#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 1.70 -0.35 6.12 0.15 -1.26 -5.03 113.70 115.04 2jps s SER 2 Ca 0.00 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.48 2jps s SER 2 Cb 0.00 -0.69 0.46 0.00 -1.71 0.00 0.00 66.02 64.07 2jps s SER 2 CO 0.00 -0.07 1.33 0.00 1.20 0.00 0.00 173.24 175.70 2jps n GLN 3 N 4.44 3.35 -0.26 5.44 1.13 -1.26 -4.78 117.38 125.44 2jps n GLN 3 Ca -0.18 -3.97 0.02 0.00 -1.94 0.00 0.00 57.00 50.93 2jps n GLN 3 Cb 0.51 -2.25 0.24 0.00 0.11 0.00 0.00 30.24 28.85 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jps h GLU 4 N 2.08 1.01 -0.89 -1.09 4.22 -1.98 -0.47 114.58 117.46 2jps h GLU 4 Ca 0.39 -0.06 0.09 0.00 0.08 0.00 0.00 59.36 59.86 2jps h GLU 4 Cb 1.41 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 2jps h GLU 4 CO 0.86 0.67 0.53 0.37 -2.18 0.00 0.00 179.01 179.25 2jps h GLN 5 N 1.04 0.87 -0.04 1.92 5.75 -1.99 0.90 115.11 123.57 2jps h GLN 5 Ca 0.33 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.58 2jps h GLN 5 Cb 0.01 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 2jps h GLN 5 CO -0.09 0.58 -0.82 1.88 -2.65 0.00 0.00 178.83 177.73 2jps h TYR 6 N 0.90 0.49 -0.44 3.99 -1.99 -1.71 -1.98 116.97 116.24 2jps h TYR 6 Ca 0.42 -0.24 -0.14 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.35 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 2jps h TYR 6 CO -0.04 1.02 -0.29 1.15 -0.00 0.00 0.00 178.16 180.00 2jps h THR 7 N 0.22 1.27 -0.39 -2.88 2.02 0.50 0.73 112.91 114.39 2jps h THR 7 Ca -0.05 -1.46 -0.13 0.00 0.77 0.00 0.00 66.41 65.54 2jps h THR 7 Cb 1.42 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2jps h THR 7 CO 0.14 0.50 -0.26 -0.08 0.37 0.00 0.00 175.52 176.18 2jps h GLU 8 N 0.81 0.86 -0.14 6.66 4.81 0.76 0.28 114.58 128.63 2jps h GLU 8 Ca 0.09 -0.41 -0.23 0.00 -0.13 0.00 0.00 59.36 58.68 2jps h GLU 8 Cb 0.88 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.27 2jps h GLU 8 CO 0.08 1.05 -0.79 -0.91 -0.73 0.00 0.00 179.01 177.71 2jps h ASN 9 N 0.67 0.93 -0.41 1.04 4.21 -1.29 -3.08 115.58 117.66 2jps h ASN 9 Ca 0.08 -0.64 -0.09 0.00 1.21 0.00 0.00 56.30 56.86 2jps h ASN 9 Cb 0.84 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 2jps h ASN 9 CO 0.07 1.43 -0.05 0.25 -1.29 0.00 0.00 177.43 177.84 2jps h LEU 10 N 0.51 0.82 -1.49 1.61 5.85 0.55 -2.58 115.31 120.58 2jps h LEU 10 Ca -0.06 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2jps h LEU 10 Cb 1.43 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2jps h LEU 10 CO 0.16 0.91 0.40 0.50 -0.34 0.00 0.00 178.44 180.08 2jps h LYS 11 N 0.77 0.62 -0.01 1.25 3.64 -0.40 0.17 116.57 122.62 2jps h LYS 11 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2jps h LYS 11 Cb 0.53 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2jps h LYS 11 CO 0.03 0.41 -0.00 0.28 -2.27 0.00 0.00 179.45 177.90 2jps h VAL 12 N 0.64 1.34 -0.63 2.00 2.07 -1.38 -1.15 116.25 119.14 2jps h VAL 12 Ca 0.25 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2jps h VAL 12 Cb 0.19 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2jps h VAL 12 CO -0.07 0.26 0.26 0.40 0.02 0.00 0.00 177.57 178.44 2jps h ILE 13 N -0.40 1.22 -0.57 4.57 2.04 -1.26 -2.07 117.51 121.04 2jps h ILE 13 Ca 0.00 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2jps h ILE 13 Cb 0.43 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2jps h ILE 13 CO 0.00 0.28 0.17 0.58 0.00 0.00 0.00 178.15 179.18 2jps h VAL 14 N 0.91 1.24 -0.40 1.67 2.07 -0.60 -2.48 116.25 118.66 2jps h VAL 14 Ca 0.22 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jps h