#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 4.03 -0.27 7.83 0.01 -1.26 -5.07 113.70 118.97 2jps s SER 2 Ca 0.00 -1.00 0.19 0.00 1.31 0.00 0.00 55.95 56.45 2jps s SER 2 Cb 0.00 -0.49 0.50 0.00 0.21 0.00 0.00 66.02 66.24 2jps s SER 2 CO 0.00 -0.16 1.13 0.00 0.41 0.00 0.00 173.24 174.62 2jps n GLN 3 N -0.86 2.18 -0.31 12.44 1.13 -1.26 -4.89 117.38 125.81 2jps n GLN 3 Ca -0.05 -3.67 -0.04 0.00 -1.94 0.00 0.00 57.00 51.30 2jps n GLN 3 Cb 0.62 -1.77 0.08 0.00 0.11 0.00 0.00 30.24 29.28 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 2.51 1.15 -0.88 -1.09 4.57 -1.98 -0.63 114.58 118.23 2jps h GLU 4 Ca -0.02 -0.11 0.10 0.00 -1.18 0.00 0.00 59.36 58.15 2jps h GLU 4 Cb 1.33 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 2jps h GLU 4 CO 0.32 0.82 0.57 -0.56 -1.18 0.00 0.00 179.01 178.98 2jps h GLN 5 N 1.16 0.84 -0.15 1.92 3.07 -2.00 0.90 115.11 120.85 2jps h GLN 5 Ca 0.30 -0.05 -0.21 0.00 0.09 0.00 0.00 58.65 58.78 2jps h GLN 5 Cb -0.02 -0.19 0.01 0.00 0.08 0.00 0.00 27.48 27.35 2jps h GLN 5 CO -0.05 0.56 -0.75 1.88 0.09 0.00 0.00 178.83 180.55 2jps h TYR 6 N 0.87 0.98 -0.93 0.06 -1.99 -1.76 -2.91 116.97 111.29 2jps h TYR 6 Ca 0.41 -0.43 0.03 0.00 2.00 0.00 0.00 58.73 60.74 2jps h TYR 6 Cb 0.40 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.93 2jps h TYR 6 CO -0.00 1.25 0.61 1.15 -0.00 0.00 0.00 178.16 181.16 2jps h THR 7 N 0.51 1.17 -0.58 -2.88 2.02 0.47 0.87 112.91 114.49 2jps h THR 7 Ca -0.04 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 2jps h THR 7 Cb 1.37 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2jps h THR 7 CO 0.15 0.22 0.04 -0.08 0.37 0.00 0.00 175.52 176.22 2jps h GLU 8 N 1.18 0.99 -0.08 6.66 4.81 -0.87 0.54 114.58 127.82 2jps h GLU 8 Ca 0.37 -0.30 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 2jps h GLU 8 Cb -0.02 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.27 2jps h GLU 8 CO -0.11 0.97 -0.78 -0.91 -0.73 0.00 0.00 179.01 177.45 2jps h ASN 9 N 0.88 0.83 -0.38 1.04 4.21 -1.21 -3.12 115.58 117.83 2jps h ASN 9 Ca 0.17 -0.68 -0.08 0.00 1.21 0.00 0.00 56.30 56.92 2jps h ASN 9 Cb 0.50 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 2jps h ASN 9 CO 0.02 1.38 -0.04 0.25 -1.29 0.00 0.00 177.43 177.76 2jps h LEU 10 N 0.34 0.76 -1.71 1.61 5.85 0.89 -2.45 115.31 120.61 2jps h LEU 10 Ca -0.07 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2jps h LEU 10 Cb 1.43 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2jps h LEU 10 CO 0.16 0.85 0.28 0.50 -0.34 0.00 0.00 178.44 179.89 2jps h LYS 11 N 0.73 0.36 -0.10 1.25 3.64 0.12 0.32 116.57 122.89 2jps h LYS 11 Ca 0.14 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2jps h LYS 11 Cb 0.49 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2jps h LYS 11 CO 0.03 0.24 -0.47 0.28 -2.27 0.00 0.00 179.45 177.25 2jps h VAL 12 N 0.37 1.38 -0.30 2.00 2.07 -1.39 -1.79 116.25 118.59 2jps h VAL 12 Ca 0.18 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 65.77 2jps h VAL 12 Cb 0.24 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2jps h VAL 12 CO -0.04 0.54 -0.28 0.40 0.02 0.00 0.00 177.57 178.20 2jps h ILE 13 N 0.08 1.28 -0.55 4.57 2.04 -1.15 -2.10 117.51 121.68 2jps h ILE 13 Ca -0.03 -1.38 -0.12 0.00 1.00 0.00 0.00 64.86 64.33 2jps h ILE 13 Cb 1.12 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2jps h ILE 13 CO 0.10 0.45 -0.11 0.58 0.00 0.00 0.00 178.15 179.17 2jps h VAL 14 N 0.53 1.27 -0.17 1.67 2.07 -0.39 -2.84 116.25 118.39 2jps h VAL 14 Ca 0.07 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 2jps