#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 4.77 -0.73 6.12 0.01 -1.26 -5.01 113.70 117.60 2jps s SER 2 Ca 0.00 -2.56 0.04 0.00 1.31 0.00 0.00 55.95 54.73 2jps s SER 2 Cb 0.00 -1.71 0.22 0.00 0.21 0.00 0.00 66.02 64.75 2jps s SER 2 CO 0.00 -0.35 0.73 0.00 0.41 0.00 0.00 173.24 174.03 2jps n GLN 3 N 3.77 2.47 -0.07 12.44 1.13 -1.26 -4.85 117.38 131.01 2jps n GLN 3 Ca 0.04 -4.58 -0.18 0.00 -1.94 0.00 0.00 57.00 50.34 2jps n GLN 3 Cb 0.38 -2.31 -0.13 0.00 0.11 0.00 0.00 30.24 28.28 2jps n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jps n GLU 4 N 1.45 0.69 -0.28 -1.09 1.02 -1.26 -3.47 120.64 117.70 2jps n GLU 4 Ca 0.25 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.68 2jps n GLU 4 Cb 0.38 -1.60 0.36 0.00 -0.02 0.00 0.00 31.44 30.55 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2jps h GLN 5 N 0.02 0.71 -0.05 3.49 3.07 -1.99 0.54 115.11 120.91 2jps h GLN 5 Ca -0.50 -0.04 -0.24 0.00 0.09 0.00 0.00 58.65 57.95 2jps h GLN 5 Cb 1.99 -0.16 0.02 0.00 0.08 0.00 0.00 27.48 29.41 2jps h GLN 5 CO -0.00 0.47 -0.92 1.88 0.09 0.00 0.00 178.83 180.35 2jps h TYR 6 N 0.74 1.03 -0.85 0.06 -1.99 -1.97 -2.45 116.97 111.53 2jps h TYR 6 Ca 0.45 -0.52 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2jps h TYR 6 Cb 0.67 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 2jps h TYR 6 CO -0.00 1.36 0.51 1.15 -0.00 0.00 0.00 178.16 181.17 2jps h THR 7 N 0.41 1.24 -0.46 -2.88 2.02 -1.02 0.80 112.91 113.01 2jps h THR 7 Ca -0.10 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 2jps h THR 7 Cb 1.57 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2jps h THR 7 CO 0.18 0.25 -0.05 -0.33 0.37 0.00 0.00 175.52 175.94 2jps h GLU 8 N 1.16 0.84 -0.29 6.66 5.08 -0.01 0.89 114.58 128.92 2jps h GLU 8 Ca 0.30 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 2jps h GLU 8 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2jps h GLU 8 CO -0.06 0.92 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.55 2jps h ASN 9 N 0.69 0.87 -0.85 1.42 4.21 -1.00 -3.05 115.58 117.87 2jps h ASN 9 Ca 0.12 -0.50 -0.03 0.00 1.21 0.00 0.00 56.30 57.10 2jps h ASN 9 Cb 0.57 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 2jps h ASN 9 CO 0.03 1.20 0.43 -0.07 -1.29 0.00 0.00 177.43 177.74 2jps h LEU 10 N 0.56 1.10 -1.86 1.61 3.38 0.75 -2.09 115.31 118.77 2jps h LEU 10 Ca 0.03 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.95 2jps h LEU 10 Cb 1.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2jps h LEU 10 CO 0.10 0.92 0.25 0.50 0.09 0.00 0.00 178.44 180.29 2jps h LYS 11 N 1.21 0.16 -0.02 1.13 3.64 -0.71 0.46 116.57 122.45 2jps h LYS 11 Ca 0.30 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2jps h LYS 11 Cb 0.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jps h LYS 11 CO -0.04 0.11 -0.16 0.28 -2.27 0.00 0.00 179.45 177.37 2jps h VAL 12 N 0.17 1.53 -0.28 2.00 2.07 -1.33 -0.59 116.25 119.81 2jps h VAL 12 Ca 0.17 -1.77 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 2jps h VAL 12 Cb 0.44 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2jps h VAL 12 CO -0.02 0.48 -0.20 0.40 0.02 0.00 0.00 177.57 178.25 2jps h ILE 13 N -0.51 1.25 -0.28 4.57 2.04 -1.17 0.20 117.51 123.62 2jps h ILE 13 Ca -0.02 -1.19 -0.19 0.00 1.00 0.00 0.00 64.86 64.47 2jps h ILE 13 Cb 0.87 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2jps h ILE 13 CO 0.03 0.38 -0.55 0.58 0.00 0.00 0.00 178.15 178.59 2jps h VAL 14 N 0.47 1.28 -0.13 1.67 2.07 -0.13 -3.15 116.25 118.32 2jps h VAL 14 Ca 0.08 -1.74 -0.16 0.00 0.82 0.00 0.00 66.70 65.69 