#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 0.26 -0.62 6.12 1.04 -1.26 -5.10 113.70 114.15 2jps s SER 2 Ca 0.00 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.79 2jps s SER 2 Cb 0.00 0.24 0.24 0.00 0.10 0.00 0.00 66.02 66.61 2jps s SER 2 CO 0.00 -0.59 0.71 0.00 0.98 0.00 0.00 173.24 174.34 2jps n GLN 3 N 0.38 2.29 -0.06 4.02 1.13 -1.26 -4.86 117.38 119.02 2jps n GLN 3 Ca -0.17 -4.51 -0.18 0.00 -1.94 0.00 0.00 57.00 50.21 2jps n GLN 3 Cb 0.60 -2.15 -0.13 0.00 0.11 0.00 0.00 30.24 28.67 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 0.98 0.70 -0.28 -1.09 2.13 -1.26 -3.44 120.64 118.38 2jps n GLU 4 Ca 0.28 0.20 0.12 0.00 0.66 0.00 0.00 57.16 58.42 2jps n GLU 4 Cb 0.42 -1.63 0.37 0.00 0.27 0.00 0.00 31.44 30.88 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 0.68 -0.08 5.31 3.07 -1.99 0.64 115.11 122.76 2jps h GLN 5 Ca -0.48 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.02 2jps h GLN 5 Cb 2.00 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 29.42 2jps h GLN 5 CO 0.01 0.45 -0.74 1.88 0.09 0.00 0.00 178.83 180.53 2jps h TYR 6 N 0.70 0.91 -0.81 0.06 -1.99 -1.97 -2.52 116.97 111.35 2jps h TYR 6 Ca 0.46 -0.43 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2jps h TYR 6 Cb 0.76 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.32 2jps h TYR 6 CO -0.00 1.25 0.46 1.15 -0.00 0.00 0.00 178.16 181.02 2jps h THR 7 N 0.30 1.23 -0.50 -2.88 2.02 -0.96 0.76 112.91 112.89 2jps h THR 7 Ca -0.07 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 2jps h THR 7 Cb 1.39 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2jps h THR 7 CO 0.15 0.25 -0.00 -0.08 0.37 0.00 0.00 175.52 176.21 2jps h GLU 8 N 1.11 0.89 -0.21 6.66 4.81 0.17 0.21 114.58 128.22 2jps h GLU 8 Ca 0.29 -0.28 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2jps h GLU 8 Cb -0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2jps h GLU 8 CO -0.05 0.92 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.71 2jps h ASN 9 N 0.75 0.83 -0.79 1.04 4.21 -1.08 -3.08 115.58 117.47 2jps h ASN 9 Ca 0.14 -0.57 -0.03 0.00 1.21 0.00 0.00 56.30 57.05 2jps h ASN 9 Cb 0.52 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.44 2jps h ASN 9 CO 0.03 1.25 0.37 -0.07 -1.29 0.00 0.00 177.43 177.72 2jps h LEU 10 N 0.45 1.04 -2.10 1.61 3.38 0.69 -1.89 115.31 118.48 2jps h LEU 10 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2jps h LEU 10 Cb 1.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jps h LEU 10 CO 0.12 0.89 0.05 0.50 0.09 0.00 0.00 178.44 180.08 2jps h LYS 11 N 1.12 0.00 0.16 1.13 3.64 -0.54 0.51 116.57 122.59 2jps h LYS 11 Ca 0.27 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.43 2jps h LYS 11 Cb 0.13 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2jps h LYS 11 CO -0.03 0.00 -0.98 0.28 -2.27 0.00 0.00 179.45 176.45 2jps h VAL 12 N 0.00 1.45 -0.07 2.00 2.07 -1.28 -2.24 116.25 118.17 2jps h VAL 12 Ca 0.03 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.87 2jps h VAL 12 Cb 0.14 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 2jps h VAL 12 CO -0.00 0.74 -0.50 0.40 0.02 0.00 0.00 177.57 178.22 2jps h ILE 13 N -0.27 1.35 -0.13 4.57 2.04 -0.87 -2.25 117.51 121.95 2jps h ILE 13 Ca -0.17 -1.74 -0.22 0.00 1.00 0.00 0.00 64.86 63.73 2jps h ILE 13 Cb 1.75 1.86 0.01 0.00 -0.74 0.00 0.00 36.82 39.70 2jps h ILE 13 CO 0.17 0.51 -0.78 0.58 0.00 0.00 0.00 178.15 178.64 2jps h VAL 14 N 0.15 1.30 -0.25 1.67 2.07 -0.07 -3.16 116.25 117.96 2jps h VAL 14 Ca 0.00 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.42 