h VAL 14 Cb 0.76 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2jps h VAL 14 CO 0.06 0.45 -0.26 0.00 0.02 0.00 0.00 177.57 177.84 2jps h ALA 15 N 0.93 1.25 -0.89 1.67 0.00 -1.13 -2.84 119.26 118.24 2jps h ALA 15 Ca 0.14 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 54.92 2jps h ALA 15 Cb 0.68 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2jps h ALA 15 CO 0.05 0.50 0.58 1.49 0.00 0.00 0.00 179.25 181.87 2jps h GLU 16 N 0.28 0.49 0.07 0.00 4.81 -1.12 0.45 114.58 119.55 2jps h GLU 16 Ca 0.04 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2jps h GLU 16 Cb 0.62 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2jps h GLU 16 CO 0.04 0.32 -0.82 0.87 -0.73 0.00 0.00 179.01 178.70 2jps h LYS 17 N 0.50 0.14 -0.22 1.92 1.79 -1.58 -2.83 116.57 116.29 2jps h LYS 17 Ca 0.46 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2jps h LYS 17 Cb 1.01 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2jps h LYS 17 CO -0.20 1.12 0.13 -0.07 -1.08 0.00 0.00 179.45 179.35 2jps h LEU 18 N -0.65 0.28 -1.54 2.94 3.38 -1.26 0.22 115.31 118.68 2jps h LEU 18 Ca -0.18 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2jps h LEU 18 Cb 1.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2jps h LEU 18 CO 0.02 0.27 -0.18 0.00 0.09 0.00 0.00 178.44 178.63 2jps h ALA 19 N 1.02 1.62 0.14 1.53 0.00 -0.28 -2.87 119.26 120.42 2jps h ALA 19 Ca 0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2jps h ALA 19 Cb 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jps h ALA 19 CO -0.01 0.28 -1.28 0.78 0.00 0.00 0.00 179.25 179.02 2jps h GLY 20 N 0.65 0.33 -4.28 0.00 0.00 -1.14 -3.46 103.07 95.16 2jps h GLY 20 Ca 0.01 -0.85 -0.60 0.00 0.00 0.00 0.00 47.33 45.89 2jps h GLY 20 CO 0.02 0.75 0.12 1.39 0.00 0.00 0.00 176.54 178.82 2jps n ILE 21 N -3.54 2.07 -2.07 2.60 5.41 0.71 -4.95 119.36 119.60 2jps n ILE 21 Ca -0.10 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.84 2jps n ILE 21 Cb 1.03 -1.03 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2jps n ILE 21 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jps s PRO 22 N -1.67 3.55 -1.54 0.38 0.04 -1.26 -3.62 135.00 130.89 2jps s PRO 22 Ca 0.60 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2jps s PRO 22 Cb -0.66 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2jps s PRO 22 CO 0.59 -0.60 0.00 -1.71 0.04 0.00 0.00 177.00 175.32 2jps n ASN 23 N -2.18 -4.64 -3.52 6.66 5.15 -1.26 -4.90 115.26 110.56 2jps n ASN 23 Ca 0.07 0.22 -0.27 0.00 -0.60 0.00 0.00 54.58 54.00 2jps n ASN 23 Cb 0.54 -4.02 -0.09 0.00 -0.53 0.00 0.00 39.78 35.68 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jps n PHE 24 N -3.05 3.53 -1.86 1.20 -0.00 -1.24 -4.88 117.46 111.17 2jps n PHE 24 Ca -0.18 -4.18 -0.22 0.00 -0.00 0.00 0.00 57.45 52.86 2jps n PHE 24 Cb 0.60 -0.57 0.05 0.00 -0.00 0.00 0.00 39.48 39.57 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 1.08 4.95 -3.83 -2.13 3.02 -1.26 -4.79 115.26 112.29 2jps n ASN 25 Ca 0.28 -3.77 -0.21 0.00 -0.03 0.00 0.00 54.58 50.85 2jps n ASN 25 Cb 0.40 -0.46 -0.17 0.00 -0.61 0.00 0.00 39.78 38.94 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 -3.59 0.70 -1.26 3.52 8.01 -1.26 -4.82 118.70 120.00 2jps s GLU 26 Ca 0.52 0.00 -0.09 0.00 0.01 0.00 0.00 54.97 55.41 2jps s GLU 26 Cb 0.42 -0.88 0.07 0.00 -4.31 0.00 0.00 34.13 29.42 2jps s GLU 26 CO 0.02 -0.19 0.45 -0.25 0.01 0.00 0.00 175.26 175.30 2jps n ASP 27 N 4.56 -3.71 -0.02 -0.19 9.92 -1.26 -4.83 116.55 121.03 2jps n ASP 27 Ca -0.17 -0.34 -0.04 0.00 -0.53 0.00 0.00 54.79 53.71 2jps n