0.00 0.77 0.00 0.00 66.41 65.63 2jps h THR 7 Cb 1.51 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2jps h THR 7 CO 0.16 0.47 -0.29 -0.33 0.37 0.00 0.00 175.52 175.90 2jps h GLU 8 N 0.89 0.95 0.11 6.66 4.39 -0.05 0.50 114.58 128.03 2jps h GLU 8 Ca 0.12 -0.44 -0.29 0.00 0.34 0.00 0.00 59.36 59.09 2jps h GLU 8 Cb 0.75 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 29.41 2jps h GLU 8 CO 0.06 1.10 -1.23 -0.91 -1.16 0.00 0.00 179.01 176.88 2jps h ASN 9 N 0.80 0.82 -0.11 1.42 4.21 -1.33 -3.16 115.58 118.22 2jps h ASN 9 Ca 0.09 -0.76 -0.11 0.00 1.21 0.00 0.00 56.30 56.73 2jps h ASN 9 Cb 0.87 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2jps h ASN 9 CO 0.08 1.56 -0.30 0.25 -1.29 0.00 0.00 177.43 177.74 2jps h LEU 10 N 0.26 0.60 -1.59 1.61 5.85 0.92 -2.64 115.31 120.32 2jps h LEU 10 Ca -0.18 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2jps h LEU 10 Cb 1.90 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2jps h LEU 10 CO 0.23 0.87 0.28 0.50 -0.34 0.00 0.00 178.44 179.98 2jps h LYS 11 N 0.50 0.55 -0.08 1.25 3.64 -0.01 0.32 116.57 122.74 2jps h LYS 11 Ca 0.06 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2jps h LYS 11 Cb 0.77 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jps h LYS 11 CO 0.06 0.37 -0.45 0.28 -2.27 0.00 0.00 179.45 177.44 2jps h VAL 12 N 0.57 1.39 -0.33 2.00 2.07 -1.45 -1.91 116.25 118.59 2jps h VAL 12 Ca 0.16 -1.82 -0.09 0.00 0.82 0.00 0.00 66.70 65.76 2jps h VAL 12 Cb -0.06 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2jps h VAL 12 CO -0.03 0.54 -0.18 0.40 0.02 0.00 0.00 177.57 178.32 2jps h ILE 13 N 0.00 1.25 -0.42 4.57 2.04 -1.10 -2.46 117.51 121.40 2jps h ILE 13 Ca -0.03 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2jps h ILE 13 Cb 1.11 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2jps h ILE 13 CO 0.09 0.39 -0.11 0.58 0.00 0.00 0.00 178.15 179.10 2jps h VAL 14 N 0.53 1.27 -0.45 1.67 2.07 -0.38 -2.79 116.25 118.17 2jps h VAL 14 Ca 0.09 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2jps h VAL 14 Cb 0.61 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2jps h VAL 14 CO 0.04 0.41 0.30 0.00 0.02 0.00 0.00 177.57 178.34 2jps h ALA 15 N 0.85 1.67 -0.88 1.67 0.00 -1.10 -1.99 119.26 119.49 2jps h ALA 15 Ca 0.11 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2jps h ALA 15 Cb 0.64 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2jps h ALA 15 CO 0.04 0.30 0.57 1.49 0.00 0.00 0.00 179.25 181.65 2jps h GLU 16 N 0.62 0.75 0.02 0.00 4.81 -1.15 0.85 114.58 120.47 2jps h GLU 16 Ca 0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2jps h GLU 16 Cb -0.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2jps h GLU 16 CO -0.04 0.49 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.41 2jps h LYS 17 N 0.77 0.04 0.18 1.92 1.63 -1.43 -1.93 116.57 117.75 2jps h LYS 17 Ca 0.43 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 2jps h LYS 17 Cb 0.57 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2jps h LYS 17 CO -0.19 1.03 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.68 2jps h LEU 18 N -0.91 -0.21 -1.95 5.20 3.38 -1.16 -0.25 115.31 119.41 2jps h LEU 18 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2jps h LEU 18 Cb 1.08 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jps h LEU 18 CO 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.49 