2jps h VAL 14 Cb 0.94 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2jps h VAL 14 CO 0.08 0.63 -0.20 0.00 0.02 0.00 0.00 177.57 178.09 2jps h ALA 15 N 0.64 1.18 -0.87 1.67 0.00 -1.30 -2.81 119.26 117.77 2jps h ALA 15 Ca -0.05 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.70 2jps h ALA 15 Cb 1.40 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2jps h ALA 15 CO 0.15 0.52 0.56 1.49 0.00 0.00 0.00 179.25 181.98 2jps h GLU 16 N 0.42 0.57 0.16 0.00 4.81 -1.36 0.46 114.58 119.62 2jps h GLU 16 Ca 0.07 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.06 2jps h GLU 16 Cb 0.59 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.87 2jps h GLU 16 CO 0.04 0.37 -0.91 0.87 -0.73 0.00 0.00 179.01 178.66 2jps h LYS 17 N 0.58 0.34 0.37 1.92 1.79 -1.59 -2.38 116.57 117.60 2jps h LYS 17 Ca 0.44 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 2jps h LYS 17 Cb 0.83 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2jps h LYS 17 CO -0.19 1.27 -0.18 -0.07 -1.08 0.00 0.00 179.45 179.21 2jps h LEU 18 N -0.30 -0.42 -2.17 2.94 3.38 -1.19 -0.63 115.31 116.92 2jps h LEU 18 Ca -0.16 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2jps h LEU 18 Cb 1.72 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2jps h LEU 18 CO 0.17 -0.14 0.06 0.00 0.09 0.00 0.00 178.44 178.62 2jps h ALA 19 N -0.15 1.88 0.08 1.53 0.00 -0.26 -2.29 119.26 120.06 2jps h ALA 19 Ca -0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.49 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jps h ALA 19 CO 0.08 -0.10 -1.13 0.78 0.00 0.00 0.00 179.25 178.88 2jps h GLY 20 N 0.00 0.47 -5.09 0.00 0.00 -1.06 -3.45 103.07 93.94 2jps h GLY 20 Ca 0.03 -0.99 -0.62 0.00 0.00 0.00 0.00 47.33 45.76 2jps h GLY 20 CO -0.00 0.87 0.65 1.39 0.00 0.00 0.00 176.54 179.44 2jps n ILE 21 N -3.69 0.14 0.34 2.60 5.41 -0.28 -4.85 119.36 119.03 2jps n ILE 21 Ca -0.09 -0.03 0.15 0.00 1.00 0.00 0.00 62.75 63.77 2jps n ILE 21 Cb 0.94 -1.27 0.60 0.00 -0.71 0.00 0.00 39.64 39.21 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 5.20 0.00 -0.90 0.38 0.13 -1.87 -3.03 132.00 131.90 2jps h PRO 22 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 2jps h PRO 22 Cb 1.29 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.14 2jps h PRO 22 CO 0.83 0.00 0.55 -1.71 -0.23 0.00 0.00 178.00 177.44 2jps n ASN 23 N -2.63 4.14 -4.02 1.44 2.85 -1.26 -4.88 115.26 110.91 2jps n ASN 23 Ca 0.01 -3.67 -0.31 0.00 -0.11 0.00 0.00 54.58 50.50 2jps n ASN 23 Cb 0.25 -0.82 -0.15 0.00 1.24 0.00 0.00 39.78 40.30 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2jps s PHE 24 N -3.38 2.95 -0.05 1.20 2.19 -1.15 -4.98 117.98 114.76 2jps s PHE 24 Ca 0.56 -2.11 -0.05 0.00 0.33 0.00 0.00 56.93 55.65 2jps s PHE 24 Cb 0.47 -1.80 -0.03 0.00 -1.31 0.00 0.00 43.02 40.35 2jps s PHE 24 CO 0.07 -0.84 -0.12 -1.71 1.83 0.00 0.00 175.22 174.45 2jps n ASN 25 N 4.52 1.00 -4.82 6.13 2.85 -1.26 -4.95 115.26 118.73 2jps n ASN 25 Ca -0.13 0.16 -0.26 0.00 -0.11 0.00 0.00 54.58 54.23 2jps n ASN 25 Cb 0.43 -0.37 -0.04 0.00 1.24 0.00 0.00 39.78 41.04 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2jps s GLU 26 N -2.24 2.26 -1.48 1.20 2.02 -1.26 -4.68 118.70 114.53 2jps s GLU 26 Ca -0.12 -1.97 -0.12 0.00 0.02 0.00 0.00 54.97 52.78 2jps s GLU 26 Cb 0.03 -2.00 0.08 0.00 0.10 0.00 0.00 34.13 32.34 2jps s GLU 26 CO 0.16 -0.37 0.79 -0.25 0.02 0.00 0.00 175.26 175.61 2jps n ASP 27 N -1.49 -4.60 -0.10 -0.19 9.92 -1.26 -4.87 116.55 113.96 2jps n ASP 27 Ca -0.04 -0.62 -0.12 0.00 -0.53 0.00 0.00 54.79 53.49 2jps n ASP 27 Cb 0.65 -3.71 -0.14 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 -4.44 1.37 0.08 0.53 0.00 -1.26 -3.48 119.36 112.16 2jps n ILE 28 Ca 0.01 -0.75 -0.19 0.00 0.00 0.00 0.00 62.75 61.82 2jps n ILE 28 Cb 0.54 -0.73 -0.14 0.00 0.00 0.00 0.00 39.64 39.30 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 0.00 9.51 1.57 -1.96 -3.18 116.57 122.83 2jps h LYS 29 Ca -0.54 -0.53 -0.12 0.00 -1.87 0.00 0.00 60.65 57.59 2jps h LYS 29 Cb 2.11 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 34.61 2jps h LYS 29 CO -0.00 1.20 -0.58 1.88 -0.57 0.00 0.00 179.45 181.37 2jps h TYR 30 N 0.08 0.00 -0.16 -1.35 0.05 -1.97 -3.12 116.97 110.50 2jps h TYR 30 Ca -0.26 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.36 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 0.58 -0.56 -0.24 -1.05 0.00 0.00 178.16 176.96 2jps h VAL 31 N 0.00 1.33 -0.61 -2.88 3.04 -1.65 -2.98 116.25 112.50 2jps h VAL 31 Ca -0.01 -1.83 -0.09 0.00 -1.01 0.00 0.00 66.70 63.76 2jps h VAL 31 Cb 1.13 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 32.21 2jps h VAL 31 CO 0.08 0.56 0.02 0.00 -1.01 0.00 0.00 177.57 177.22 2jps h ALA 32 N 1.00 0.87 -0.50 3.17 0.00 -1.52 -1.55 119.26 120.74 2jps h ALA 32 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 32 Cb 1.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2jps h ALA 32 CO 0.10 0.67 0.31 0.93 0.00 0.00 0.00 179.25 181.26 2jps h GLU 33 N 0.98 0.61 -0.80 0.00 5.08 -1.48 -0.12 114.58 118.84 2jps h GLU 33 Ca 0.18 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2jps h GLU 33 Cb 0.53 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2jps h GLU 33 CO 0.03 0.40 0.33 -0.92 -1.00 0.00 0.00 179.01 177.86 2jps h TYR 34 N 0.63 1.21 -0.33 4.33 3.20 -1.36 -0.24 116.97 124.41 2jps h TYR 34 Ca 0.19 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jps h TYR 34 Cb -0.02 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.86 2jps h TYR 34 CO -0.05 0.91 0.21 0.82 -1.64 0.00 0.00 178.16 178.40 2jps h ILE 35 N 1.17 1.06 -0.75 1.81 2.04 -0.46 0.15 117.51 122.53 2jps h ILE 35 Ca 0.27 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 2jps h ILE 35 Cb 0.20 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2jps h ILE 35 CO -0.02 0.08 0.38 0.58 0.00 0.00 0.00 178.15 179.17 2jps h VAL 36 N 0.42 1.23 -0.70 1.67 2.07 -0.66 0.10 116.25 120.39 2jps h VAL 36 Ca 0.13 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2jps h VAL 36 Cb -0.02 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2jps h VAL 36 CO -0.05 0.27 0.46 0.25 0.02 0.00 0.00 177.57 178.52 2jps h LEU 37 N 1.04 0.81 -0.50 2.57 6.46 -0.30 0.38 115.31 125.78 2jps h LEU 37 Ca 0.26 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 2jps h LEU 37 Cb 0.08 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2jps h LEU 37 CO -0.04 0.60 0.15 -0.07 -0.62 0.00 0.00 178.44 178.46 2jps h LEU 38 N 0.95 0.72 -0.26 2.25 3.38 -0.10 0.11 115.31 122.36 2jps h LEU 38 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jps h LEU 38 Cb -0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2jps h LEU 38 CO -0.05 0.74 0.17 0.40 0.09 0.00 0.00 178.44 179.78 2jps h ILE 39 N 0.67 1.09 -0.40 1.22 1.08 -0.04 -1.98 117.51 119.15 2jps h ILE 39 Ca 0.16 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2jps h ILE 39 Cb 0.28 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2jps h ILE 39 CO -0.00 0.08 0.15 0.58 -0.69 0.00 0.00 178.15 178.27 2jps h VAL 40 N 0.34 1.16 -0.82 1.67 2.07 -0.01 -2.39 116.25 118.27 2jps h VAL 40 Ca 0.10 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.18 2jps h VAL 40 Cb -0.01 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2jps h VAL 40 CO -0.02 0.19 0.54 0.78 0.02 0.00 0.00 177.57 179.08 2jps h ASN 41 N 0.56 0.83 0.00 0.57 2.35 -0.19 -3.45 115.58 116.25 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 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2jps h ASN 41 CO -0.01 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 176.93 2jps n GLY 42 N -1.42 -1.63 0.00 2.83 0.00 -0.91 -5.08 105.19 98.99 2jps n GLY 42 Ca 0.12 0.47 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 -1.27 0.62 3.05 -0.02 0.00 -1.17 -4.99 105.19 101.41 2jps n GLY 43 Ca 0.00 -0.57 -0.32 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 -0.51 2.09 0.44 2.61 -4.23 -1.26 -5.00 115.64 109.78 2jps s THR 44 Ca 0.00 -1.61 0.20 0.00 -1.18 0.00 0.00 61.69 59.10 2jps s THR 44 Cb 0.00 -2.23 0.39 0.00 1.34 0.00 0.00 72.50 72.00 2jps s THR 44 CO 0.00 -0.06 1.88 0.58 -0.54 0.00 0.00 174.62 176.48 2jps h VAL 45 N 6.75 0.68 0.36 2.29 2.07 -1.96 0.91 116.25 127.35 2jps h VAL 45 Ca -0.18 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2jps h VAL 45 Cb 1.04 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jps h VAL 45 CO 0.46 0.06 -0.17 -0.33 0.02 0.00 0.00 177.57 177.60 2jps h GLU 46 N 0.33 -0.47 -0.42 1.57 5.08 -1.98 0.30 114.58 118.99 2jps h GLU 46 Ca 0.44 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.78 2jps h GLU 46 Cb 1.19 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2jps h GLU 46 CO -0.14 -0.21 0.07 0.77 -1.00 0.00 0.00 179.01 178.50 2jps h SER 47 N -1.06 0.60 -0.09 1.42 0.02 -1.90 0.19 113.55 112.74 2jps h SER 47 Ca -0.05 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2jps h SER 47 Cb 0.47 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2jps h SER 47 CO 0.08 0.63 -0.03 0.58 -1.14 0.00 0.00 176.83 176.94 2jps h VAL 48 N 0.62 1.31 -0.58 2.27 2.07 0.82 -2.22 116.25 120.54 2jps h VAL 48 Ca 0.14 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 2jps h VAL 48 Cb 0.29 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2jps h VAL 48 CO 0.00 0.28 0.03 0.58 0.02 0.00 0.00 177.57 178.49 2jps h VAL 49 N -0.17 1.26 -0.63 2.57 2.07 -0.17 -2.37 116.25 118.80 2jps h VAL 49 Ca 0.02 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.53 2jps h VAL 49 Cb 0.47 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2jps h VAL 49 CO 0.01 0.39 0.42 -0.78 0.02 0.00 0.00 177.57 177.63 2jps h ASP 50 N 0.91 0.58 -0.35 0.57 1.82 -0.54 0.25 116.42 119.66 2jps h ASP 50 Ca 0.17 -0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.65 2jps h ASP 50 Cb 0.48 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.36 2jps h ASP 50 CO 0.02 0.39 -0.41 -0.33 -1.61 0.00 0.00 179.24 177.29 2jps h GLU 51 N 0.67 0.91 -0.21 0.28 3.07 -0.89 -0.79 114.58 117.63 2jps h GLU 51 Ca 0.27 -0.50 -0.20 0.00 -0.50 0.00 0.00 59.36 58.43 2jps h GLU 51 Cb 0.21 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2jps h GLU 51 CO -0.08 1.15 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.96 2jps h LEU 52 N 0.71 0.88 -0.88 1.33 -0.00 -1.04 -3.10 115.31 113.20 2jps h LEU 52 Ca 0.05 -0.52 -0.08 0.00 -0.00 0.00 0.00 57.88 57.33 2jps h LEU 52 Cb 1.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 2jps h LEU 52 CO 0.10 1.30 -0.08 0.00 -0.00 0.00 0.00 178.44 179.77 2jps h ALA 53 N 0.70 1.06 -0.69 1.53 0.00 -0.49 1.14 119.26 122.51 2jps h ALA 53 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jps h ALA 53 Cb 1.