ASP 27 Cb 0.50 -3.08 0.19 0.00 -0.64 0.00 0.00 41.12 38.10 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 -0.89 1.25 0.18 0.53 -0.00 -1.87 0.71 117.51 117.42 2jps h ILE 28 Ca -0.42 -1.19 -0.31 0.00 -0.00 0.00 0.00 64.86 62.95 2jps h ILE 28 Cb 1.28 1.22 0.02 0.00 -0.00 0.00 0.00 36.82 39.34 2jps h ILE 28 CO 0.51 0.39 -1.42 0.50 -0.00 0.00 0.00 178.15 178.14 2jps h LYS 29 N 0.51 0.39 -0.01 2.19 3.64 -1.98 -2.93 116.57 118.37 2jps h LYS 29 Ca 0.08 -0.66 -0.16 0.00 -1.27 0.00 0.00 60.65 58.64 2jps h LYS 29 Cb 0.61 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2jps h LYS 29 CO 0.04 1.31 -0.71 1.88 -2.27 0.00 0.00 179.45 179.70 2jps h TYR 30 N 0.11 0.12 -0.20 1.91 0.05 -1.90 -2.96 116.97 114.09 2jps h TYR 30 Ca -0.21 -0.06 -0.17 0.00 0.05 0.00 0.00 58.73 58.34 2jps h TYR 30 Cb 2.07 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.79 2jps h TYR 30 CO 0.09 0.77 -0.57 -0.24 -1.05 0.00 0.00 178.16 177.16 2jps h VAL 31 N 0.06 1.31 -0.55 -2.88 3.04 0.37 -2.98 116.25 114.62 2jps h VAL 31 Ca -0.01 -1.81 -0.09 0.00 -1.01 0.00 0.00 66.70 63.78 2jps h VAL 31 Cb 1.25 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.28 2jps h VAL 31 CO 0.10 0.57 -0.01 0.00 -1.01 0.00 0.00 177.57 177.22 2jps h ALA 32 N 0.89 0.96 -0.65 3.17 0.00 -1.50 -1.43 119.26 120.69 2jps h ALA 32 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 32 Cb 1.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jps h ALA 32 CO 0.11 0.63 0.42 0.93 0.00 0.00 0.00 179.25 181.34 2jps h GLU 33 N 0.87 0.87 -0.53 0.00 5.08 -1.45 -0.32 114.58 119.10 2jps h GLU 33 Ca 0.16 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2jps h GLU 33 Cb 0.52 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jps h GLU 33 CO 0.03 0.59 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.70 2jps h TYR 34 N 0.89 1.02 -0.75 4.33 3.20 -1.35 -0.24 116.97 124.07 2jps h TYR 34 Ca 0.24 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2jps h TYR 34 Cb -0.08 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 37.87 2jps h TYR 34 CO -0.02 0.94 0.46 0.82 -1.64 0.00 0.00 178.16 178.72 2jps h ILE 35 N 0.81 1.06 -0.48 1.81 2.04 -0.67 0.29 117.51 122.37 2jps h ILE 35 Ca 0.15 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2jps h ILE 35 Cb 0.53 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2jps h ILE 35 CO 0.03 0.16 -0.02 0.58 0.00 0.00 0.00 178.15 178.89 2jps h VAL 36 N 0.88 1.27 -0.70 1.67 2.07 -0.77 -0.58 116.25 120.08 2jps h VAL 36 Ca 0.32 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.74 2jps h VAL 36 Cb 0.09 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2jps h VAL 36 CO -0.14 0.39 0.46 0.25 0.02 0.00 0.00 177.57 178.54 2jps h LEU 37 N 0.72 0.77 -0.54 2.57 5.85 0.06 0.42 115.31 125.16 2jps h LEU 37 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2jps h LEU 37 Cb 0.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2jps h LEU 37 CO 0.03 0.55 0.28 -0.07 -0.34 0.00 0.00 178.44 178.89 2jps h LEU 38 N 0.92 0.69 -0.13 2.25 3.38 -0.18 0.38 115.31 122.62 2jps h LEU 38 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jps h LEU 38 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2jps h LEU 38 CO -0.08 0.61 0.08 0.40 0.09 0.00 0.00 178.44 179.54 2jps h ILE 39 N 0.73 1.06 -0.44 1.22 1.08 -0.14 -2.07 117.51 118.95 2jps h ILE 39 Ca 0.19 -0.15 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 2jps h ILE 39 Cb 0.09 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 2jps h ILE 39 CO -0.03 0.06 0.11 0.58 -0.69 0.00 0.00 178.15 178.19 2jps h VAL 40 N 0.15 