VAL 14 Cb 0.17 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jps h VAL 14 CO -0.02 0.31 0.14 0.00 0.02 0.00 0.00 177.57 178.02 2jps h ALA 15 N 1.04 1.49 -0.87 1.67 0.00 -0.71 -2.30 119.26 119.58 2jps h ALA 15 Ca 0.18 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2jps h ALA 15 Cb 0.29 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2jps h ALA 15 CO -0.00 0.39 0.57 1.49 0.00 0.00 0.00 179.25 181.69 2jps h GLU 16 N 0.57 0.54 0.04 0.00 4.81 -0.90 0.78 114.58 120.43 2jps h GLU 16 Ca 0.14 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2jps h GLU 16 Cb 0.15 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2jps h GLU 16 CO -0.01 0.36 -0.52 -0.22 -0.73 0.00 0.00 179.01 177.89 2jps h LYS 17 N 0.56 0.09 -0.03 1.92 1.63 -1.46 -2.42 116.57 116.86 2jps h LYS 17 Ca 0.45 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2jps h LYS 17 Cb 0.89 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2jps h LYS 17 CO -0.19 1.07 0.01 -0.07 -3.45 0.00 0.00 179.45 176.83 2jps h LEU 18 N -0.79 0.04 -1.72 5.20 3.38 -1.08 0.13 115.31 120.47 2jps h LEU 18 Ca -0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2jps h LEU 18 Cb 1.27 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2jps h LEU 18 CO 0.01 0.17 -0.18 0.00 0.09 0.00 0.00 178.44 178.53 2jps h ALA 19 N 0.87 1.46 0.11 1.53 0.00 0.42 -2.85 119.26 120.79 2jps h ALA 19 Ca 0.01 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2jps h ALA 19 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jps h ALA 19 CO -0.00 0.22 -1.20 0.78 0.00 0.00 0.00 179.25 179.05 2jps h GLY 20 N 0.77 0.34 -5.04 0.00 0.00 -0.95 -3.46 103.07 94.73 2jps h GLY 20 Ca -0.00 -0.81 -0.61 0.00 0.00 0.00 0.00 47.33 45.91 2jps h GLY 20 CO 0.02 0.71 0.65 1.39 0.00 0.00 0.00 176.54 179.31 2jps n ILE 21 N -3.57 0.21 0.24 2.60 5.41 -0.01 -4.86 119.36 119.37 2jps n ILE 21 Ca -0.08 -0.05 0.13 0.00 1.00 0.00 0.00 62.75 63.74 2jps n ILE 21 Cb 0.99 -1.31 0.49 0.00 -0.71 0.00 0.00 39.64 39.10 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 5.15 0.00 -0.82 0.38 0.13 -1.88 -3.15 132.00 131.82 2jps h PRO 22 Ca -0.45 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 2jps h PRO 22 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.83 0.13 0.42 0.09 -0.23 0.00 0.00 178.00 179.24 2jps n ASN 23 N -3.23 4.24 -3.85 1.44 3.02 -1.26 -4.82 115.26 110.79 2jps n ASN 23 Ca 0.01 -3.70 -0.30 0.00 -0.03 0.00 0.00 54.58 50.56 2jps n ASN 23 Cb 0.41 -0.79 -0.14 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.41 2.66 0.01 3.10 2.19 -1.19 -4.99 117.98 116.36 2jps s PHE 24 Ca 0.55 -2.78 0.04 0.00 0.33 0.00 0.00 56.93 55.07 2jps s PHE 24 Cb 0.46 -2.39 -0.03 0.00 -1.31 0.00 0.00 43.02 39.75 2jps s PHE 24 CO 0.05 -0.78 -0.07 1.21 1.83 0.00 0.00 175.22 177.46 2jps s ASN 25 N 0.19 4.62 0.57 6.13 2.47 -1.26 -4.88 114.94 122.79 2jps s ASN 25 Ca 0.16 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.28 2jps s ASN 25 Cb -0.24 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.49 2jps s ASN 25 CO -0.02 0.27 0.00 1.21 -3.72 0.00 0.00 177.10 174.84 2jps n GLU 26 N 1.46 -3.19 -3.57 0.43 2.13 -1.26 -4.76 120.64 111.88 2jps n GLU 26 Ca -0.15 2.56 -0.27 0.00 0.66 0.00 0.00 57.16 59.97 2jps n GLU 26 Cb 0.52 -3.77 0.00 0.00 0.27 0.00 0.00 31.44 28.46 2jps n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jps n ASP 27 N -4.33 -4.08 -0.11 4.31 8.00 -1.26 -4.86 116.55 114.23 2jps n ASP 27 Ca -0.08 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.75 2jps n ASP 27 Cb 0.67 -3.33 -0.14 0.00 -0.02 0.00 0.00 41.12 38.30 