2jps h VAL 14 Cb 0.61 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2jps h VAL 14 CO 0.04 0.57 -0.59 0.00 0.02 0.00 0.00 177.57 177.61 2jps h ALA 15 N 0.71 0.73 -0.86 1.67 0.00 -0.89 -2.79 119.26 117.83 2jps h ALA 15 Ca 0.01 -0.53 0.15 0.00 0.00 0.00 0.00 54.91 54.54 2jps h ALA 15 Cb 1.16 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2jps h ALA 15 CO 0.12 0.71 0.56 1.49 0.00 0.00 0.00 179.25 182.13 2jps h GLU 16 N 0.33 0.60 0.12 0.00 4.81 -0.92 0.41 114.58 119.93 2jps h GLU 16 Ca -0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 16 Cb 1.13 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.38 2jps h GLU 16 CO 0.10 0.40 -0.81 0.87 -0.73 0.00 0.00 179.01 178.84 2jps h LYS 17 N 0.62 0.25 0.04 1.92 1.79 -1.55 -2.17 116.57 117.45 2jps h LYS 17 Ca 0.43 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jps h LYS 17 Cb 0.77 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2jps h LYS 17 CO -0.18 1.20 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.30 2jps h LEU 18 N -0.45 -0.04 -1.54 2.94 3.38 -1.15 0.35 115.31 118.80 2jps h LEU 18 Ca -0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2jps h LEU 18 Cb 1.58 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2jps h LEU 18 CO 0.11 0.02 -0.19 0.00 0.09 0.00 0.00 178.44 178.47 2jps h ALA 19 N 0.87 1.63 0.09 1.53 0.00 -0.33 -2.86 119.26 120.19 2jps h ALA 19 Ca -0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 2jps h ALA 19 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jps h ALA 19 CO 0.01 0.28 -1.15 0.78 0.00 0.00 0.00 179.25 179.17 2jps h GLY 20 N 0.65 0.33 -4.25 0.00 0.00 -0.75 -3.46 103.07 95.58 2jps h GLY 20 Ca 0.01 -0.76 -0.60 0.00 0.00 0.00 0.00 47.33 45.98 2jps h GLY 20 CO 0.03 0.67 0.13 1.39 0.00 0.00 0.00 176.54 178.76 2jps n ILE 21 N -3.58 2.09 -2.20 2.60 5.41 0.12 -4.94 119.36 118.86 2jps n ILE 21 Ca -0.08 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.84 2jps n ILE 21 Cb 0.97 -1.05 -0.00 0.00 -0.71 0.00 0.00 39.64 38.84 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 -1.69 3.48 -1.46 0.38 0.04 -1.26 -3.37 135.00 131.11 2jps s PRO 22 Ca 0.60 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2jps s PRO 22 Cb -0.65 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2jps s PRO 22 CO 0.59 -0.69 0.00 0.09 0.04 0.00 0.00 177.00 177.04 2jps n ASN 23 N -1.72 -4.54 -3.67 6.66 3.02 -1.26 -4.90 115.26 108.85 2jps n ASN 23 Ca 0.09 0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.53 2jps n ASN 23 Cb 0.53 -3.92 -0.07 0.00 -0.61 0.00 0.00 39.78 35.71 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2jps n PHE 24 N -3.13 3.48 -4.04 3.10 -0.00 -1.22 -5.07 117.46 110.59 2jps n PHE 24 Ca -0.18 -3.98 -0.22 0.00 -0.00 0.00 0.00 57.45 53.07 2jps n PHE 24 Cb 0.60 -0.73 -0.05 0.00 -0.00 0.00 0.00 39.48 39.30 2jps n PHE 24 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2jps s ASN 25 N -1.94 4.91 0.55 -2.13 0.01 -1.26 -4.75 114.94 110.32 2jps s ASN 25 Ca 0.35 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2jps s ASN 25 Cb 0.08 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.87 2jps s ASN 25 CO -0.04 -0.26 0.00 1.21 -1.51 0.00 0.00 177.10 176.50 2jps n GLU 26 N -1.19 -3.98 -3.27 -0.60 2.13 -1.26 -4.70 120.64 107.76 2jps n GLU 26 Ca -0.03 3.06 -0.23 0.00 0.66 0.00 0.00 57.16 60.62 2jps n GLU 26 Cb 0.60 -3.75 0.00 0.00 0.27 0.00 0.00 31.44 28.57 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 -2.20 -4.16 -0.11 4.31 9.92 -1.26 -4.85 116.55 118.20 2jps n ASP 27 Ca 0.00 -0.35 -0.12 0.00 -0.53 0.00 0.00 