1.19 -0.80 1.67 2.07 0.17 -2.49 116.25 118.21 2jps h VAL 40 Ca 0.05 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2jps h VAL 40 Cb 0.02 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2jps h VAL 40 CO -0.01 0.25 0.53 0.78 0.02 0.00 0.00 177.57 179.14 2jps h ASN 41 N 0.63 0.85 0.00 0.57 2.35 0.44 -3.45 115.58 116.97 2jps h ASN 41 Ca 0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jps h ASN 41 Cb 0.22 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jps h ASN 41 CO -0.00 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 176.97 2jps n GLY 42 N -1.42 -1.69 0.00 2.83 0.00 -0.94 -5.08 105.19 98.89 2jps n GLY 42 Ca 0.10 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.31 0.63 3.03 -0.02 0.00 -1.17 -4.97 105.19 101.37 2jps n GLY 43 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.56 2.12 0.47 2.61 -4.23 -1.26 -4.99 115.64 109.80 2jps s THR 44 Ca 0.00 -1.87 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 2jps s THR 44 Cb 0.00 -2.38 0.44 0.00 1.34 0.00 0.00 72.50 71.90 2jps s THR 44 CO 0.00 -0.28 1.84 0.58 -0.54 0.00 0.00 174.62 176.22 2jps h VAL 45 N 6.69 0.57 0.37 2.29 2.07 -1.96 0.91 116.25 127.19 2jps h VAL 45 Ca -0.13 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 45 Cb 1.03 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jps h VAL 45 CO 0.48 0.04 -0.18 -0.08 0.02 0.00 0.00 177.57 177.85 2jps h GLU 46 N 0.22 -0.48 -0.19 1.57 4.57 -1.97 0.60 114.58 118.89 2jps h GLU 46 Ca 0.50 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.63 2jps h GLU 46 Cb 1.57 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.25 2jps h GLU 46 CO -0.13 -0.19 -0.23 1.03 -1.18 0.00 0.00 179.01 178.31 2jps h SER 47 N -1.00 0.34 -0.13 1.04 0.87 -1.84 0.38 113.55 113.21 2jps h SER 47 Ca -0.05 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2jps h SER 47 Cb 0.52 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2jps h SER 47 CO 0.08 0.58 -0.24 0.58 -0.53 0.00 0.00 176.83 177.30 2jps h VAL 48 N 0.32 1.37 -0.24 2.23 2.07 0.83 -2.55 116.25 120.28 2jps h VAL 48 Ca 0.05 -1.51 -0.16 0.00 0.82 0.00 0.00 66.70 65.90 2jps h VAL 48 Cb 0.58 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2jps h VAL 48 CO 0.04 0.44 -0.50 0.58 0.02 0.00 0.00 177.57 178.15 2jps h VAL 49 N -0.02 1.30 -0.26 2.57 2.07 0.37 -2.84 116.25 119.43 2jps h VAL 49 Ca 0.01 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.85 2jps h VAL 49 Cb 0.83 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2jps h VAL 49 CO 0.05 0.55 0.18 0.44 0.02 0.00 0.00 177.57 178.81 2jps h ASP 50 N 0.52 0.14 -0.16 0.57 3.32 -0.23 0.25 116.42 120.84 2jps h ASP 50 Ca 0.02 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 2jps h ASP 50 Cb 1.06 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.59 2jps h ASP 50 CO 0.10 0.10 -0.69 -0.33 -1.72 0.00 0.00 179.24 176.70 2jps h GLU 51 N 0.16 0.74 -0.08 3.56 4.39 -1.21 -1.62 114.58 120.52 2jps h GLU 51 Ca 0.11 -0.59 -0.15 0.00 0.34 0.00 0.00 59.36 59.07 2jps h GLU 51 Cb 0.24 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2jps h GLU 51 CO -0.02 1.20 -0.62 -0.07 -1.16 0.00 0.00 179.01 178.35 2jps h LEU 52 N 0.46 0.35 -0.49 1.33 -0.00 -1.31 -3.01 115.31 112.63 2jps h LEU 52 Ca -0.04 -0.20 -0.16 0.00 -0.00 0.00 0.00 57.88 57.47 2jps h LEU 52 Cb 1.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2jps h LEU 52 CO 0.14 0.88 -0.49 0.00 -0.00 0.00 0.00 178.44 178.98 2jps h ALA 53 N 1.12 0.67 -0.53 1.53 0.00 -0.96 1.07 119.26 122.16 2jps h ALA 53 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2jps h ALA 53 Cb 1.