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jps n ILE 28 N -4.20 1.39 0.09 0.53 0.00 -1.26 -3.45 119.36 112.46 2jps n ILE 28 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 62.75 61.83 2jps n ILE 28 Cb 0.54 -0.80 -0.15 0.00 0.00 0.00 0.00 39.64 39.23 2jps n ILE 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jps h LYS 29 N 0.00 0.34 -0.00 9.51 3.64 -1.99 -3.08 116.57 124.98 2jps h LYS 29 Ca -0.55 -0.58 -0.15 0.00 -1.27 0.00 0.00 60.65 58.11 2jps h LYS 29 Cb 2.10 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 34.11 2jps h LYS 29 CO -0.01 1.24 -0.68 1.88 -2.27 0.00 0.00 179.45 179.60 2jps h TYR 30 N 0.09 0.02 -0.23 1.91 0.05 -1.97 -3.10 116.97 113.74 2jps h TYR 30 Ca -0.23 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.37 2jps h TYR 30 Cb 2.05 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.78 2jps h TYR 30 CO 0.08 0.70 -0.51 -0.24 -1.05 0.00 0.00 178.16 177.14 2jps h VAL 31 N 0.01 1.30 -0.72 -2.88 3.04 -1.64 -3.04 116.25 112.33 2jps h VAL 31 Ca -0.01 -1.73 -0.05 0.00 -1.01 0.00 0.00 66.70 63.91 2jps h VAL 31 Cb 1.21 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 32.13 2jps h VAL 31 CO 0.09 0.55 0.26 0.00 -1.01 0.00 0.00 177.57 177.45 2jps h ALA 32 N 0.92 1.10 -0.39 3.17 0.00 -1.51 -1.48 119.26 121.08 2jps h ALA 32 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jps h ALA 32 Cb 1.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 32 CO 0.10 0.63 0.23 0.93 0.00 0.00 0.00 179.25 181.14 2jps h GLU 33 N 1.05 0.45 -0.82 0.00 5.08 -1.46 0.61 114.58 119.49 2jps h GLU 33 Ca 0.24 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2jps h GLU 33 Cb 0.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2jps h GLU 33 CO -0.01 0.30 0.35 -0.92 -1.00 0.00 0.00 179.01 177.72 2jps h TYR 34 N 0.46 1.21 -0.24 4.33 3.20 -1.39 0.12 116.97 124.67 2jps h TYR 34 Ca 0.15 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jps h TYR 34 Cb 0.00 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.07 0.90 0.15 0.82 -1.64 0.00 0.00 178.16 178.32 2jps h ILE 35 N 1.18 1.08 -0.66 1.81 2.04 -0.47 0.13 117.51 122.61 2jps h ILE 35 Ca 0.28 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2jps h ILE 35 Cb 0.18 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2jps h ILE 35 CO -0.03 0.07 0.29 0.58 0.00 0.00 0.00 178.15 179.07 2jps h VAL 36 N 0.31 1.23 -0.74 1.67 2.07 -0.53 -0.21 116.25 120.06 2jps h VAL 36 Ca 0.09 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2jps h VAL 36 Cb -0.01 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2jps h VAL 36 CO -0.02 0.28 0.45 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 0.93 0.72 -0.54 2.57 5.85 -0.17 0.37 115.31 125.04 2jps h LEU 37 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2jps h LEU 37 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2jps h LEU 37 CO -0.02 0.48 0.21 -0.07 -0.34 0.00 0.00 178.44 178.70 2jps h LEU 38 N 0.85 0.75 -0.13 2.25 3.38 -0.18 0.10 115.31 122.34 2jps h LEU 38 Ca 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jps h LEU 38 Cb 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jps h LEU 38 CO -0.14 0.72 0.09 0.40 0.09 0.00 0.00 178.44 179.59 2jps h ILE 39 N 0.74 1.03 -0.52 1.22 1.08 0.22 -2.00 117.51 119.28 2jps h ILE 39 Ca 0.18 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 2jps h ILE 39 Cb 0.20 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2jps h ILE 39 CO -0.01 0.03 0.22 0.58 -0.69 0.00 0.00 178.15 178.27 2jps h VAL 40 N 0.18 1.19 -0.82 1.67 2.07 -0.04 -2.37 116.25 118.12 2jps h VAL 40 Ca 0.05 