54.79 53.79 2jps n ASP 27 Cb 0.36 -3.42 -0.15 0.00 -0.64 0.00 0.00 41.12 37.27 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 -4.03 1.40 0.08 0.53 0.00 -1.26 -3.42 119.36 112.66 2jps n ILE 28 Ca -0.04 -0.78 -0.19 0.00 0.00 0.00 0.00 62.75 61.75 2jps n ILE 28 Cb 0.56 -0.70 -0.14 0.00 0.00 0.00 0.00 39.64 39.35 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 0.31 -0.01 9.51 1.57 -1.98 -3.13 116.57 122.84 2jps h LYS 29 Ca -0.55 -0.52 -0.14 0.00 -1.87 0.00 0.00 60.65 57.56 2jps h LYS 29 Cb 2.15 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 34.64 2jps h LYS 29 CO 0.00 1.19 -0.66 1.88 -0.57 0.00 0.00 179.45 181.29 2jps h TYR 30 N 0.08 0.07 -0.23 -1.35 0.05 -1.97 -2.98 116.97 110.64 2jps h TYR 30 Ca -0.25 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.35 2jps h TYR 30 Cb 2.04 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.76 2jps h TYR 30 CO 0.08 0.70 -0.46 -0.24 -1.05 0.00 0.00 178.16 177.18 2jps h VAL 31 N 0.04 1.31 -0.54 -2.88 3.04 -1.65 -2.79 116.25 112.77 2jps h VAL 31 Ca -0.01 -1.66 -0.11 0.00 -1.01 0.00 0.00 66.70 63.91 2jps h VAL 31 Cb 1.17 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 2jps h VAL 31 CO 0.09 0.52 -0.10 0.00 -1.01 0.00 0.00 177.57 177.07 2jps h ALA 32 N 1.02 0.74 -0.68 3.17 0.00 -1.50 -1.37 119.26 120.65 2jps h ALA 32 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 32 Cb 0.98 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2jps h ALA 32 CO 0.09 0.66 0.44 0.93 0.00 0.00 0.00 179.25 181.37 2jps h GLU 33 N 0.91 0.87 -0.65 0.00 4.39 -1.44 -0.27 114.58 118.38 2jps h GLU 33 Ca 0.14 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2jps h GLU 33 Cb 0.67 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2jps h GLU 33 CO 0.05 0.58 0.08 -0.92 -1.16 0.00 0.00 179.01 177.64 2jps h TYR 34 N 0.90 1.17 -0.46 4.33 3.20 -1.32 -0.39 116.97 124.40 2jps h TYR 34 Ca 0.25 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2jps h TYR 34 Cb -0.08 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.85 2jps h TYR 34 CO -0.03 0.99 0.28 0.82 -1.64 0.00 0.00 178.16 178.58 2jps h ILE 35 N 1.02 1.07 -0.68 1.81 2.04 -0.42 1.00 117.51 123.35 2jps h ILE 35 Ca 0.20 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2jps h ILE 35 Cb 0.47 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2jps h ILE 35 CO 0.02 0.10 0.24 0.58 0.00 0.00 0.00 178.15 179.09 2jps h VAL 36 N 0.57 1.25 -0.73 1.67 2.07 -0.77 -0.42 116.25 119.89 2jps h VAL 36 Ca 0.18 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jps h VAL 36 Cb -0.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2jps h VAL 36 CO -0.07 0.32 0.46 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 0.97 0.76 -0.62 2.57 5.85 -0.23 0.16 115.31 124.78 2jps h LEU 37 Ca 0.22 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2jps h LEU 37 Cb 0.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2jps h LEU 37 CO -0.01 0.53 0.25 -0.07 -0.34 0.00 0.00 178.44 178.79 2jps h LEU 38 N 0.90 0.85 -0.24 2.25 3.38 -0.33 -0.44 115.31 121.68 2jps h LEU 38 Ca 0.29 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jps h LEU 38 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jps h LEU 38 CO -0.11 0.79 0.12 0.40 0.09 0.00 0.00 178.44 179.73 2jps h ILE 39 N 0.86 1.01 -0.41 1.22 1.08 0.06 -1.68 117.51 119.65 2jps h ILE 39 Ca 0.21 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 2jps h ILE 39 Cb 0.20 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 2jps h ILE 39 CO -0.02 0.05 0.16 0.58 -0.69 0.00 0.00 178.15 178.23 2jps h VAL 40 