2jps h ALA 19 N 0.38 1.83 -0.04 1.53 0.00 0.57 -2.21 119.26 121.33 2jps h ALA 19 Ca -0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 19 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jps h ALA 19 CO 0.04 0.07 -0.85 0.78 0.00 0.00 0.00 179.25 179.29 2jps h GLY 20 N 0.19 0.46 -4.46 0.00 0.00 -0.86 -3.45 103.07 94.96 2jps h GLY 20 Ca -0.00 -0.73 -0.53 0.00 0.00 0.00 0.00 47.33 46.07 2jps h GLY 20 CO 0.01 0.65 0.94 -0.42 0.00 0.00 0.00 176.54 177.72 2jps s ILE 21 N -3.42 2.06 0.11 2.60 1.01 -0.15 -4.90 121.20 118.50 2jps s ILE 21 Ca -0.06 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 2jps s ILE 21 Cb 0.09 -3.03 -0.14 0.00 0.01 0.00 0.00 42.46 39.39 2jps s ILE 21 CO 0.86 0.01 1.32 1.55 0.00 0.00 0.00 174.94 178.68 2jps h PRO 22 N 5.75 0.82 -0.88 2.79 0.13 -1.86 -3.20 132.00 135.55 2jps h PRO 22 Ca -0.45 -0.63 0.09 0.00 -0.87 0.00 0.00 66.00 64.14 2jps h PRO 22 Cb 1.21 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2jps h PRO 22 CO 0.87 1.24 0.57 -0.91 -0.23 0.00 0.00 178.00 179.54 2jps h ASN 23 N 0.57 0.80 -2.25 1.44 4.21 -1.94 -3.41 115.58 114.99 2jps h ASN 23 Ca -0.04 0.02 -0.57 0.00 1.21 0.00 0.00 56.30 56.92 2jps h ASN 23 Cb 1.35 -0.15 0.03 0.00 -1.12 0.00 0.00 38.32 38.43 2jps h ASN 23 CO 0.15 0.47 1.10 0.49 -1.29 0.00 0.00 177.43 178.35 2jps n PHE 24 N -4.52 2.44 0.00 1.19 3.01 -1.21 -4.86 117.46 113.51 2jps n PHE 24 Ca 0.15 -0.09 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 2jps n PHE 24 Cb 0.29 -2.70 -0.01 0.00 -0.01 0.00 0.00 39.48 37.05 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jps n ASN 25 N 6.19 1.05 -4.45 4.37 4.13 -1.26 -4.99 115.26 120.30 2jps n ASN 25 Ca 0.20 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.32 2jps n ASN 25 Cb 0.34 -0.36 -0.08 0.00 -1.54 0.00 0.00 39.78 38.14 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jps s GLU 26 N -2.18 2.08 -1.43 3.52 2.56 -1.26 -4.82 118.70 117.16 2jps s GLU 26 Ca -0.08 -2.30 -0.06 0.00 0.00 0.00 0.00 54.97 52.53 2jps s GLU 26 Cb 0.02 -1.09 0.04 0.00 2.00 0.00 0.00 34.13 35.09 2jps s GLU 26 CO 0.10 -0.42 0.77 -0.25 -0.56 0.00 0.00 175.26 174.90 2jps n ASP 27 N -1.30 -2.47 -0.10 -1.70 9.92 -1.26 -4.90 116.55 114.74 2jps n ASP 27 Ca -0.13 -0.84 -0.16 0.00 -0.53 0.00 0.00 54.79 53.12 2jps n ASP 27 Cb 0.66 -3.77 -0.13 0.00 -0.64 0.00 0.00 41.12 37.23 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jps n ILE 28 N -4.45 1.52 -0.07 0.53 0.00 -1.26 -3.72 119.36 111.91 2jps n ILE 28 Ca -0.16 -0.66 -0.13 0.00 0.00 0.00 0.00 62.75 61.80 2jps n ILE 28 Cb 0.61 -1.24 -0.06 0.00 0.00 0.00 0.00 39.64 38.96 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 0.01 0.55 -0.67 9.51 1.79 -1.99 -2.95 116.57 122.82 2jps h LYS 29 Ca -0.53 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 57.62 2jps h LYS 29 Cb 2.00 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 32.63 2jps h LYS 29 CO -0.03 0.89 0.33 1.88 -1.08 0.00 0.00 179.45 181.44 2jps h TYR 30 N 0.24 0.94 -0.93 -1.35 0.05 -1.98 -2.36 116.97 111.58 2jps h TYR 30 Ca 0.03 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.81 2jps h TYR 30 Cb 0.79 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 2jps h TYR 30 CO 0.08 0.68 0.61 0.28 -1.05 0.00 0.00 178.16 178.76 2jps h VAL 31 N 0.94 1.17 -0.44 -2.88 2.07 -1.61 -0.95 116.25 114.56 2jps h VAL 31 Ca 0.23 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 