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2jps h VAL 40 Cb -0.02 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2jps h VAL 40 CO -0.01 0.23 0.54 0.78 0.02 0.00 0.00 177.57 179.13 2jps h ASN 41 N 0.73 0.84 0.00 0.57 2.35 -0.07 -3.45 115.58 116.56 2jps h ASN 41 Ca 0.18 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2jps h ASN 41 Cb 0.13 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2jps h ASN 41 CO -0.02 0.57 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 2jps n GLY 42 N -1.41 -1.72 0.00 2.83 0.00 -0.91 -5.08 105.19 98.90 2jps n GLY 42 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.36 0.68 2.97 -0.02 0.00 -1.14 -4.97 105.19 101.34 2jps n GLY 43 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.83 1.51 0.39 2.61 -4.23 -1.26 -5.01 115.64 108.81 2jps s THR 44 Ca 0.00 -0.92 0.15 0.00 -1.18 0.00 0.00 61.69 59.74 2jps s THR 44 Cb 0.00 -1.62 0.37 0.00 1.34 0.00 0.00 72.50 72.59 2jps s THR 44 CO 0.00 0.15 1.81 0.58 -0.54 0.00 0.00 174.62 176.62 2jps h VAL 45 N 6.40 0.64 0.40 2.29 2.07 -1.96 0.86 116.25 126.95 2jps h VAL 45 Ca -0.26 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2jps h VAL 45 Cb 1.10 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jps h VAL 45 CO 0.46 0.09 -0.19 -0.08 0.02 0.00 0.00 177.57 177.86 2jps h GLU 46 N 0.49 -0.52 -0.26 1.57 4.81 -1.97 0.83 114.58 119.53 2jps h GLU 46 Ca 0.53 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.70 2jps h GLU 46 Cb 1.21 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2jps h GLU 46 CO -0.26 -0.21 -0.25 1.03 -0.73 0.00 0.00 179.01 178.59 2jps h SER 47 N -0.83 0.50 -0.01 1.04 0.87 -1.82 0.29 113.55 113.59 2jps h SER 47 Ca -0.05 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.15 2jps h SER 47 Cb 0.54 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2jps h SER 47 CO 0.09 0.75 -0.63 0.58 -0.53 0.00 0.00 176.83 177.09 2jps h VAL 48 N 0.44 1.32 0.07 2.23 2.07 0.79 -0.51 116.25 122.65 2jps h VAL 48 Ca 0.06 -1.90 -0.26 0.00 0.82 0.00 0.00 66.70 65.43 2jps h VAL 48 Cb 0.68 1.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2jps h VAL 48 CO 0.05 0.59 -1.11 0.58 0.02 0.00 0.00 177.57 177.70 2jps h VAL 49 N 0.46 1.37 -0.24 2.57 2.07 0.89 -2.44 116.25 120.93 2jps h VAL 49 Ca -0.01 -2.56 -0.11 0.00 0.82 0.00 0.00 66.70 64.85 2jps h VAL 49 Cb 1.21 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2jps h VAL 49 CO 0.12 0.77 -0.30 -0.78 0.02 0.00 0.00 177.57 177.40 2jps h ASP 50 N 0.23 0.49 -0.16 0.57 3.58 -0.40 0.36 116.42 121.09 2jps h ASP 50 Ca -0.13 -0.18 -0.17 0.00 0.42 0.00 0.00 57.03 56.97 2jps h ASP 50 Cb 1.78 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.70 2jps h ASP 50 CO 0.20 0.77 -0.55 -0.33 -2.88 0.00 0.00 179.24 176.45 2jps h GLU 51 N 0.42 0.66 -0.21 0.28 5.08 -1.11 -0.84 114.58 118.86 2jps h GLU 51 Ca 0.05 -0.49 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 2jps h GLU 51 Cb 0.73 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2jps h GLU 51 CO 0.06 1.11 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.51 2jps h LEU 52 N 0.33 0.77 -0.73 1.33 3.38 -1.34 -3.07 115.31 115.98 2jps h LEU 52 Ca -0.02 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2jps h LEU 52 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2jps h LEU 52 CO 0.12 1.19 0.03 0.00 0.09 0.00 0.00 178.44 179.87 2jps h ALA 53 N 0.81 0.94 -0.57 1.53 0.00 -0.27 0.95 119.26 122.66 2jps h ALA 53 Ca -0.00 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2jps h ALA 53 Cb 1.