N 0.26 1.16 -0.78 1.67 2.07 -0.41 -2.34 116.25 117.88 2jps h VAL 40 Ca 0.10 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2jps h VAL 40 Cb 0.02 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2jps h VAL 40 CO -0.06 0.19 0.51 0.78 0.02 0.00 0.00 177.57 179.02 2jps h ASN 41 N 0.58 0.77 0.00 0.57 2.35 -0.12 -3.45 115.58 116.28 2jps h ASN 41 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jps h ASN 41 Cb 0.13 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2jps h ASN 41 CO -0.01 0.51 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 2jps n GLY 42 N -1.43 -1.60 0.00 2.83 0.00 -0.89 -5.08 105.19 99.03 2jps n GLY 42 Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.25 0.67 3.04 -0.02 0.00 -1.17 -4.98 105.19 101.48 2jps n GLY 43 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.61 2.10 0.41 2.61 -4.23 -1.26 -5.00 115.64 109.67 2jps s THR 44 Ca 0.00 -1.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.02 2jps s THR 44 Cb 0.00 -2.28 0.41 0.00 1.34 0.00 0.00 72.50 71.97 2jps s THR 44 CO 0.00 -0.13 1.77 0.58 -0.54 0.00 0.00 174.62 176.30 2jps h VAL 45 N 6.73 0.50 0.42 2.29 2.07 -1.96 0.84 116.25 127.14 2jps h VAL 45 Ca -0.17 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jps h VAL 45 Cb 1.04 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jps h VAL 45 CO 0.46 0.06 -0.20 -0.08 0.02 0.00 0.00 177.57 177.83 2jps h GLU 46 N 0.34 -0.54 -0.44 1.57 4.81 -1.98 0.25 114.58 118.59 2jps h GLU 46 Ca 0.60 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.81 2jps h GLU 46 Cb 1.61 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.09 2jps h GLU 46 CO -0.27 -0.27 0.07 1.03 -0.73 0.00 0.00 179.01 178.83 2jps h SER 47 N -1.06 0.63 -0.20 1.04 0.87 -1.86 0.64 113.55 113.61 2jps h SER 47 Ca -0.06 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2jps h SER 47 Cb 0.52 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2jps h SER 47 CO 0.09 0.65 -0.06 0.58 -0.53 0.00 0.00 176.83 177.57 2jps h VAL 48 N 0.65 1.29 -0.38 2.23 2.07 0.68 -2.28 116.25 120.51 2jps h VAL 48 Ca 0.14 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 2jps h VAL 48 Cb 0.30 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2jps h VAL 48 CO 0.00 0.32 -0.22 0.58 0.02 0.00 0.00 177.57 178.27 2jps h VAL 49 N 0.10 1.27 -0.45 2.57 2.07 -0.26 -2.77 116.25 118.79 2jps h VAL 49 Ca 0.05 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jps h VAL 49 Cb 0.52 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2jps h VAL 49 CO 0.02 0.44 0.26 0.44 0.02 0.00 0.00 177.57 178.76 2jps h ASP 50 N 0.66 0.53 -0.37 0.57 5.19 -0.78 -1.39 116.42 120.84 2jps h ASP 50 Ca 0.09 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 2jps h ASP 50 Cb 0.73 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2jps h ASP 50 CO 0.06 0.41 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.07 2jps h GLU 51 N 0.61 0.85 -0.22 3.56 3.07 -1.12 -1.45 114.58 119.89 2jps h GLU 51 Ca 0.16 -0.33 -0.18 0.00 -0.50 0.00 0.00 59.36 58.51 2jps h GLU 51 Cb -0.01 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2jps h GLU 51 CO -0.03 0.97 -0.56 -0.07 -1.40 0.00 0.00 179.01 177.92 2jps h LEU 52 N 0.75 0.87 -1.08 1.33 -0.00 -1.37 -3.11 115.31 112.70 2jps h LEU 52 Ca 0.11 -0.57 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 2jps h LEU 52 Cb 0.72 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 2jps h LEU 52 CO 0.06 1.28 0.41 0.00 -0.00 0.00 0.00 178.44 180.19 2jps h ALA 53 N 0.61 1.30 -0.68 1.53 0.00 -1.16 1.00 119.26 121.85 2jps h ALA 53 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jps h ALA 53 Cb 1.