31 Cb 0.09 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2jps h VAL 31 CO -0.03 0.22 0.11 0.00 0.02 0.00 0.00 177.57 177.89 2jps h ALA 32 N 1.37 0.58 -0.64 1.67 0.00 -1.27 0.13 119.26 121.11 2jps h ALA 32 Ca 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jps h ALA 32 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2jps h ALA 32 CO -0.11 0.26 0.33 0.93 0.00 0.00 0.00 179.25 180.66 2jps h GLU 33 N 0.58 0.90 -0.49 0.00 5.08 -1.17 -0.06 114.58 119.43 2jps h GLU 33 Ca 0.14 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2jps h GLU 33 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jps h GLU 33 CO 0.00 0.70 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.66 2jps h TYR 34 N 0.87 1.02 -0.36 4.33 3.20 -0.97 -0.71 116.97 124.36 2jps h TYR 34 Ca 0.22 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2jps h TYR 34 Cb 0.08 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2jps h TYR 34 CO -0.00 0.98 0.19 0.82 -1.64 0.00 0.00 178.16 178.51 2jps h ILE 35 N 0.82 1.15 -0.65 1.81 2.04 -0.19 0.14 117.51 122.62 2jps h ILE 35 Ca 0.13 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2jps h ILE 35 Cb 0.67 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2jps h ILE 35 CO 0.05 0.16 0.23 0.58 0.00 0.00 0.00 178.15 179.16 2jps h VAL 36 N 0.45 1.25 -0.77 1.67 2.07 -0.85 0.33 116.25 120.40 2jps h VAL 36 Ca 0.13 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2jps h VAL 36 Cb 0.08 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2jps h VAL 36 CO -0.02 0.31 0.47 0.25 0.02 0.00 0.00 177.57 178.60 2jps h LEU 37 N 0.94 0.73 -0.48 2.57 5.85 -0.64 0.59 115.31 124.87 2jps h LEU 37 Ca 0.21 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2jps h LEU 37 Cb 0.26 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2jps h LEU 37 CO -0.01 0.48 0.13 -0.07 -0.34 0.00 0.00 178.44 178.62 2jps h LEU 38 N 0.87 0.72 -0.10 2.25 3.38 -0.40 0.15 115.31 122.17 2jps h LEU 38 Ca 0.33 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jps h LEU 38 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jps h LEU 38 CO -0.16 0.76 0.07 0.40 0.09 0.00 0.00 178.44 179.59 2jps h ILE 39 N 0.65 1.04 -0.62 1.22 1.08 0.41 -2.13 117.51 119.16 2jps h ILE 39 Ca 0.15 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2jps h ILE 39 Cb 0.31 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2jps h ILE 39 CO -0.00 0.04 0.29 0.58 -0.69 0.00 0.00 178.15 178.37 2jps h VAL 40 N 0.12 1.20 -0.81 1.67 2.07 0.34 -2.32 116.25 118.53 2jps h VAL 40 Ca 0.04 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2jps h VAL 40 Cb 0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2jps h VAL 40 CO -0.01 0.24 0.53 0.78 0.02 0.00 0.00 177.57 179.14 2jps h ASN 41 N 0.87 0.75 0.00 0.57 2.35 -0.06 -3.44 115.58 116.62 2jps h ASN 41 Ca 0.21 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2jps h ASN 41 Cb 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jps h ASN 41 CO -0.03 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 176.83 2jps n GLY 42 N -1.43 -1.63 0.00 2.83 0.00 -0.89 -5.08 105.19 99.00 2jps n GLY 42 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.34 0.70 2.96 -0.02 0.00 -1.10 -4.98 105.19 101.40 2jps n GLY 43 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.94 1.40 0.37 2.61 -4.23 -1.26 -5.01 115.64 108.58 2jps s