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2jps h ALA 53 CO 0.13 0.58 0.46 1.03 0.00 0.00 0.00 179.25 181.45 2jps h SER 54 N 0.68 0.77 0.02 0.00 0.87 -1.07 -2.76 113.55 112.07 2jps h SER 54 Ca 0.12 -0.02 -0.39 0.00 -1.23 0.00 0.00 61.79 60.28 2jps h SER 54 Cb 0.53 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 2jps h SER 54 CO 0.03 0.54 -2.38 0.18 -0.53 0.00 0.00 176.83 174.67 2jps n LEU 55 N -4.44 2.89 -3.93 2.23 4.77 -1.04 -4.65 117.00 112.83 2jps n LEU 55 Ca 0.08 -0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 2jps n LEU 55 Cb 0.07 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2jps n LEU 55 CO 0.36 0.91 0.57 0.49 -1.33 0.00 0.00 177.39 178.39 2jps n PHE 56 N -3.33 3.56 -1.21 -1.77 3.72 0.39 -4.85 117.46 113.98 2jps n PHE 56 Ca -0.43 -3.63 -0.18 0.00 -0.05 0.00 0.00 57.45 53.15 2jps n PHE 56 Cb 1.00 -1.08 0.21 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.67 3.88 -0.11 4.37 -0.08 -1.04 -4.34 116.55 120.89 2jps n ASP 57 Ca 0.25 -3.54 -0.16 0.00 -1.51 0.00 0.00 54.79 49.83 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 2.34 0.00 0.00 41.12 42.90 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jps n SER 58 N -0.92 1.51 -4.90 1.67 7.64 -1.26 -4.97 113.62 112.39 2jps n SER 58 Ca 0.53 -0.06 -0.28 0.00 1.01 0.00 0.00 58.87 60.07 2jps n SER 58 Cb 1.55 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 64.62 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 -2.52 4.90 0.33 0.44 0.11 -1.26 -5.01 120.40 117.38 2jps s VAL 59 Ca -0.27 0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 58.76 2jps s VAL 59 Cb 0.08 -3.83 -0.13 0.00 -1.53 0.00 0.00 36.38 30.98 2jps s VAL 59 CO 0.68 -0.72 1.12 -1.20 -3.33 0.00 0.00 175.10 171.65 2jps n SER 60 N -1.92 1.89 -0.20 3.54 7.64 -1.26 -4.84 113.62 118.47 2jps n SER 60 Ca 0.01 1.17 0.19 0.00 1.01 0.00 0.00 58.87 61.24 2jps n SER 60 Cb 0.55 -1.38 0.54 0.00 -1.01 0.00 0.00 64.21 62.91 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jps h ARG 61 N 2.15 0.35 -0.81 1.43 3.08 -1.95 -0.85 114.38 117.77 2jps h ARG 61 Ca -0.43 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.65 2jps h ARG 61 Cb 1.32 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 2jps h ARG 61 CO 0.61 0.23 0.53 -0.44 -1.07 0.00 0.00 179.97 179.83 2jps h ASP 62 N 0.36 0.82 -0.59 7.04 5.19 -1.99 -0.57 116.42 126.68 2jps h ASP 62 Ca 0.42 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.75 2jps h ASP 62 Cb 1.09 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2jps h ASP 62 CO -0.13 0.54 0.07 0.74 -3.12 0.00 0.00 179.24 177.33 2jps h THR 63 N 0.94 1.26 -0.26 0.35 2.02 -1.49 -0.80 112.91 114.94 2jps h THR 63 Ca 0.34 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2jps h THR 63 Cb 0.15 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jps h THR 63 CO -0.11 0.38 -0.09 -0.07 0.37 0.00 0.00 175.52 176.00 2jps h LEU 64 N 0.89 0.52 -1.48 2.58 4.07 -1.39 -2.85 115.31 117.66 2jps h LEU 64 Ca 0.17 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2jps h LEU 64 Cb 0.46 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 2jps h LEU 64 CO 0.02 0.79 0.34 0.00 -1.08 0.00 0.00 178.44 178.50 2jps h ALA 65 N 0.75 1.62 -0.85 1.53 0.00 -0.99 -2.13 119.26 119.19 2jps h ALA 65 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jps h ALA 65 Cb 0.57 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2jps h ALA 65 CO 0.03 0.35 0.52 -0.97 0.00 0.00 0.00 179.25 179.18 2jps h ASN 66 N 0.71 1.01 0.17 0.00 -0.00 -0.91 0.34 115.58 116.90 2jps h ASN 66 Ca 0.19 -0.06 -0.14 0.00 -0.00 0.00 0.00 56.30 56.29 2jps h ASN 66 Cb -0.