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jps h ALA 53 CO 0.10 0.68 0.24 0.77 0.00 0.00 0.00 179.25 181.04 2jps h SER 54 N 0.54 0.67 0.05 0.00 0.02 -1.22 -2.64 113.55 110.97 2jps h SER 54 Ca 0.03 -0.07 -0.38 0.00 -0.84 0.00 0.00 61.79 60.53 2jps h SER 54 Cb 1.04 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2jps h SER 54 CO 0.10 0.58 -2.26 0.18 -1.14 0.00 0.00 176.83 174.29 2jps n LEU 55 N -4.37 2.78 -3.91 5.07 4.77 -1.14 -4.63 117.00 115.57 2jps n LEU 55 Ca 0.04 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 2jps n LEU 55 Cb 0.13 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 2jps n LEU 55 CO 0.38 0.88 0.48 0.49 -1.33 0.00 0.00 177.39 178.28 2jps n PHE 56 N -3.42 3.62 -1.18 -1.77 3.72 0.37 -4.86 117.46 113.95 2jps n PHE 56 Ca -0.40 -3.76 -0.17 0.00 -0.05 0.00 0.00 57.45 53.07 2jps n PHE 56 Cb 1.00 -1.02 0.23 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 1.69 4.08 -0.08 4.37 2.03 -1.00 -4.33 116.55 123.31 2jps n ASP 57 Ca 0.25 -3.48 -0.18 0.00 0.52 0.00 0.00 54.79 51.90 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.80 1.74 -4.89 1.67 7.64 -1.26 -4.95 113.62 112.77 2jps n SER 58 Ca 0.52 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.13 2jps n SER 58 Cb 1.55 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.35 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 -2.53 4.86 0.37 0.44 0.11 -1.26 -5.01 120.40 117.37 2jps s VAL 59 Ca -0.26 0.42 -0.26 0.00 -2.93 0.00 0.00 61.98 58.95 2jps s VAL 59 Cb 0.08 -3.76 -0.12 0.00 -1.53 0.00 0.00 36.38 31.05 2jps s VAL 59 CO 0.69 -0.56 1.08 -1.20 -3.33 0.00 0.00 175.10 171.78 2jps n SER 60 N -1.46 1.64 -0.22 3.54 7.64 -1.26 -4.84 113.62 118.67 2jps n SER 60 Ca 0.01 1.11 0.19 0.00 1.01 0.00 0.00 58.87 61.19 2jps n SER 60 Cb 0.54 -1.37 0.52 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.89 0.38 -0.80 1.43 3.08 -1.95 -0.46 114.38 117.94 2jps h ARG 61 Ca -0.44 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.68 2jps h ARG 61 Cb 1.32 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 2jps h ARG 61 CO 0.59 0.25 0.53 0.22 -1.07 0.00 0.00 179.97 180.49 2jps h ASP 62 N 0.39 0.70 -0.47 7.04 1.82 -1.99 0.65 116.42 124.56 2jps h ASP 62 Ca 0.44 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 57.02 2jps h ASP 62 Cb 1.11 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2jps h ASP 62 CO -0.15 0.42 0.00 0.74 -1.61 0.00 0.00 179.24 178.64 2jps h THR 63 N 0.78 1.26 -0.30 2.25 2.02 -1.41 -0.71 112.91 116.80 2jps h THR 63 Ca 0.37 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 2jps h THR 63 Cb 0.39 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2jps h THR 63 CO -0.14 0.37 -0.14 -0.07 0.37 0.00 0.00 175.52 175.90 2jps h LEU 64 N 0.68 0.64 -1.43 2.58 4.07 -1.33 -2.87 115.31 117.65 2jps h LEU 64 Ca 0.13 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2jps h LEU 64 Cb 0.50 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2jps h LEU 64 CO 0.02 0.91 0.35 0.00 -1.08 0.00 0.00 178.44 178.64 2jps h ALA 65 N 0.76 1.58 -0.98 1.53 0.00 -0.79 -2.11 119.26 119.25 2jps h ALA 65 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jps h ALA 65 Cb 0.67 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2jps h ALA 65 CO 0.04 0.38 0.65 -0.97 0.00 0.00 0.00 179.25 179.35 2jps h ASN 66 N 0.75 1.11 -0.06 0.00 -0.73 -0.90 0.38 115.58 116.14 2jps h ASN 66 Ca 0.20 -0.02 -0.18 0.00 1.87 0.00 0.00 56.30 58.17 2jps h ASN 66 Cb -0.06 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.26 2jps h ASN 66 CO -0.04 0.79 -0.59 