THR 44 Ca 0.00 -0.76 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 2jps s THR 44 Cb 0.00 -1.48 0.35 0.00 1.34 0.00 0.00 72.50 72.72 2jps s THR 44 CO 0.00 0.22 1.81 0.58 -0.54 0.00 0.00 174.62 176.69 2jps h VAL 45 N 6.32 0.66 0.40 2.29 2.07 -1.96 0.84 116.25 126.86 2jps h VAL 45 Ca -0.28 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2jps h VAL 45 Cb 1.11 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jps h VAL 45 CO 0.45 0.10 -0.19 -0.08 0.02 0.00 0.00 177.57 177.87 2jps h GLU 46 N 0.54 -0.51 -0.25 1.57 4.81 -1.97 0.75 114.58 119.52 2jps h GLU 46 Ca 0.53 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.70 2jps h GLU 46 Cb 1.14 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2jps h GLU 46 CO -0.27 -0.21 -0.26 1.03 -0.73 0.00 0.00 179.01 178.57 2jps h SER 47 N -0.81 0.49 0.04 1.04 0.87 -1.82 0.19 113.55 113.54 2jps h SER 47 Ca -0.05 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.16 2jps h SER 47 Cb 0.54 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2jps h SER 47 CO 0.09 0.74 -0.62 0.58 -0.53 0.00 0.00 176.83 177.09 2jps h VAL 48 N 0.42 1.33 0.07 2.23 2.07 0.77 -0.56 116.25 122.58 2jps h VAL 48 Ca 0.06 -1.90 -0.26 0.00 0.82 0.00 0.00 66.70 65.42 2jps h VAL 48 Cb 0.68 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2jps h VAL 48 CO 0.05 0.59 -1.12 0.58 0.02 0.00 0.00 177.57 177.69 2jps h VAL 49 N 0.42 1.37 -0.14 2.57 2.07 0.73 -2.63 116.25 120.63 2jps h VAL 49 Ca -0.01 -2.55 -0.11 0.00 0.82 0.00 0.00 66.70 64.85 2jps h VAL 49 Cb 1.19 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2jps h VAL 49 CO 0.12 0.76 -0.40 -0.78 0.02 0.00 0.00 177.57 177.29 2jps h ASP 50 N 0.23 0.33 -0.17 0.57 3.58 -0.62 0.16 116.42 120.50 2jps h ASP 50 Ca -0.13 -0.14 -0.22 0.00 0.42 0.00 0.00 57.03 56.96 2jps h ASP 50 Cb 1.78 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 42.75 2jps h ASP 50 CO 0.20 0.71 -0.73 -0.33 -2.88 0.00 0.00 179.24 176.20 2jps h GLU 51 N 0.27 0.81 -0.09 0.28 5.08 -1.12 -0.99 114.58 118.82 2jps h GLU 51 Ca 0.03 -0.63 -0.22 0.00 -1.00 0.00 0.00 59.36 57.53 2jps h GLU 51 Cb 0.83 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jps h GLU 51 CO 0.07 1.24 -0.83 -0.07 -1.00 0.00 0.00 179.01 178.41 2jps h LEU 52 N 0.57 0.78 -0.86 1.33 3.38 -1.38 -3.14 115.31 115.98 2jps h LEU 52 Ca -0.04 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 2jps h LEU 52 Cb 1.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2jps h LEU 52 CO 0.15 1.33 -0.04 0.00 0.09 0.00 0.00 178.44 179.97 2jps h ALA 53 N 0.65 1.05 -0.74 1.53 0.00 -0.70 0.97 119.26 122.02 2jps h ALA 53 Ca -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 53 Cb 1.46 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2jps h ALA 53 CO 0.16 0.59 0.49 0.77 0.00 0.00 0.00 179.25 181.26 2jps h SER 54 N 0.74 0.75 0.05 0.00 0.02 -1.13 -2.22 113.55 111.76 2jps h SER 54 Ca 0.14 -0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.71 2jps h SER 54 Cb 0.51 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2jps h SER 54 CO 0.03 0.50 -2.22 0.18 -1.14 0.00 0.00 176.83 174.18 2jps n LEU 55 N -4.46 2.72 -3.89 5.07 4.77 -1.02 -4.62 117.00 115.55 2jps n LEU 55 Ca 0.10 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 2jps n LEU 55 Cb 0.16 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.20 2jps n LEU 55 CO 0.34 0.85 0.47 0.49 -1.33 0.00 0.00 