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2jps h ALA 53 CO 0.12 0.57 0.45 0.66 0.00 0.00 0.00 179.25 181.06 2jps h SER 54 N 1.06 0.72 0.08 0.00 4.64 -1.20 -2.55 113.55 116.30 2jps h SER 54 Ca 0.27 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.20 2jps h SER 54 Cb 0.03 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 2jps h SER 54 CO -0.04 0.50 -2.20 0.18 -0.87 0.00 0.00 176.83 174.40 2jps n LEU 55 N -4.46 2.73 -3.89 5.97 4.77 -0.85 -4.57 117.00 116.72 2jps n LEU 55 Ca 0.08 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.12 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 2jps n LEU 55 CO 0.35 0.88 0.73 0.49 -1.33 0.00 0.00 177.39 178.51 2jps n PHE 56 N -3.38 3.10 1.20 -1.77 3.72 0.34 -4.84 117.46 115.83 2jps n PHE 56 Ca -0.37 -3.29 0.12 0.00 -0.05 0.00 0.00 57.45 53.86 2jps n PHE 56 Cb 1.03 -1.09 0.64 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.41 0.00 -2.09 4.37 2.03 -0.97 -3.40 116.55 117.90 2jps n ASP 57 Ca 0.26 -0.09 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 2jps n ASP 57 Cb 0.36 -0.28 0.26 0.00 -0.72 0.00 0.00 41.12 40.74 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jps n SER 58 N -1.28 4.40 -4.41 1.67 3.41 -1.26 -4.95 113.62 111.21 2jps n SER 58 Ca 0.12 -3.38 -0.25 0.00 -0.26 0.00 0.00 58.87 55.09 2jps n SER 58 Cb 0.20 -0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jps s VAL 59 N -3.12 2.24 0.34 -3.33 1.01 -1.22 -5.12 120.40 111.20 2jps s VAL 59 Ca 0.56 -2.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.21 2jps s VAL 59 Cb 0.46 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2jps s VAL 59 CO 0.12 -0.21 1.09 -0.44 0.00 0.00 0.00 175.10 175.67 2jps s SER 60 N -2.79 6.98 0.38 3.32 0.01 -1.26 -4.92 113.70 115.42 2jps s SER 60 Ca 0.21 2.19 0.12 0.00 1.31 0.00 0.00 55.95 59.78 2jps s SER 60 Cb -0.07 -2.61 0.93 0.00 0.21 0.00 0.00 66.02 64.48 2jps s SER 60 CO 0.10 -0.34 1.86 0.03 0.41 0.00 0.00 173.24 175.29 2jps h ARG 61 N 3.17 0.55 -0.59 12.44 2.47 -1.99 -0.29 114.38 130.14 2jps h ARG 61 Ca -0.48 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 2jps h ARG 61 Cb 1.22 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 2jps h ARG 61 CO 0.65 0.37 0.34 0.22 0.56 0.00 0.00 179.97 182.10 2jps h ASP 62 N 0.57 0.71 -0.33 7.04 3.58 -1.97 0.35 116.42 126.36 2jps h ASP 62 Ca 0.47 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.74 2jps h ASP 62 Cb 0.93 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2jps h ASP 62 CO -0.21 0.56 -0.30 0.74 -2.88 0.00 0.00 179.24 177.15 2jps h THR 63 N 0.81 1.29 -0.21 2.25 2.02 -1.42 0.45 112.91 118.10 2jps h THR 63 Ca 0.21 -1.46 -0.19 0.00 0.77 0.00 0.00 66.41 65.73 2jps h THR 63 Cb -0.00 1.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2jps h THR 63 CO -0.04 0.48 -0.63 -0.07 0.37 0.00 0.00 175.52 175.63 2jps h LEU 64 N 0.56 0.92 -0.68 2.58 4.07 -1.26 -2.57 115.31 118.93 2jps h LEU 64 Ca 0.06 -0.58 -0.14 0.00 0.08 0.00 0.00 57.88 57.29 2jps h LEU 64 Cb 0.87 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2jps h LEU 64 CO 0.08 1.34 -0.57 0.00 -1.08 0.00 0.00 178.44 178.21 2jps h ALA 65 N 0.60 0.87 -0.55 1.53 0.00 -0.30 -1.98 119.26 119.43 2jps h ALA 65 Ca -0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2jps h ALA 65 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jps h ALA 65 CO 0.13 0.70 0.00 -0.91 0.00 0.00 0.00 179.25 179.18 2jps h ASN 66 N 0.21 0.92 0.25 0.00 2.35 -0.03 0.29 115.58 119.57 2jps h ASN 66 Ca -0.00 -0.24 -0.22 