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2jps h ALA 53 CO 0.12 0.64 0.38 0.77 0.00 0.00 0.00 179.25 181.16 2jps h SER 54 N 0.92 0.49 0.04 0.00 0.02 -1.06 -2.65 113.55 111.31 2jps h SER 54 Ca 0.17 -0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.74 2jps h SER 54 Cb 0.50 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2jps h SER 54 CO 0.02 0.32 -2.29 0.18 -1.14 0.00 0.00 176.83 173.93 2jps n LEU 55 N -4.47 2.76 -3.97 5.07 4.32 -1.00 -4.63 117.00 115.08 2jps n LEU 55 Ca 0.08 0.03 -0.38 0.00 -0.02 0.00 0.00 56.01 55.72 2jps n LEU 55 Cb 0.22 -0.97 -0.04 0.00 -1.62 0.00 0.00 43.42 41.01 2jps n LEU 55 CO 0.34 0.86 0.60 0.49 -1.22 0.00 0.00 177.39 178.47 2jps n PHE 56 N -3.45 3.62 -1.14 -1.77 3.72 0.32 -4.84 117.46 113.93 2jps n PHE 56 Ca -0.42 -3.62 -0.16 0.00 -0.05 0.00 0.00 57.45 53.21 2jps n PHE 56 Cb 0.99 -1.13 0.24 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.73 4.24 -0.07 4.37 5.75 -1.01 -4.39 116.55 127.18 2jps n ASP 57 Ca 0.25 -3.44 -0.12 0.00 -0.01 0.00 0.00 54.79 51.47 2jps n ASP 57 Cb 0.37 -0.80 -0.15 0.00 -1.03 0.00 0.00 41.12 39.51 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2jps n SER 58 N -0.71 0.82 -4.94 -1.12 2.88 -1.26 -4.95 113.62 104.35 2jps n SER 58 Ca 0.52 0.12 -0.26 0.00 -1.33 0.00 0.00 58.87 57.91 2jps n SER 58 Cb 1.56 0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.24 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 5.26 0.39 2.46 0.11 -1.26 -5.05 120.40 119.78 2jps s VAL 59 Ca -0.14 -0.54 -0.25 0.00 -2.93 0.00 0.00 61.98 58.12 2jps s VAL 59 Cb 0.07 -3.75 -0.11 0.00 -1.53 0.00 0.00 36.38 31.06 2jps s VAL 59 CO 0.78 -0.16 0.97 -1.20 -3.33 0.00 0.00 175.10 172.17 2jps n SER 60 N -0.68 1.10 -0.19 3.54 7.64 -1.26 -4.83 113.62 118.93 2jps n SER 60 Ca -0.06 1.05 0.19 0.00 1.01 0.00 0.00 58.87 61.07 2jps n SER 60 Cb 0.54 -1.32 0.55 0.00 -1.01 0.00 0.00 64.21 62.97 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jps h ARG 61 N 1.57 0.32 -0.81 1.43 2.47 -1.96 -0.58 114.38 116.82 2jps h ARG 61 Ca -0.43 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.36 2jps h ARG 61 Cb 1.34 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.53 2jps h ARG 61 CO 0.57 0.21 0.53 0.22 0.56 0.00 0.00 179.97 182.06 2jps h ASP 62 N 0.33 0.69 -0.42 7.04 3.58 -1.99 0.17 116.42 125.82 2jps h ASP 62 Ca 0.42 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.80 2jps h ASP 62 Cb 1.14 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2jps h ASP 62 CO -0.13 0.41 -0.06 0.74 -2.88 0.00 0.00 179.24 177.32 2jps h THR 63 N 0.77 1.27 -0.29 2.25 2.02 -1.43 -0.35 112.91 117.15 2jps h THR 63 Ca 0.37 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2jps h THR 63 Cb 0.43 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2jps h THR 63 CO -0.15 0.39 -0.15 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.61 0.63 -1.32 2.58 4.07 -1.32 -2.89 115.31 117.67 2jps h LEU 64 Ca 0.11 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 2jps h LEU 64 Cb 0.58 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 2jps h LEU 64 CO 0.03 0.90 0.36 0.00 -1.08 0.00 0.00 178.44 178.66 2jps h ALA 65 N 0.75 1.49 -0.83 1.53 0.00 -0.62 -1.67 119.26 119.91 2jps h ALA 65 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jps h ALA 65 Cb 0.67 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2jps h ALA 65 CO 0.04 0.44 0.55 -0.91 0.00 0.00 0.00 179.25 179.37 2jps h ASN 66 N 0.84 0.96 -0.18 0.00 2.35 -0.85 0.40 115.58 119.11 2jps h ASN 66 Ca 0.22 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.76 2jps h ASN 66 Cb -0.03 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 2jps h ASN 66 CO -0.04 