0.58 -0.37 0.00 0.00 177.43 177.80 2jps h VAL 67 N 1.30 1.31 -0.34 2.57 2.07 -1.33 -2.31 116.25 119.52 2jps h VAL 67 Ca 0.37 -1.82 -0.15 0.00 0.82 0.00 0.00 66.70 65.91 2jps h VAL 67 Cb -0.10 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jps h VAL 67 CO -0.09 0.57 -0.41 0.58 0.02 0.00 0.00 177.57 178.25 2jps h VAL 68 N 0.49 1.28 -0.62 2.57 2.07 -0.97 -2.96 116.25 118.11 2jps h VAL 68 Ca 0.00 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2jps h VAL 68 Cb 1.16 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2jps h VAL 68 CO 0.12 0.52 0.31 1.56 0.02 0.00 0.00 177.57 180.09 2jps h GLN 69 N 0.67 0.89 0.00 1.57 4.20 -0.17 -2.34 115.11 119.93 2jps h GLN 69 Ca 0.05 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 2jps h GLN 69 Cb 0.98 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2jps h GLN 69 CO 0.09 0.70 -0.20 0.00 -0.67 0.00 0.00 178.83 178.76 2jps h THR 70 N 0.85 1.04 -0.50 -0.54 1.03 -1.37 -2.40 112.91 111.02 2jps h THR 70 Ca 0.21 -0.70 -0.12 0.00 -0.01 0.00 0.00 66.41 65.79 2jps h THR 70 Cb 0.10 1.39 -0.02 0.00 -1.07 0.00 0.00 68.15 68.56 2jps h THR 70 CO -0.03 0.19 -0.17 0.00 -0.01 0.00 0.00 175.52 175.51 2jps h ALA 71 N 1.80 0.74 0.15 0.00 0.00 -1.26 -0.45 119.26 120.25 2jps h ALA 71 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jps h ALA 71 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jps h ALA 71 CO 0.03 0.67 -0.07 0.74 0.00 0.00 0.00 179.25 180.61 2jps h PHE 72 N 0.87 -0.19 -0.85 0.00 0.04 -1.23 -1.54 116.94 114.04 2jps h PHE 72 Ca 0.12 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.92 2jps h PHE 72 Cb 0.74 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.90 2jps h PHE 72 CO 0.05 0.03 0.56 0.74 -0.60 0.00 0.00 178.31 179.09 2jps h PHE 73 N -0.37 1.02 -0.72 -0.55 0.04 -1.43 -1.87 116.94 113.06 2jps h PHE 73 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2jps h PHE 73 Cb 0.30 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 2jps h PHE 73 CO -0.01 0.59 0.43 0.00 -0.60 0.00 0.00 178.31 178.72 2jps h ALA 74 N 1.50 0.92 -0.91 2.45 0.00 -0.77 -0.95 119.26 121.50 2jps h ALA 74 Ca 0.34 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2jps h ALA 74 Cb 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2jps h ALA 74 CO -0.10 0.40 0.58 -0.07 0.00 0.00 0.00 179.25 180.06 2jps h LEU 75 N 0.99 0.95 -0.35 0.00 3.38 -0.44 0.79 115.31 120.62 2jps h LEU 75 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 2jps h LEU 75 Cb -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jps h LEU 75 CO -0.05 0.63 -0.42 -0.08 0.09 0.00 0.00 178.44 178.61 2jps h GLU 76 N 1.09 0.91 -0.29 1.13 4.22 -1.21 -1.32 114.58 119.11 2jps h GLU 76 Ca 0.38 -0.50 -0.17 0.00 0.08 0.00 0.00 59.36 59.15 2jps h GLU 76 Cb 0.09 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2jps h GLU 76 CO -0.15 1.15 -0.48 0.00 -2.18 0.00 0.00 179.01 177.35 2jps h ALA 77 N 0.74 0.59 -0.57 2.92 0.00 -0.49 -3.04 119.26 119.42 2jps h ALA 77 Ca 0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2jps h ALA 77 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2jps h ALA 77 CO 0.10 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 180.01 2jps h LEU 78 N 0.63 0.91 -1.85 0.00 3.38 0.64 -1.63 115.31 117.40 2jps h LEU 78 Ca 0.03 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2jps h LEU 78 Cb 1.