0.00 -0.55 0.00 0.00 56.30 55.28 2jps h ASN 66 Cb 1.06 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2jps h ASN 66 CO 0.09 0.98 -0.89 0.58 -1.65 0.00 0.00 177.43 176.53 2jps h VAL 67 N 0.87 1.37 -0.25 2.81 2.07 -1.37 -2.70 116.25 119.06 2jps h VAL 67 Ca 0.16 -2.32 -0.15 0.00 0.82 0.00 0.00 66.70 65.21 2jps h VAL 67 Cb 0.51 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2jps h VAL 67 CO 0.03 0.70 -0.44 0.58 0.02 0.00 0.00 177.57 178.46 2jps h VAL 68 N 0.28 1.30 -0.27 2.57 2.07 -1.17 -2.93 116.25 118.10 2jps h VAL 68 Ca -0.07 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2jps h VAL 68 Cb 1.52 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2jps h VAL 68 CO 0.16 0.52 0.15 1.56 0.02 0.00 0.00 177.57 179.97 2jps h GLN 69 N 0.51 0.37 0.00 1.57 4.20 -0.37 -2.06 115.11 119.33 2jps h GLN 69 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2jps h GLN 69 Cb 0.97 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 2jps h GLN 69 CO 0.09 0.32 -0.05 0.00 -0.67 0.00 0.00 178.83 178.52 2jps h THR 70 N 0.32 0.91 -0.46 -0.54 1.03 -1.44 -1.90 112.91 110.82 2jps h THR 70 Ca 0.09 -0.17 -0.03 0.00 -0.01 0.00 0.00 66.41 66.28 2jps h THR 70 Cb 0.06 1.10 -0.02 0.00 -1.07 0.00 0.00 68.15 68.21 2jps h THR 70 CO -0.02 0.05 0.15 0.00 -0.01 0.00 0.00 175.52 175.69 2jps h ALA 71 N 1.95 0.60 -0.18 0.00 0.00 -1.19 0.48 119.26 120.93 2jps h ALA 71 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 71 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jps h ALA 71 CO 0.01 0.24 0.05 0.74 0.00 0.00 0.00 179.25 180.29 2jps h PHE 72 N 0.61 0.29 -0.88 0.00 0.04 -1.16 -0.86 116.94 114.98 2jps h PHE 72 Ca 0.15 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2jps h PHE 72 Cb 0.25 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 2jps h PHE 72 CO 0.01 0.40 0.52 0.35 -0.60 0.00 0.00 178.31 178.99 2jps h PHE 73 N 0.10 1.17 -0.54 -0.55 3.57 -1.20 -2.34 116.94 117.15 2jps h PHE 73 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2jps h PHE 73 Cb 0.25 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2jps h PHE 73 CO 0.01 0.79 0.28 0.00 -2.23 0.00 0.00 178.31 177.15 2jps h ALA 74 N 1.35 0.70 -0.99 2.41 0.00 0.32 -1.79 119.26 121.25 2jps h ALA 74 Ca 0.32 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2jps h ALA 74 Cb -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 2jps h ALA 74 CO -0.06 0.23 0.64 -0.07 0.00 0.00 0.00 179.25 180.00 2jps h LEU 75 N 0.73 1.01 -0.48 0.00 3.38 -0.63 0.86 115.31 120.17 2jps h LEU 75 Ca 0.19 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2jps h LEU 75 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jps h LEU 75 CO -0.03 0.63 -0.11 -0.33 0.09 0.00 0.00 178.44 178.69 2jps h GLU 76 N 1.14 0.92 -0.60 1.13 3.07 -1.09 -1.71 114.58 117.43 2jps h GLU 76 Ca 0.44 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 2jps h GLU 76 Cb 0.22 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2jps h GLU 76 CO -0.18 1.00 0.08 0.00 -1.40 0.00 0.00 179.01 178.51 2jps h ALA 77 N 0.89 0.79 -0.72 3.43 0.00 -0.46 -2.81 119.26 120.38 2jps h ALA 77 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 77 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jps h ALA 77 CO 0.05 0.57 0.28 -0.07 0.00 0.00 0.00 179.25 180.07 2jps h LEU 78 N 0.90 0.99 -1.78 0.00 3.38 -0.73 0.43 115.31 118.51 2jps h LEU 78 Ca 0.18 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jps h LEU 78 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jps h LEU 78 CO 0.02 0.90 0.20 1.56 0.09 0.00 0.00 178.44 181.21 2jps