0.70 -0.56 0.58 -1.65 0.00 0.00 177.43 176.45 2jps h VAL 67 N 1.13 1.29 -0.44 2.81 2.07 -1.28 -2.40 116.25 119.44 2jps h VAL 67 Ca 0.31 -1.77 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 2jps h VAL 67 Cb -0.13 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2jps h VAL 67 CO -0.07 0.57 -0.11 0.58 0.02 0.00 0.00 177.57 178.56 2jps h VAL 68 N 0.59 1.26 -0.19 2.57 2.07 -0.82 -2.61 116.25 119.11 2jps h VAL 68 Ca 0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2jps h VAL 68 Cb 1.15 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2jps h VAL 68 CO 0.12 0.40 0.07 -0.61 0.02 0.00 0.00 177.57 177.57 2jps h GLN 69 N 0.71 0.29 -0.04 1.57 4.15 -0.08 -2.59 115.11 119.13 2jps h GLN 69 Ca 0.12 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2jps h GLN 69 Cb 0.59 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2jps h GLN 69 CO 0.04 0.38 -0.05 0.00 -1.93 0.00 0.00 178.83 177.27 2jps h THR 70 N 0.15 1.06 -0.59 2.39 1.03 -1.34 -1.97 112.91 113.64 2jps h THR 70 Ca 0.06 -0.26 -0.07 0.00 -0.01 0.00 0.00 66.41 66.13 2jps h THR 70 Cb 0.20 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.35 2jps h THR 70 CO -0.00 0.08 0.09 0.00 -0.01 0.00 0.00 175.52 175.67 2jps h ALA 71 N 1.90 0.78 -0.21 0.00 0.00 -1.09 -0.49 119.26 120.16 2jps h ALA 71 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jps h ALA 71 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jps h ALA 71 CO 0.01 0.54 0.11 0.74 0.00 0.00 0.00 179.25 180.65 2jps h PHE 72 N 0.88 0.30 -0.80 0.00 0.04 -1.09 -1.59 116.94 114.68 2jps h PHE 72 Ca 0.18 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jps h PHE 72 Cb 0.43 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 2jps h PHE 72 CO 0.03 0.28 0.48 0.74 -0.60 0.00 0.00 178.31 179.24 2jps h PHE 73 N 0.22 1.04 -0.63 -0.55 0.04 -1.30 -2.29 116.94 113.48 2jps h PHE 73 Ca 0.07 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 2jps h PHE 73 Cb 0.09 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 2jps h PHE 73 CO -0.03 0.70 0.39 0.00 -0.60 0.00 0.00 178.31 178.77 2jps h ALA 74 N 1.43 0.80 -0.96 2.45 0.00 -0.55 -1.47 119.26 120.95 2jps h ALA 74 Ca 0.29 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jps h ALA 74 Cb -0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 2jps h ALA 74 CO -0.05 0.27 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 2jps h LEU 75 N 0.85 1.01 -0.47 0.00 3.38 -0.73 0.24 115.31 119.60 2jps h LEU 75 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2jps h LEU 75 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2jps h LEU 75 CO -0.04 0.66 -0.13 -0.08 0.09 0.00 0.00 178.44 178.94 2jps h GLU 76 N 1.16 0.91 -0.50 1.13 4.81 -1.18 -1.69 114.58 119.22 2jps h GLU 76 Ca 0.40 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2jps h GLU 76 Cb 0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jps h GLU 76 CO -0.15 1.01 -0.12 0.00 -0.73 0.00 0.00 179.01 179.02 2jps h ALA 77 N 0.87 0.68 -0.79 2.92 0.00 -0.54 -2.89 119.26 119.52 2jps h ALA 77 Ca 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2jps h ALA 77 Cb 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2jps h ALA 77 CO 0.05 0.59 0.38 -0.07 0.00 0.00 0.00 179.25 180.21 2jps h LEU 78 N 0.81 1.02 -1.86 0.00 3.38 -0.42 0.80 115.31 119.04 2jps h LEU 78 Ca 0.13 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 78 Cb 0.