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2jps h LEU 78 CO 0.10 0.94 0.24 1.56 0.09 0.00 0.00 178.44 181.38 2jps h GLN 79 N 0.89 0.18 0.17 1.13 4.20 -1.12 -2.68 115.11 117.87 2jps h GLN 79 Ca 0.17 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.52 2jps h GLN 79 Cb 0.45 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2jps h GLN 79 CO 0.02 0.12 -1.79 1.96 -0.67 0.00 0.00 178.83 178.46 2jps h GLN 80 N 0.18 0.37 0.00 1.46 7.50 -1.40 -3.49 115.11 119.73 2jps h GLN 80 Ca 0.16 -0.63 0.00 0.00 0.50 0.00 0.00 58.65 58.68 2jps h GLN 80 Cb 0.40 0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.16 2jps h GLN 80 CO -0.03 1.29 0.00 0.41 -1.50 0.00 0.00 178.83 179.01 2jps n GLY 81 N 1.88 0.26 3.64 3.46 0.00 -0.66 -5.14 105.19 108.64 2jps n GLY 81 Ca -0.26 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2jps n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jps s GLU 82 N 0.00 2.00 -0.07 1.61 0.41 -1.19 -4.97 118.70 116.49 2jps s GLU 82 Ca 0.00 -2.14 0.03 0.00 -0.41 0.00 0.00 54.97 52.45 2jps s GLU 82 Cb 0.00 -1.63 -0.02 0.00 -1.78 0.00 0.00 34.13 30.70 2jps s GLU 82 CO 0.00 -0.09 -0.16 -1.12 -0.49 0.00 0.00 175.26 173.39 2jps s SER 83 N -3.74 3.82 -0.20 -0.19 0.01 -1.26 -4.92 113.70 107.22 2jps s SER 83 Ca 0.31 -0.30 0.13 0.00 1.31 0.00 0.00 55.95 57.40 2jps s SER 83 Cb 0.09 -1.03 -0.23 0.00 0.21 0.00 0.00 66.02 65.06 2jps s SER 83 CO 0.16 0.28 0.06 0.00 0.41 0.00 0.00 173.24 174.15 2jps n ALA 84 N 2.75 1.46 -0.29 1.44 0.00 -1.26 -4.39 120.51 120.22 2jps n ALA 84 Ca -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 53.44 52.15 2jps n ALA 84 Cb 0.52 -0.24 0.32 0.00 0.00 0.00 0.00 19.45 20.05 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 0.81 -0.81 0.00 5.08 -1.95 -0.97 114.58 116.75 2jps h GLU 85 Ca -0.53 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2jps h GLU 85 Cb 2.13 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 31.15 2jps h GLU 85 CO 0.01 0.54 0.53 -0.91 -1.00 0.00 0.00 179.01 178.17 2jps h ASN 86 N 0.84 0.77 -0.60 1.42 2.35 -2.02 -1.42 115.58 116.92 2jps h ASN 86 Ca 0.43 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.13 2jps h ASN 86 Cb 0.50 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2jps h ASN 86 CO -0.19 0.49 0.19 0.40 -1.65 0.00 0.00 177.43 176.67 2jps h ILE 87 N 0.87 1.24 -0.73 2.81 2.04 -1.40 -2.54 117.51 119.80 2jps h ILE 87 Ca 0.35 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.40 2jps h ILE 87 Cb 0.25 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2jps h ILE 87 CO -0.12 0.32 0.48 0.58 0.00 0.00 0.00 178.15 179.41 2jps h VAL 88 N 0.94 1.14 -0.85 1.67 2.07 -1.21 -1.79 116.25 118.23 2jps h VAL 88 Ca 0.21 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2jps h VAL 88 Cb 0.28 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2jps h VAL 88 CO -0.01 0.17 0.50 -1.28 0.02 0.00 0.00 177.57 176.98 2jps h SER 89 N 0.93 0.74 -0.00 0.57 0.87 -1.33 0.73 113.55 116.05 2jps h SER 89 Ca 0.28 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 2jps h SER 89 Cb -0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2jps h SER 89 CO -0.07 0.43 -0.49 0.11 -0.53 0.00 0.00 176.83 176.28 2jps h LYS 90 N 0.86 0.56 -0.28 2.24 1.79 -1.39 -2.60 116.57 117.75 2jps h LYS 90 Ca 0.40 -0.33 -0.18 0.00 -2.18 0.00 0.00 60.65 58.37 2jps h LYS 90 Cb 0.33 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2jps h LYS 90 CO -0.23 0.93 -0.52 0.82 -1.08 0.00 0.00 179.45 179.36 2jps h ILE 91 N 0.45 1.28 -0.73 1.86 1.08 -0.45 -1.84 117.51 119.15 2jps h ILE 91 Ca 0.02 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 2jps h ILE 91 Cb 1.02 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 2jps h ILE 91 CO 0.09 0.56 0.40 0.03 -0.69 0.00 0.00 178.15 178.54 2jps h ARG 92 N 