177.39 178.21 2jps n PHE 56 N -3.48 3.59 -1.22 -1.77 3.72 0.33 -4.85 117.46 113.78 2jps n PHE 56 Ca -0.40 -3.76 -0.17 0.00 -0.05 0.00 0.00 57.45 53.06 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 1.65 3.82 -0.07 4.37 2.03 -0.84 -4.33 116.55 123.17 2jps n ASP 57 Ca 0.25 -3.55 -0.18 0.00 0.52 0.00 0.00 54.79 51.83 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 -1.20 -1.92 0.00 0.00 177.20 174.08 2jps n SER 58 N -0.94 1.87 -4.88 1.67 7.64 -1.26 -4.95 113.62 112.78 2jps n SER 58 Ca 0.52 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 2jps n SER 58 Cb 1.53 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 64.23 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 -2.54 4.78 0.30 0.44 0.11 -1.26 -5.00 120.40 117.23 2jps s VAL 59 Ca -0.27 0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 2jps s VAL 59 Cb 0.08 -3.76 -0.13 0.00 -1.53 0.00 0.00 36.38 31.03 2jps s VAL 59 CO 0.69 -0.63 1.17 -1.20 -3.33 0.00 0.00 175.10 171.80 2jps n SER 60 N -1.59 2.08 -0.19 3.54 7.64 -1.26 -4.84 113.62 119.00 2jps n SER 60 Ca 0.03 1.19 0.20 0.00 1.01 0.00 0.00 58.87 61.30 2jps n SER 60 Cb 0.54 -1.39 0.57 0.00 -1.01 0.00 0.00 64.21 62.92 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 2.49 0.29 -0.90 1.43 3.08 -1.95 -0.66 114.38 118.15 2jps h ARG 61 Ca -0.43 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.67 2jps h ARG 61 Cb 1.31 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 2jps h ARG 61 CO 0.63 0.19 0.58 -0.44 -1.07 0.00 0.00 179.97 179.86 2jps h ASP 62 N 0.29 0.89 -0.54 7.04 5.19 -1.99 0.59 116.42 127.89 2jps h ASP 62 Ca 0.42 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.77 2jps h ASP 62 Cb 1.19 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 2jps h ASP 62 CO -0.12 0.56 0.06 0.74 -3.12 0.00 0.00 179.24 177.37 2jps h THR 63 N 1.01 1.26 -0.28 0.35 2.02 -1.45 -0.16 112.91 115.65 2jps h THR 63 Ca 0.39 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 2jps h THR 63 Cb 0.23 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2jps h THR 63 CO -0.15 0.36 -0.07 -0.07 0.37 0.00 0.00 175.52 175.96 2jps h LEU 64 N 0.80 0.55 -1.24 2.58 4.07 -1.34 -2.86 115.31 117.86 2jps h LEU 64 Ca 0.16 -0.37 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 2jps h LEU 64 Cb 0.44 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2jps h LEU 64 CO 0.02 0.79 0.42 0.00 -1.08 0.00 0.00 178.44 178.58 2jps h ALA 65 N 0.78 1.43 -0.81 1.53 0.00 -0.77 -1.76 119.26 119.66 2jps h ALA 65 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jps h ALA 65 Cb 0.55 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2jps h ALA 65 CO 0.03 0.49 0.52 -0.91 0.00 0.00 0.00 179.25 179.38 2jps h ASN 66 N 0.95 0.95 -0.12 0.00 2.35 -0.81 0.63 115.58 119.53 2jps h ASN 66 Ca 0.25 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 2jps h ASN 66 Cb -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2jps h ASN 66 CO -0.05 0.71 -0.50 0.58 -1.65 0.00 0.00 177.43 176.52 2jps h VAL 67 N 1.11 1.30 -0.34 2.81 2.07 -1.21 -2.74 116.25 119.24 2jps h VAL 67 Ca 0.30 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 2jps h VAL 67 Cb -0.10 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2jps h VAL 67 CO -0.06 0.54 -0.10 0.58 0.02 0.00 0.00 177.57 178.56 2jps h VAL 68 N 0.54 1.23 -0.16 2.57 2.07 -0.84 -2.78 116.25 118.88 2jps h VAL 68 Ca 0.02 