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jps h LEU 78 CO 0.05 0.86 0.24 1.56 0.09 0.00 0.00 178.44 181.23 2jps h GLN 79 N 1.12 0.16 0.10 1.13 4.20 -1.09 -2.93 115.11 117.80 2jps h GLN 79 Ca 0.27 -0.01 -0.37 0.00 0.06 0.00 0.00 58.65 58.60 2jps h GLN 79 Cb 0.10 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2jps h GLN 79 CO -0.04 0.11 -2.11 0.94 -0.67 0.00 0.00 178.83 177.06 2jps n GLN 80 N -4.47 0.73 0.00 1.46 7.27 -0.79 -5.03 117.38 116.56 2jps n GLN 80 Ca 0.04 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2jps n GLN 80 Cb 0.30 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.28 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jps n GLY 81 N 2.05 0.24 3.65 1.69 0.00 0.21 -5.13 105.19 107.89 2jps n GLY 81 Ca -0.35 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2jps n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jps s GLU 82 N 0.00 2.04 -0.08 1.61 2.12 -1.10 -4.95 118.70 118.34 2jps s GLU 82 Ca 0.00 -1.96 0.02 0.00 0.36 0.00 0.00 54.97 53.39 2jps s GLU 82 Cb 0.00 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 2jps s GLU 82 CO 0.00 -0.02 -0.14 -1.12 -0.54 0.00 0.00 175.26 173.44 2jps s SER 83 N -3.76 3.99 -0.21 -1.70 0.01 -1.26 -4.89 113.70 105.89 2jps s SER 83 Ca 0.36 -0.25 0.14 0.00 1.31 0.00 0.00 55.95 57.51 2jps s SER 83 Cb 0.06 -1.12 -0.23 0.00 0.21 0.00 0.00 66.02 64.94 2jps s SER 83 CO 0.19 0.28 0.02 0.00 0.41 0.00 0.00 173.24 174.15 2jps n ALA 84 N 2.76 1.48 -0.27 1.44 0.00 -1.26 -4.42 120.51 120.24 2jps n ALA 84 Ca -0.18 -1.25 0.05 0.00 0.00 0.00 0.00 53.44 52.07 2jps n ALA 84 Cb 0.52 -0.19 0.28 0.00 0.00 0.00 0.00 19.45 20.06 2jps n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jps h GLU 85 N 0.00 0.90 -0.83 0.00 3.07 -1.95 -1.66 114.58 114.11 2jps h GLU 85 Ca -0.55 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.32 2jps h GLU 85 Cb 2.15 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 29.81 2jps h GLU 85 CO 0.00 0.59 0.54 -0.91 -1.40 0.00 0.00 179.01 177.84 2jps h ASN 86 N 0.93 0.82 -0.46 1.42 2.35 -2.02 -1.48 115.58 117.15 2jps h ASN 86 Ca 0.38 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.07 2jps h ASN 86 Cb 0.26 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2jps h ASN 86 CO -0.14 0.54 0.11 0.40 -1.65 0.00 0.00 177.43 176.68 2jps h ILE 87 N 0.94 1.22 -0.68 2.81 2.04 -1.53 -2.57 117.51 119.75 2jps h ILE 87 Ca 0.35 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2jps h ILE 87 Cb 0.17 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jps h ILE 87 CO -0.12 0.31 0.41 0.58 0.00 0.00 0.00 178.15 179.33 2jps h VAL 88 N 0.77 1.19 -0.84 1.67 2.07 -1.22 -2.05 116.25 117.84 2jps h VAL 88 Ca 0.17 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.36 2jps h VAL 88 Cb 0.31 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2jps h VAL 88 CO 0.00 0.19 0.50 -1.28 0.02 0.00 0.00 177.57 177.00 2jps h SER 89 N 0.93 0.74 0.08 0.57 0.87 -1.34 0.47 113.55 115.87 2jps h SER 89 Ca 0.24 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.70 2jps h SER 89 Cb -0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2jps h SER 89 CO -0.05 0.45 -0.48 0.11 -0.53 0.00 0.00 176.83 176.33 2jps h LYS 90 N 0.87 0.47 -0.28 2.24 6.56 -1.43 -2.71 116.57 122.28 2jps h LYS 90 Ca 0.39 -0.27 -0.17 0.00 -1.06 0.00 0.00 60.65 59.54 2jps h LYS 90 Cb 0.28 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2jps h LYS 90 CO -0.22 0.85 -0.50 0.82 -2.06 0.00 0.00 179.45 178.34 2jps h ILE 91 N 0.38 1.29 -0.76 1.86 1.08 -0.50 -1.50 117.51 119.35 2jps h ILE 91 Ca 0.02 -1.70 -0.02 0.00 -0.39 0.00 0.00 64.86 62.77 2jps h ILE 91 Cb 0.98 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2jps h ILE 91 CO 0.09 0.55 0.39 -0.09 -0.69 0.00 0.00 178.15 178.40 2jps h ARG 92 N 0.61 1.06 -0.17 