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 37.98 2jps h ASN 66 CO -0.04 0.77 -0.53 0.58 -0.00 0.00 0.00 177.43 178.21 2jps h VAL 67 N 1.16 1.34 -0.22 2.57 2.07 -1.28 -2.32 116.25 119.57 2jps h VAL 67 Ca 0.31 -1.80 -0.20 0.00 0.82 0.00 0.00 66.70 65.83 2jps h VAL 67 Cb -0.06 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2jps h VAL 67 CO -0.06 0.55 -0.64 0.58 0.02 0.00 0.00 177.57 178.02 2jps h VAL 68 N 0.31 1.29 -0.70 2.57 2.07 -0.90 -3.07 116.25 117.82 2jps h VAL 68 Ca 0.01 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 2jps h VAL 68 Cb 1.04 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2jps h VAL 68 CO 0.09 0.59 0.38 -0.61 0.02 0.00 0.00 177.57 178.04 2jps h GLN 69 N 0.58 0.98 0.00 1.57 4.15 -0.22 -2.23 115.11 119.93 2jps h GLN 69 Ca -0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2jps h GLN 69 Cb 1.24 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2jps h GLN 69 CO 0.13 0.74 -0.18 0.00 -1.93 0.00 0.00 178.83 177.59 2jps h THR 70 N 0.96 1.01 -0.47 2.39 1.03 -1.41 -2.32 112.91 114.10 2jps h THR 70 Ca 0.25 -0.63 -0.11 0.00 -0.01 0.00 0.00 66.41 65.90 2jps h THR 70 Cb 0.05 1.35 -0.02 0.00 -1.07 0.00 0.00 68.15 68.46 2jps h THR 70 CO -0.04 0.17 -0.16 0.00 -0.01 0.00 0.00 175.52 175.49 2jps h ALA 71 N 1.82 0.83 -0.04 0.00 0.00 -1.31 -0.09 119.26 120.47 2jps h ALA 71 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jps h ALA 71 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jps h ALA 71 CO 0.02 0.65 0.01 0.74 0.00 0.00 0.00 179.25 180.67 2jps h PHE 72 N 0.80 0.07 -0.79 0.00 0.04 -1.26 0.86 116.94 116.67 2jps h PHE 72 Ca 0.12 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2jps h PHE 72 Cb 0.70 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 2jps h PHE 72 CO 0.04 0.28 0.44 0.74 -0.60 0.00 0.00 178.31 179.21 2jps h PHE 73 N -0.15 1.07 -0.40 -0.55 0.04 -1.42 0.16 116.94 115.69 2jps h PHE 73 Ca 0.01 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2jps h PHE 73 Cb 0.24 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2jps h PHE 73 CO 0.01 0.74 -0.17 0.00 -0.60 0.00 0.00 178.31 178.29 2jps h ALA 74 N 1.23 0.55 -0.98 2.45 0.00 -0.80 -1.11 119.26 120.60 2jps h ALA 74 Ca 0.28 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 74 Cb 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2jps h ALA 74 CO -0.05 0.48 0.65 1.25 0.00 0.00 0.00 179.25 181.59 2jps h LEU 75 N 0.62 1.11 -0.31 0.00 5.85 0.13 0.77 115.31 123.48 2jps h LEU 75 Ca 0.09 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 2jps h LEU 75 Cb 0.71 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jps h LEU 75 CO 0.05 0.79 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.50 2jps h GLU 76 N 1.31 0.80 -0.69 1.25 4.81 -0.79 -3.04 114.58 118.23 2jps h GLU 76 Ca 0.37 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2jps h GLU 76 Cb -0.11 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2jps h GLU 76 CO -0.09 1.07 0.28 0.00 -0.73 0.00 0.00 179.01 179.54 2jps h ALA 77 N 0.71 1.18 -0.84 2.92 0.00 -0.61 -2.41 119.26 120.22 2jps h ALA 77 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 77 Cb 0.95 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2jps h ALA 77 CO 0.09 0.59 0.55 -0.07 0.00 0.00 0.00 179.25 180.41 2jps h LEU 78 N 1.00 0.85 -2.00 0.00 3.38 -0.76 -0.19 115.31 117.59 2jps h LEU 78 Ca 0.23 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.29 