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2jps h VAL 68 Cb 1.06 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2jps h VAL 68 CO 0.10 0.34 0.05 -0.61 0.02 0.00 0.00 177.57 177.47 2jps h GLN 69 N 0.54 0.26 0.00 1.57 4.15 -0.69 -2.64 115.11 118.29 2jps h GLN 69 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2jps h GLN 69 Cb 0.49 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 2jps h GLN 69 CO 0.03 0.38 -0.04 0.00 -1.93 0.00 0.00 178.83 177.27 2jps h THR 70 N 0.08 0.99 -0.50 2.39 1.03 -1.36 -1.68 112.91 113.85 2jps h THR 70 Ca 0.05 -0.14 -0.06 0.00 -0.01 0.00 0.00 66.41 66.26 2jps h THR 70 Cb 0.24 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 68.37 2jps h THR 70 CO -0.00 0.04 0.09 0.00 -0.01 0.00 0.00 175.52 175.64 2jps h ALA 71 N 1.96 0.66 0.00 0.00 0.00 -1.20 0.83 119.26 121.51 2jps h ALA 71 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jps h ALA 71 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jps h ALA 71 CO 0.01 0.38 -0.00 0.74 0.00 0.00 0.00 179.25 180.38 2jps h PHE 72 N 0.70 -0.00 -0.80 0.00 0.04 -1.12 0.39 116.94 116.16 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 0.38 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2jps h PHE 72 CO 0.03 0.17 0.40 0.35 -0.60 0.00 0.00 178.31 178.66 2jps h PHE 73 N -0.17 1.12 -0.72 -0.55 3.57 -1.19 -2.31 116.94 116.68 2jps h PHE 73 Ca -0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2jps h PHE 73 Cb 0.17 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2jps h PHE 73 CO -0.02 0.79 0.39 0.00 -2.23 0.00 0.00 178.31 177.25 2jps h ALA 74 N 1.32 0.92 -0.86 2.41 0.00 0.11 -1.34 119.26 121.81 2jps h ALA 74 Ca 0.28 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2jps h ALA 74 Cb 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2jps h ALA 74 CO -0.04 0.43 0.55 -0.07 0.00 0.00 0.00 179.25 180.12 2jps h LEU 75 N 0.99 0.89 -0.43 0.00 3.38 -0.37 0.34 115.31 120.10 2jps h LEU 75 Ca 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 75 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jps h LEU 75 CO -0.04 0.59 -0.18 -0.08 0.09 0.00 0.00 178.44 178.82 2jps h GLU 76 N 1.03 0.87 -0.44 1.13 4.81 -1.16 -1.19 114.58 119.65 2jps h GLU 76 Ca 0.36 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2jps h GLU 76 Cb 0.08 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jps h GLU 76 CO -0.14 1.02 -0.19 0.00 -0.73 0.00 0.00 179.01 178.97 2jps h ALA 77 N 0.83 0.85 -0.53 2.92 0.00 -0.61 -2.88 119.26 119.84 2jps h ALA 77 Ca 0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2jps h ALA 77 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jps h ALA 77 CO 0.06 0.64 -0.04 1.25 0.00 0.00 0.00 179.25 181.16 2jps h LEU 78 N 0.75 0.95 -1.78 0.00 5.85 -0.21 -1.90 115.31 118.97 2jps h LEU 78 Ca 0.11 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2jps h LEU 78 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2jps h LEU 78 CO 0.05 1.05 0.21 1.56 -0.34 0.00 0.00 178.44 180.98 2jps h GLN 79 N 0.84 0.28 0.24 1.25 7.50 -1.05 -2.64 115.11 121.53 2jps h GLN 79 Ca 0.14 -0.02 -0.34 0.00 0.50 0.00 0.00 58.65 58.94 2jps h GLN 79 Cb 0.59 -0.06 0.03 0.00 0.05 0.00 0.00 27.48 28.09 2jps h GLN 79 CO 0.04 0.19 -1.53 0.37 -1.50 0.00 0.00 178.83 176.39 2jps h GLN 80 N 0.29 0.52 0.00 1.46 5.75 -1.28 -3.49 115.11 118.36 2jps h GLN 80 Ca 0.13 -0.89 