2.37 9.65 -0.04 0.85 114.38 128.72 2jps h ARG 92 Ca 0.02 -0.13 -0.22 0.00 -1.10 0.00 0.00 59.98 58.55 2jps h ARG 92 Cb 1.08 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 2jps h ARG 92 CO 0.11 0.80 -0.75 1.98 2.80 0.00 0.00 179.97 184.91 2jps h MET 93 N 1.06 0.81 -0.21 0.20 4.05 -1.38 -0.54 114.93 118.93 2jps h MET 93 Ca 0.26 -0.64 -0.18 0.00 -0.28 0.00 0.00 59.70 58.87 2jps h MET 93 Cb 0.06 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2jps h MET 93 CO -0.04 1.25 -0.59 0.52 0.23 0.00 0.00 176.91 178.28 2jps h MET 94 N 0.56 0.67 -0.26 0.39 2.86 -0.86 -2.43 114.93 115.86 2jps h MET 94 Ca -0.04 -0.45 -0.16 0.00 -2.06 0.00 0.00 59.70 56.99 2jps h MET 94 Cb 1.38 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 2jps h MET 94 CO 0.16 1.07 -0.47 -0.91 1.06 0.00 0.00 176.91 177.81 2jps h ASN 95 N 0.51 0.75 -0.54 1.22 2.35 0.73 -3.02 115.58 117.57 2jps h ASN 95 Ca -0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 2jps h ASN 95 Cb 1.17 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 2jps h ASN 95 CO 0.12 1.10 0.12 0.00 -1.65 0.00 0.00 177.43 177.12 2jps h ALA 96 N 0.92 1.12 -0.81 -0.83 0.00 -1.04 -2.53 119.26 116.10 2jps h ALA 96 Ca 0.03 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jps h ALA 96 Cb 1.02 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 96 CO 0.10 0.59 0.53 0.37 0.00 0.00 0.00 179.25 180.83 2jps h GLN 97 N 0.88 0.81 -0.80 0.00 4.15 -1.30 0.17 115.11 119.01 2jps h GLN 97 Ca 0.19 -0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.69 2jps h GLN 97 Cb 0.34 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 2jps h GLN 97 CO 0.00 0.54 0.53 1.03 -1.93 0.00 0.00 178.83 179.00 2jps h SER 98 N 0.84 0.54 0.06 -0.69 0.87 -1.43 -2.94 113.55 110.79 2jps h SER 98 Ca 0.36 0.03 -0.38 0.00 -1.23 0.00 0.00 61.79 60.57 2jps h SER 98 Cb 0.31 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 2jps h SER 98 CO -0.13 0.29 -2.25 0.18 -0.53 0.00 0.00 176.83 174.39 2jps n LEU 99 N -4.51 2.80 0.00 2.23 4.32 -0.52 -5.06 117.00 116.26 2jps n LEU 99 Ca 0.15 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 2jps n LEU 99 Cb 0.46 -1.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 2jps n LEU 99 CO 0.31 0.90 0.00 0.61 -1.22 0.00 0.00 177.39 177.99 2jps n GLY 100 N 2.13 0.73 3.58 -0.72 0.00 0.50 -4.37 105.19 107.04 2jps n GLY 100 Ca -0.39 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 2jps n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jps n GLN 101 N 0.00 -1.62 -3.40 1.61 7.27 -1.21 -3.26 117.38 116.76 2jps n GLN 101 Ca 0.00 0.56 -0.15 0.00 0.07 0.00 0.00 57.00 57.48 2jps n GLN 101 Cb 0.00 -4.57 0.02 0.00 2.41 0.00 0.00 30.24 28.10 2jps n GLN 101 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2jps n SER 102 N -2.82 -6.41 -3.85 1.69 7.64 -1.26 -5.02 113.62 103.60 2jps n SER 102 Ca -0.10 -0.57 -0.17 0.00 1.01 0.00 0.00 58.87 59.05 2jps n SER 102 Cb 0.60 -3.95 -0.16 0.00 -1.01 0.00 0.00 64.21 59.69 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 -3.13 0.45 0.11 6.43 1.01 -1.20 -5.05 116.67 115.28 2jps s ASP 103 Ca 0.15 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.36 2jps s ASP 103 Cb -0.04 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2jps s ASP 103 CO 0.81 -0.07 0.00 -0.38 0.21 0.00 0.00 175.17 175.74 2jps n ILE 104 N 3.89 0.95 -0.24 0.77 -0.00 -1.26 -4.59 119.36 118.88 2jps n ILE 104 Ca -0.24 0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 2jps n ILE 104 Cb 0.52 -1.45 0.00 0.00 -0.00 0.00 0.00 39.64 38.71 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55