2jps h LEU 78 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jps h LEU 78 CO -0.02 0.56 0.22 1.56 0.09 0.00 0.00 178.44 180.85 2jps h GLN 79 N 0.98 0.00 0.06 1.13 7.50 -1.33 -2.94 115.11 120.50 2jps h GLN 79 Ca 0.35 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 59.13 2jps h GLN 79 Cb 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.63 2jps h GLN 79 CO -0.12 0.00 -2.24 0.94 -1.50 0.00 0.00 178.83 175.91 2jps n GLN 80 N -4.45 0.70 0.00 1.46 -0.06 -0.44 -5.03 117.38 109.56 2jps n GLN 80 Ca 0.04 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 2jps n GLN 80 Cb 0.39 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jps n GLY 81 N 2.11 0.10 3.65 1.69 0.00 -0.21 -5.15 105.19 107.37 2jps n GLY 81 Ca -0.38 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 2.24 -0.09 1.61 2.56 -1.20 -4.94 118.70 118.88 2jps s GLU 82 Ca 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 54.97 53.46 2jps s GLU 82 Cb 0.00 -2.10 -0.02 0.00 2.00 0.00 0.00 34.13 34.00 2jps s GLU 82 CO 0.00 0.28 -0.10 -1.12 -0.56 0.00 0.00 175.26 173.76 2jps s SER 83 N -3.70 4.32 -0.21 -1.70 0.01 -1.26 -4.90 113.70 106.25 2jps s SER 83 Ca 0.33 -0.16 0.14 0.00 1.31 0.00 0.00 55.95 57.56 2jps s SER 83 Cb -0.05 -1.26 -0.23 0.00 0.21 0.00 0.00 66.02 64.69 2jps s SER 83 CO 0.20 0.28 0.03 0.00 0.41 0.00 0.00 173.24 174.17 2jps n ALA 84 N 2.74 1.48 -0.25 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 52.06 2jps n ALA 84 Cb 0.53 -0.20 0.29 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 0.88 -0.99 0.00 4.57 -1.95 -1.87 114.58 115.23 2jps h GLU 85 Ca -0.54 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.64 2jps h GLU 85 Cb 2.16 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 30.49 2jps h GLU 85 CO 0.01 0.58 0.64 -0.91 -1.18 0.00 0.00 179.01 178.15 2jps h ASN 86 N 0.90 1.04 -0.39 1.04 2.35 -2.02 -1.48 115.58 117.03 2jps h ASN 86 Ca 0.35 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.04 2jps h ASN 86 Cb 0.22 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2jps h ASN 86 CO -0.13 0.69 0.02 0.40 -1.65 0.00 0.00 177.43 176.76 2jps h ILE 87 N 1.19 1.24 -0.68 2.81 2.04 -1.57 -2.63 117.51 119.91 2jps h ILE 87 Ca 0.41 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2jps h ILE 87 Cb 0.10 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2jps h ILE 87 CO -0.15 0.34 0.43 0.58 0.00 0.00 0.00 178.15 179.35 2jps h VAL 88 N 0.72 1.19 -0.86 1.67 2.07 -1.15 -1.93 116.25 117.96 2jps h VAL 88 Ca 0.15 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 88 Cb 0.42 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 2jps h VAL 88 CO 0.02 0.19 0.51 0.77 0.02 0.00 0.00 177.57 179.07 2jps h SER 89 N 0.94 0.76 0.01 0.57 4.64 -1.23 0.76 113.55 119.99 2jps h SER 89 Ca 0.25 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.45 2jps h SER 89 Cb -0.07 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2jps h SER 89 CO -0.05 0.45 -0.52 0.11 -0.87 0.00 0.00 176.83 175.94 2jps h LYS 90 N 0.87 0.56 -0.32 4.77 1.79 -1.43 -2.78 116.57 120.03 2jps h LYS 90 Ca 0.40 -0.34 -0.17 0.00 -2.18 0.00 0.00 60.65 58.36 2jps h LYS 90 Cb 0.32 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2jps h LYS 90 CO -0.23 0.95 -0.46 0.82 -1.08 0.00 0.00 179.45 179.45 2jps h ILE 91 N 0.44 1.28 -0.79 1.86 1.08 -0.42 -2.16 117.51 118.79 2jps h ILE 91 Ca 0.01 -1.65 0.01 0.00 -0.39 0.00 0.00 64.86 62.85 2jps h ILE 91 Cb 1.06 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 2jps h ILE 91 CO 0.10 0.54 0.53 -0.09 -0.69 0.00 