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 2jps h GLN 80 Cb 0.17 0.33 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2jps h GLN 80 CO -0.03 1.42 0.00 0.41 -2.65 0.00 0.00 178.83 177.99 2jps n GLY 81 N 1.74 0.39 3.54 2.39 0.00 -0.74 -5.13 105.19 107.37 2jps n GLY 81 Ca -0.18 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 1.84 -0.07 1.61 0.41 -1.19 -4.98 118.70 116.32 2jps s GLU 82 Ca 0.00 -2.05 0.03 0.00 -0.41 0.00 0.00 54.97 52.54 2jps s GLU 82 Cb 0.00 -1.18 -0.02 0.00 -1.78 0.00 0.00 34.13 31.14 2jps s GLU 82 CO 0.00 -0.18 -0.14 -1.12 -0.49 0.00 0.00 175.26 173.33 2jps s SER 83 N -3.61 4.01 -0.21 -0.19 0.01 -1.26 -4.93 113.70 107.51 2jps s SER 83 Ca 0.32 -0.23 0.13 0.00 1.31 0.00 0.00 55.95 57.48 2jps s SER 83 Cb 0.08 -1.03 -0.23 0.00 0.21 0.00 0.00 66.02 65.06 2jps s SER 83 CO 0.15 0.30 0.01 0.00 0.41 0.00 0.00 173.24 174.11 2jps n ALA 84 N 2.61 1.47 -0.28 1.44 0.00 -1.26 -4.42 120.51 120.07 2jps n ALA 84 Ca -0.17 -1.24 0.06 0.00 0.00 0.00 0.00 53.44 52.08 2jps n ALA 84 Cb 0.52 -0.19 0.28 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.80 0.00 4.57 -1.95 -1.50 114.58 115.79 2jps h GLU 85 Ca -0.55 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.63 2jps h GLU 85 Cb 2.14 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 30.48 2jps h GLU 85 CO -0.00 0.59 0.52 -0.91 -1.18 0.00 0.00 179.01 178.03 2jps h ASN 86 N 0.92 0.79 -0.57 1.04 2.35 -2.02 -1.59 115.58 116.51 2jps h ASN 86 Ca 0.39 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.10 2jps h ASN 86 Cb 0.32 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2jps h ASN 86 CO -0.16 0.53 0.20 0.40 -1.65 0.00 0.00 177.43 176.75 2jps h ILE 87 N 0.91 1.23 -0.80 2.81 2.04 -1.50 -2.51 117.51 119.69 2jps h ILE 87 Ca 0.33 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2jps h ILE 87 Cb 0.16 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2jps h ILE 87 CO -0.11 0.30 0.53 0.58 0.00 0.00 0.00 178.15 179.44 2jps h VAL 88 N 0.88 1.11 -0.84 1.67 2.07 -1.25 -1.54 116.25 118.35 2jps h VAL 88 Ca 0.20 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2jps h VAL 88 Cb 0.24 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2jps h VAL 88 CO -0.01 0.18 0.51 0.28 0.02 0.00 0.00 177.57 178.54 2jps h SER 89 N 0.97 0.78 0.05 0.57 0.02 -1.38 0.75 113.55 115.31 2jps h SER 89 Ca 0.32 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2jps h SER 89 Cb 0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2jps h SER 89 CO -0.10 0.49 -0.52 0.11 -1.14 0.00 0.00 176.83 175.67 2jps h LYS 90 N 0.91 0.52 -0.27 3.45 1.57 -1.36 -2.62 116.57 118.76 2jps h LYS 90 Ca 0.38 -0.31 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 2jps h LYS 90 Cb 0.22 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2jps h LYS 90 CO -0.19 0.91 -0.56 0.82 -0.57 0.00 0.00 179.45 179.86 2jps h ILE 91 N 0.40 1.28 -0.70 1.86 1.08 -0.27 -2.14 117.51 119.02 2jps h ILE 91 Ca 0.01 -1.75 -0.01 0.00 -0.39 0.00 0.00 64.86 62.72 2jps h ILE 91 Cb 1.05 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 2jps h ILE 91 CO 0.10 0.57 0.39 -0.09 -0.69 0.00 0.00 178.15 178.42 2jps h ARG 92 N 0.63 0.97 -0.24 2.37 2.43 0.53 0.83 114.38 121.90 2jps h ARG 92 Ca 0.01 -0.10 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 2jps h ARG 92 Cb 1.16 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2jps h ARG 92 CO 0.12 0.71 -0.62 