h GLN 79 N 1.03 0.28 0.15 1.13 4.20 -1.07 -2.90 115.11 117.93 2jps h GLN 79 Ca 0.24 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.58 2jps h GLN 79 Cb 0.22 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2jps h GLN 79 CO -0.02 0.18 -1.83 1.96 -0.67 0.00 0.00 178.83 178.45 2jps h GLN 80 N 0.29 0.32 0.00 1.46 4.20 -1.21 -3.49 115.11 116.67 2jps h GLN 80 Ca 0.12 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2jps h GLN 80 Cb 0.15 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2jps h GLN 80 CO -0.03 1.26 0.00 0.41 -0.67 0.00 0.00 178.83 179.81 2jps n GLY 81 N 1.91 0.37 3.51 3.46 0.00 0.09 -5.13 105.19 109.41 2jps n GLY 81 Ca -0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 1.75 -0.11 1.61 0.41 -1.09 -4.96 118.70 116.31 2jps s GLU 82 Ca 0.00 -1.97 0.01 0.00 -0.41 0.00 0.00 54.97 52.60 2jps s GLU 82 Cb 0.00 -1.20 -0.01 0.00 -1.78 0.00 0.00 34.13 31.14 2jps s GLU 82 CO 0.00 -0.10 -0.15 -1.12 -0.49 0.00 0.00 175.26 173.39 2jps s SER 83 N -3.56 3.83 -0.14 -0.19 0.01 -1.26 -4.87 113.70 107.52 2jps s SER 83 Ca 0.35 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 57.37 2jps s SER 83 Cb 0.08 -1.45 -0.23 0.00 0.21 0.00 0.00 66.02 64.63 2jps s SER 83 CO 0.16 0.19 0.29 0.00 0.41 0.00 0.00 173.24 174.29 2jps n ALA 84 N 3.34 1.42 -0.28 1.44 0.00 -1.26 -4.29 120.51 120.89 2jps n ALA 84 Ca -0.18 -1.02 0.16 0.00 0.00 0.00 0.00 53.44 52.41 2jps n ALA 84 Cb 0.53 -0.48 0.44 0.00 0.00 0.00 0.00 19.45 19.94 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 0.01 0.54 -0.92 0.00 4.81 -1.95 0.51 114.58 117.59 2jps h GLU 85 Ca -0.44 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2jps h GLU 85 Cb 2.10 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 31.30 2jps h GLU 85 CO 0.04 0.36 0.60 -0.91 -0.73 0.00 0.00 179.01 178.36 2jps h ASN 86 N 0.55 0.94 -0.44 1.04 2.35 -2.02 -1.32 115.58 116.68 2jps h ASN 86 Ca 0.50 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.19 2jps h ASN 86 Cb 1.05 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2jps h ASN 86 CO -0.24 0.61 0.03 0.40 -1.65 0.00 0.00 177.43 176.57 2jps h ILE 87 N 1.07 1.24 -0.72 2.81 2.04 -1.13 -2.69 117.51 120.14 2jps h ILE 87 Ca 0.39 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2jps h ILE 87 Cb 0.16 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2jps h ILE 87 CO -0.14 0.35 0.47 0.58 0.00 0.00 0.00 178.15 179.42 2jps h VAL 88 N 0.79 1.16 -0.85 1.67 2.07 -1.12 -1.93 116.25 118.04 2jps h VAL 88 Ca 0.16 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.42 2jps h VAL 88 Cb 0.43 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2jps h VAL 88 CO 0.02 0.17 0.52 -1.28 0.02 0.00 0.00 177.57 177.02 2jps h SER 89 N 0.94 0.82 0.11 0.57 0.87 -1.25 0.37 113.55 115.98 2jps h SER 89 Ca 0.27 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2jps h SER 89 Cb -0.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2jps h SER 89 CO -0.06 0.51 -0.51 0.50 -0.53 0.00 0.00 176.83 176.74 2jps h LYS 90 N 0.95 0.44 -0.30 2.24 3.64 -1.42 -2.90 116.57 119.22 2jps h LYS 90 Ca 0.38 -0.26 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 2jps h LYS 90 Cb 0.20 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jps h LYS 90 CO -0.18 0.85 -0.48 0.82 -2.27 0.00 0.00 179.45 178.19 2jps h ILE 91 N 0.35 1.28 -0.80 2.00 1.08 -0.53 -2.33 117.51 118.56 2jps h ILE 91 Ca 0.01 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 62.83 2jps h ILE 91 Cb 1.01 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 36.28 2jps h ILE 91 CO 0.09 0.54 0.53 -0.09 -0.69 