0.00 178.15 178.54 2jps h ARG 92 N 0.69 1.02 -0.15 2.37 9.65 0.54 0.79 114.38 129.29 2jps h ARG 92 Ca 0.04 -0.06 -0.20 0.00 -1.10 0.00 0.00 59.98 58.65 2jps h ARG 92 Cb 1.06 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2jps h ARG 92 CO 0.11 0.68 -0.72 1.98 2.80 0.00 0.00 179.97 184.82 2jps h MET 93 N 1.05 0.66 -0.08 0.20 4.05 -1.37 0.20 114.93 119.64 2jps h MET 93 Ca 0.30 -0.51 -0.22 0.00 -0.28 0.00 0.00 59.70 58.98 2jps h MET 93 Cb -0.08 0.10 0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2jps h MET 93 CO -0.07 1.13 -0.85 1.98 0.23 0.00 0.00 176.91 179.33 2jps h MET 94 N 0.46 0.60 -0.05 0.39 1.85 -0.74 -1.22 114.93 116.22 2jps h MET 94 Ca -0.03 -0.55 -0.21 0.00 -0.61 0.00 0.00 59.70 58.30 2jps h MET 94 Cb 1.32 0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.48 2jps h MET 94 CO 0.14 1.17 -0.84 -0.91 -0.40 0.00 0.00 176.91 176.07 2jps h ASN 95 N 0.39 0.55 -0.21 1.39 2.35 0.57 -2.97 115.58 117.65 2jps h ASN 95 Ca -0.07 -0.40 -0.14 0.00 -0.55 0.00 0.00 56.30 55.14 2jps h ASN 95 Cb 1.47 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 2jps h ASN 95 CO 0.16 1.18 -0.38 0.00 -1.65 0.00 0.00 177.43 176.73 2jps h ALA 96 N 0.80 0.73 -0.81 -0.83 0.00 -0.61 -2.99 119.26 115.55 2jps h ALA 96 Ca -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jps h ALA 96 Cb 1.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2jps h ALA 96 CO 0.15 0.66 0.47 0.37 0.00 0.00 0.00 179.25 180.90 2jps h GLN 97 N 0.61 1.10 -0.76 0.00 5.75 -1.20 0.84 115.11 121.45 2jps h GLN 97 Ca 0.05 -0.11 0.09 0.00 -0.15 0.00 0.00 58.65 58.53 2jps h GLN 97 Cb 0.93 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 2jps h GLN 97 CO 0.08 0.79 0.50 1.03 -2.65 0.00 0.00 178.83 178.58 2jps h SER 98 N 1.12 0.65 0.03 -0.69 0.87 -1.37 -3.15 113.55 111.00 2jps h SER 98 Ca 0.29 0.01 -0.39 0.00 -1.23 0.00 0.00 61.79 60.47 2jps h SER 98 Cb -0.02 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 2jps h SER 98 CO -0.05 0.40 -2.31 0.18 -0.53 0.00 0.00 176.83 174.51 2jps n LEU 99 N -4.49 2.65 -2.61 2.23 4.77 -0.85 -5.04 117.00 113.67 2jps n LEU 99 Ca 0.12 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2jps n LEU 99 Cb 0.30 -0.94 0.05 0.00 -2.33 0.00 0.00 43.42 40.49 2jps n LEU 99 CO 0.33 0.81 0.03 0.61 -1.33 0.00 0.00 177.39 177.84 2jps n GLY 100 N 1.97 -0.33 3.03 -0.72 0.00 0.28 -5.03 105.19 104.39 2jps n GLY 100 Ca -0.44 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.14 2.28 -0.53 1.61 0.74 -1.26 -4.88 119.66 113.48 2jps s GLN 101 Ca 0.22 -0.89 -0.18 0.00 0.05 0.00 0.00 55.36 54.56 2jps s GLN 101 Cb -0.03 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.62 2jps s GLN 101 CO 0.47 -0.39 0.64 0.45 -0.55 0.00 0.00 175.29 175.91 2jps n SER 102 N 4.64 -6.97 -3.93 6.67 2.88 -1.26 -5.03 113.62 110.62 2jps n SER 102 Ca -0.16 0.09 -0.12 0.00 -1.33 0.00 0.00 58.87 57.35 2jps n SER 102 Cb 0.47 -4.02 -0.13 0.00 -0.75 0.00 0.00 64.21 59.78 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jps s ASP 103 N -2.42 0.25 -0.44 -3.46 -1.08 -1.26 -5.09 116.67 103.17 2jps s ASP 103 Ca 0.22 -0.17 0.08 0.00 -0.52 0.00 0.00 52.55 52.15 2jps s ASP 103 Cb -0.04 0.01 0.27 0.00 -1.46 0.00 0.00 42.92 41.70 2jps s ASP 103 CO 0.81 -0.07 0.61 -0.38 0.52 0.00 0.00 175.17 176.66 2jps n ILE 104 N 2.60 0.07 -1.03 4.11 -0.00 -1.26 -5.20 119.36 118.65 2jps n ILE 104 Ca -0.16 -4.37 0.00 0.00 -0.00 0.00 0.00 62.75 58.22 2jps n ILE 104 Cb 0.58 -1.72 0.00 0.00 -0.00 0.00 0.00 39.64 38.50 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55