0.63 1.02 -0.18 2.37 2.47 0.49 0.84 114.38 122.01 2jps h ARG 92 Ca 0.02 -0.11 -0.21 0.00 -1.26 0.00 0.00 59.98 58.41 2jps h ARG 92 Cb 1.11 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2jps h ARG 92 CO 0.11 0.75 -0.73 0.52 0.56 0.00 0.00 179.97 181.19 2jps h MET 93 N 1.02 0.80 -0.13 0.04 2.86 -1.36 0.19 114.93 118.35 2jps h MET 93 Ca 0.26 -0.62 -0.19 0.00 -2.06 0.00 0.00 59.70 57.09 2jps h MET 93 Cb 0.03 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2jps h MET 93 CO -0.04 1.23 -0.71 1.98 1.06 0.00 0.00 176.91 180.43 2jps h MET 94 N 0.56 0.59 -0.11 1.72 1.85 -0.91 -1.41 114.93 117.23 2jps h MET 94 Ca -0.04 -0.46 -0.18 0.00 -0.61 0.00 0.00 59.70 58.42 2jps h MET 94 Cb 1.35 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.46 2jps h MET 94 CO 0.15 1.08 -0.67 -0.91 -0.40 0.00 0.00 176.91 176.16 2jps h ASN 95 N 0.42 0.52 -0.00 1.39 2.35 0.69 -1.54 115.58 119.41 2jps h ASN 95 Ca -0.03 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.22 2jps h ASN 95 Cb 1.30 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 2jps h ASN 95 CO 0.13 1.05 -0.63 0.00 -1.65 0.00 0.00 177.43 176.33 2jps h ALA 96 N 0.95 0.56 -0.26 -0.83 0.00 -0.93 -2.57 119.26 116.19 2jps h ALA 96 Ca -0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 2jps h ALA 96 Cb 1.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jps h ALA 96 CO 0.12 0.70 -0.52 0.37 0.00 0.00 0.00 179.25 179.92 2jps h GLN 97 N 0.45 0.74 -0.26 0.00 4.15 -1.23 0.84 115.11 119.81 2jps h GLN 97 Ca -0.01 -0.45 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 2jps h GLN 97 Cb 1.21 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2jps h GLN 97 CO 0.12 1.07 -0.11 0.77 -1.93 0.00 0.00 178.83 178.76 2jps h SER 98 N 0.57 0.41 0.11 -0.69 0.02 -1.25 -3.24 113.55 109.50 2jps h SER 98 Ca 0.02 -0.10 -0.37 0.00 -0.84 0.00 0.00 61.79 60.51 2jps h SER 98 Cb 1.09 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 2jps h SER 98 CO 0.11 0.56 -2.18 -0.11 -1.14 0.00 0.00 176.83 174.07 2jps n LEU 99 N -4.23 2.22 0.00 5.07 0.00 -0.97 -5.06 117.00 114.03 2jps n LEU 99 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.10 2jps n LEU 99 Cb 0.30 -0.69 0.00 0.00 0.00 0.00 0.00 43.42 43.03 2jps n LEU 99 CO 0.39 0.78 0.00 0.61 0.00 0.00 0.00 177.39 179.18 2jps n GLY 100 N 2.00 3.25 2.85 -3.96 0.00 0.29 -5.09 105.19 104.53 2jps n GLY 100 Ca -0.35 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.15 1.94 -1.05 1.61 0.74 -0.89 -4.82 119.66 116.04 2jps s GLN 101 Ca 0.00 -2.72 -0.14 0.00 0.05 0.00 0.00 55.36 52.55 2jps s GLN 101 Cb 0.00 -3.04 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 2jps s GLN 101 CO 0.00 -1.20 0.80 0.43 -0.55 0.00 0.00 175.29 174.78 2jps n SER 102 N 2.78 -5.89 -4.14 6.67 7.64 -1.26 -4.98 113.62 114.45 2jps n SER 102 Ca 0.12 -0.84 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 2jps n SER 102 Cb 0.35 -3.90 -0.15 0.00 -1.01 0.00 0.00 64.21 59.49 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 4.10 0.19 6.43 1.01 -1.26 -5.11 116.67 118.67 2jps s ASP 103 Ca 0.39 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.62 2jps s ASP 103 Cb -0.12 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2jps s ASP 103 CO 0.82 -0.12 0.14 0.27 0.21 0.00 0.00 175.17 176.49 2jps s ILE 104 N 1.24 0.02 0.00 0.77 -4.36 -1.26 -5.17 121.20 112.43 2jps s ILE 104 Ca -0.02 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 2jps s ILE 104 Cb -0.17 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.13 2jps s ILE 104 CO -0.07 -0.07 0.30 0.00 0.24 0.00 0.00 174.94 175.34