0.00 0.00 178.15 178.53 2jps h ARG 92 N 0.65 1.02 -0.20 2.37 2.43 -0.24 0.78 114.38 121.18 2jps h ARG 92 Ca 0.03 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 2jps h ARG 92 Cb 1.06 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2jps h ARG 92 CO 0.11 0.67 -0.68 0.52 -1.51 0.00 0.00 179.97 179.08 2jps h MET 93 N 1.05 0.79 -0.13 0.20 2.86 -1.40 0.42 114.93 118.71 2jps h MET 93 Ca 0.30 -0.58 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 2jps h MET 93 Cb -0.07 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2jps h MET 93 CO -0.07 1.20 -0.74 1.98 1.06 0.00 0.00 176.91 180.33 2jps h MET 94 N 0.57 0.63 -0.12 1.72 1.85 -0.85 -1.85 114.93 116.88 2jps h MET 94 Ca -0.02 -0.51 -0.17 0.00 -0.61 0.00 0.00 59.70 58.39 2jps h MET 94 Cb 1.29 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.42 2jps h MET 94 CO 0.14 1.13 -0.64 -0.91 -0.40 0.00 0.00 176.91 176.23 2jps h ASN 95 N 0.43 0.53 -0.22 1.39 -0.26 0.56 -2.59 115.58 115.43 2jps h ASN 95 Ca -0.04 -0.32 -0.15 0.00 -0.56 0.00 0.00 56.30 55.24 2jps h ASN 95 Cb 1.34 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 2jps h ASN 95 CO 0.14 1.03 -0.40 0.00 -1.06 0.00 0.00 177.43 177.14 2jps h ALA 96 N 0.97 0.69 -0.68 -0.83 0.00 -0.89 -2.97 119.26 115.55 2jps h ALA 96 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 96 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2jps h ALA 96 CO 0.11 0.67 0.12 1.96 0.00 0.00 0.00 179.25 182.11 2jps h GLN 97 N 0.63 1.13 -0.71 0.00 1.08 -1.29 0.16 115.11 116.12 2jps h GLN 97 Ca 0.05 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2jps h GLN 97 Cb 0.96 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.22 2jps h GLN 97 CO 0.09 1.03 0.47 0.77 -0.95 0.00 0.00 178.83 180.23 2jps h SER 98 N 1.06 0.78 -0.60 1.46 0.02 -1.36 -2.77 113.55 112.14 2jps h SER 98 Ca 0.21 -0.02 -0.42 0.00 -0.84 0.00 0.00 61.79 60.72 2jps h SER 98 Cb 0.44 -0.19 -0.29 0.00 0.14 0.00 0.00 62.40 62.50 2jps h SER 98 CO 0.01 0.55 -0.44 0.18 -1.14 0.00 0.00 176.83 175.99 2jps n LEU 99 N -4.44 4.78 -2.47 5.07 4.32 -1.02 -4.73 117.00 118.52 2jps n LEU 99 Ca 0.08 -4.41 -0.19 0.00 -0.02 0.00 0.00 56.01 51.47 2jps n LEU 99 Cb 0.07 -0.50 0.02 0.00 -1.62 0.00 0.00 43.42 41.39 2jps n LEU 99 CO 0.36 1.79 0.09 0.61 -1.22 0.00 0.00 177.39 179.01 2jps n GLY 100 N -0.87 4.54 3.53 -0.72 0.00 0.54 -4.98 105.19 107.24 2jps n GLY 100 Ca 0.41 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -3.48 2.43 -1.09 1.61 -0.21 -1.26 -4.72 119.66 112.95 2jps s GLN 101 Ca 0.41 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.86 2jps s GLN 101 Cb 0.41 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 2jps s GLN 101 CO -0.07 0.60 0.82 -1.13 -2.12 0.00 0.00 175.29 173.38 2jps n SER 102 N 1.76 -5.78 -4.27 5.90 3.41 -1.26 -5.01 113.62 108.37 2jps n SER 102 Ca -0.16 -0.90 -0.18 0.00 -0.26 0.00 0.00 58.87 57.37 2jps n SER 102 Cb 0.52 -3.87 -0.11 0.00 -0.26 0.00 0.00 64.21 60.49 2jps n SER 102 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2jps s ASP 103 N -3.41 2.17 -0.36 4.04 -4.77 -1.26 -5.07 116.67 108.00 2jps s ASP 103 Ca 0.44 -0.87 0.13 0.00 -3.30 0.00 0.00 52.55 48.95 2jps s ASP 103 Cb -0.13 -0.09 0.45 0.00 -1.09 0.00 0.00 42.92 42.06 2jps s ASP 103 CO 0.83 -0.15 1.02 0.00 0.70 0.00 0.00 175.17 177.56 2jps n ILE 104 N 0.27 1.55 0.13 2.11 3.06 -1.26 -5.22 119.36 120.00 2jps n ILE 104 Ca -0.13 -3.79 0.02 0.00 -2.50 0.00 0.00 62.75 56.34 2jps n ILE 104 Cb 0.58 -0.09 0.01 0.00 0.54 0.00 0.00 39.64 40.68 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05