1.98 -1.51 0.00 0.00 179.97 180.64 2jps h MET 93 N 0.98 0.84 -0.14 0.20 4.05 -1.38 0.26 114.93 119.74 2jps h MET 93 Ca 0.25 -0.59 -0.21 0.00 -0.28 0.00 0.00 59.70 58.87 2jps h MET 93 Cb 0.02 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2jps h MET 93 CO -0.04 1.21 -0.74 1.98 0.23 0.00 0.00 176.91 179.55 2jps h MET 94 N 0.61 0.69 -0.12 0.39 4.05 -0.94 -1.72 114.93 117.88 2jps h MET 94 Ca -0.01 -0.55 -0.19 0.00 -0.28 0.00 0.00 59.70 58.67 2jps h MET 94 Cb 1.24 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 32.15 2jps h MET 94 CO 0.14 1.16 -0.70 -0.91 0.23 0.00 0.00 176.91 176.83 2jps h ASN 95 N 0.47 0.62 -0.27 1.39 2.35 0.68 -3.01 115.58 117.82 2jps h ASN 95 Ca -0.04 -0.39 -0.11 0.00 -0.55 0.00 0.00 56.30 55.21 2jps h ASN 95 Cb 1.35 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2jps h ASN 95 CO 0.15 1.13 -0.23 0.00 -1.65 0.00 0.00 177.43 176.84 2jps h ALA 96 N 0.86 0.90 -0.93 -0.83 0.00 -0.46 -2.90 119.26 115.90 2jps h ALA 96 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 96 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jps h ALA 96 CO 0.13 0.62 0.56 0.37 0.00 0.00 0.00 179.25 180.93 2jps h GLN 97 N 0.65 1.26 -0.83 0.00 4.15 -1.25 0.85 115.11 119.94 2jps h GLN 97 Ca 0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2jps h GLN 97 Cb 0.73 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2jps h GLN 97 CO 0.06 0.88 0.49 0.66 -1.93 0.00 0.00 178.83 178.99 2jps h SER 98 N 1.28 1.00 -0.63 -0.69 4.64 -1.38 -2.99 113.55 114.79 2jps h SER 98 Ca 0.33 -0.06 -0.45 0.00 -0.47 0.00 0.00 61.79 61.14 2jps h SER 98 Cb -0.06 -0.25 -0.33 0.00 -0.31 0.00 0.00 62.40 61.44 2jps h SER 98 CO -0.06 0.78 -0.60 -0.11 -0.87 0.00 0.00 176.83 175.96 2jps n LEU 99 N -4.37 4.74 -3.19 5.97 7.94 -0.84 -4.89 117.00 122.37 2jps n LEU 99 Ca 0.09 -4.53 -0.11 0.00 -1.11 0.00 0.00 56.01 50.35 2jps n LEU 99 Cb 0.07 -0.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.54 2jps n LEU 99 CO 0.38 1.91 -0.06 -0.83 -1.11 0.00 0.00 177.39 177.68 2jps s GLY 100 N -3.36 -0.43 -0.16 -3.96 0.00 0.29 -4.96 107.32 94.75 2jps s GLY 100 Ca 0.50 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.42 2jps s GLY 100 CO 0.02 3.08 -0.09 1.20 0.00 0.00 0.00 173.10 177.31 2jps s GLN 101 N 1.20 3.46 -1.12 2.90 1.11 -1.26 -4.59 119.66 121.36 2jps s GLN 101 Ca 0.22 -0.63 -0.15 0.00 0.01 0.00 0.00 55.36 54.81 2jps s GLN 101 Cb -0.07 -2.79 -0.03 0.00 -1.01 0.00 0.00 33.01 29.12 2jps s GLN 101 CO -0.06 0.13 0.82 0.45 0.01 0.00 0.00 175.29 176.64 2jps n SER 102 N 3.81 -5.47 0.15 5.90 2.88 -1.26 -4.90 113.62 114.73 2jps n SER 102 Ca -0.18 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 2jps n SER 102 Cb 0.52 -3.94 0.00 0.00 -0.75 0.00 0.00 64.21 60.04 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jps n ASP 103 N -2.85 -0.67 -3.74 -3.46 -0.08 -1.26 -5.13 116.55 99.35 2jps n ASP 103 Ca -0.10 0.53 -0.12 0.00 -1.51 0.00 0.00 54.79 53.59 2jps n ASP 103 Cb 0.60 0.83 -0.12 0.00 2.34 0.00 0.00 41.12 44.78 2jps n ASP 103 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2jps s ILE 104 N -2.00 -0.02 0.00 5.18 1.10 -1.26 -5.24 121.20 118.96 2jps s ILE 104 Ca 0.00 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 2jps s ILE 104 Cb 0.00 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 42.15 2jps s ILE 104 CO 0.00 0.03 0.00 0.00 -2.11 0.00 0.00 174.94 172.86