#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 3.99 -0.59 6.12 1.04 -1.26 -5.09 113.70 117.91 2jps s SER 2 Ca 0.00 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.55 2jps s SER 2 Cb 0.00 -0.50 0.24 0.00 0.10 0.00 0.00 66.02 65.86 2jps s SER 2 CO 0.00 -0.06 0.69 0.00 0.98 0.00 0.00 173.24 174.85 2jps n GLN 3 N -0.79 2.13 -0.03 4.02 1.13 -1.26 -4.87 117.38 117.71 2jps n GLN 3 Ca -0.05 -4.38 -0.20 0.00 -1.94 0.00 0.00 57.00 50.43 2jps n GLN 3 Cb 0.61 -2.06 -0.14 0.00 0.11 0.00 0.00 30.24 28.76 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jps n GLU 4 N 1.04 0.73 -0.28 -1.09 2.13 -1.26 -3.32 120.64 118.59 2jps n GLU 4 Ca 0.28 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.45 2jps n GLU 4 Cb 0.43 -1.67 0.37 0.00 0.27 0.00 0.00 31.44 30.85 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 0.05 0.68 -0.20 5.31 3.07 -2.00 0.33 115.11 122.35 2jps h GLN 5 Ca -0.46 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.04 2jps h GLN 5 Cb 2.01 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 29.42 2jps h GLN 5 CO 0.05 0.45 -0.66 1.88 0.09 0.00 0.00 178.83 180.63 2jps h TYR 6 N 0.70 1.05 -0.69 0.06 -1.99 -1.97 -2.49 116.97 111.64 2jps h TYR 6 Ca 0.46 -0.43 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.74 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.26 2jps h TYR 6 CO -0.00 1.26 0.43 1.15 -0.00 0.00 0.00 178.16 180.99 2jps h THR 7 N 0.55 1.19 -0.44 -2.88 2.02 -0.79 0.86 112.91 113.42 2jps h THR 7 Ca -0.03 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2jps h THR 7 Cb 1.29 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2jps h THR 7 CO 0.14 0.20 0.06 -0.08 0.37 0.00 0.00 175.52 176.21 2jps h GLU 8 N 0.94 0.74 -0.35 6.66 4.81 -0.48 -0.69 114.58 126.21 2jps h GLU 8 Ca 0.25 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 2jps h GLU 8 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2jps h GLU 8 CO -0.05 0.77 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.70 2jps h ASN 9 N 0.59 0.91 -0.97 1.04 4.21 -1.08 -3.01 115.58 117.27 2jps h ASN 9 Ca 0.13 -0.41 0.01 0.00 1.21 0.00 0.00 56.30 57.24 2jps h ASN 9 Cb 0.40 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 2jps h ASN 9 CO 0.01 1.19 0.64 -0.07 -1.29 0.00 0.00 177.43 177.91 2jps h LEU 10 N 0.69 1.11 -2.05 1.61 3.38 0.99 -1.43 115.31 119.62 2jps h LEU 10 Ca 0.06 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2jps h LEU 10 Cb 0.97 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2jps h LEU 10 CO 0.09 0.81 0.25 0.50 0.09 0.00 0.00 178.44 180.18 2jps h LYS 11 N 1.31 0.00 0.16 1.13 3.11 -0.99 0.84 116.57 122.14 2jps h LYS 11 Ca 0.36 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.94 2jps h LYS 11 Cb -0.15 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.09 2jps h LYS 11 CO -0.08 0.00 -1.22 0.28 -2.81 0.00 0.00 179.45 175.62 2jps h VAL 12 N 0.00 1.26 -0.10 2.00 2.07 -1.32 -2.43 116.25 117.73 2jps h VAL 12 Ca 0.15 -2.52 -0.11 0.00 0.82 0.00 0.00 66.70 65.04 2jps h VAL 12 Cb 0.66 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 2jps h VAL 12 CO -0.00 0.74 -0.45 0.40 0.02 0.00 0.00 177.57 178.28 2jps h ILE 13 N -0.21 1.32 -0.15 4.57 2.04 -0.72 -2.33 117.51 122.04 2jps h ILE 13 Ca -0.23 -1.61 -0.22 0.00 1.00 0.00 0.00 64.86 63.79 2jps h ILE 13 Cb 1.82 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2jps h ILE 13 CO 0.15 0.48 -0.77 0.58 0.00 0.00 0.00 178.15 178.59 2jps h VAL 14 N 0.20 1.28 -0.39 1.67 2.07 0.58 -3.13 116.25 118.54 2jps h VAL 14 Ca 0.01 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 2jps h VAL 14 Cb 0.87 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2jps h VAL 14 CO 0.07 0.62 0.10 0.00 0.02 0.00 0.00 177.57 178.39 2jps h ALA 15 N 0.54 1.46 -0.88 1.67 0.00 -1.32 -2.26 119.26 118.47 2jps h ALA 15 Ca -0.05 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 15 Cb 1.40 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2jps h ALA 15 CO 0.16 0.40 0.57 1.49 0.00 0.00 0.00 179.25 181.87 2jps h GLU 16 N 0.56 0.68 0.21 0.00 4.81 -1.36 0.59 114.58 120.07 2jps h GLU 16 Ca 0.13 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 16 Cb 0.20 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.45 2jps h GLU 16 CO -0.01 0.45 -1.45 -0.22 -0.73 0.00 0.00 179.01 177.05 2jps h LYS 17 N 0.70 0.43 0.27 1.92 1.63 -1.52 -2.67 116.57 117.34 2jps h LYS 17 Ca 0.44 -0.74 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 2jps h LYS 17 Cb 0.68 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2jps h LYS 17 CO -0.20 1.35 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.96 2jps h LEU 18 N 0.01 -0.31 -2.23 5.20 3.38 -0.85 -1.89 115.31 118.62 2jps h LEU 18 Ca -0.27 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jps h LEU 18 Cb 2.03 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 2jps h LEU 18 CO 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 178.44 178.75 2jps h ALA 19 N -0.04 1.71 -0.08 1.53 0.00 0.00 -2.13 119.26 120.27 2jps h ALA 19 Ca -0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2jps h ALA 19 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jps h ALA 19 CO 0.06 0.01 -0.76 0.78 0.00 0.00 0.00 179.25 179.34 2jps h GLY 20 N 0.05 0.50 -4.40 0.00 0.00 -1.19 -3.44 103.07 94.59 2jps h GLY 20 Ca -0.00 -0.72 -0.53 0.00 0.00 0.00 0.00 47.33 46.08 2jps h GLY 20 CO 0.00 0.64 0.91 -0.42 0.00 0.00 0.00 176.54 177.67 2jps s ILE 21 N -3.58 2.16 0.07 2.60 1.01 -0.73 -4.91 121.20 117.81 2jps s ILE 21 Ca -0.06 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 2jps s ILE 21 Cb 0.10 -3.08 -0.17 0.00 0.01 0.00 0.00 42.46 39.32 2jps s ILE 21 CO 0.85 0.02 1.26 1.55 0.00 0.00 0.00 174.94 178.62 2jps h PRO 22 N 5.49 0.68 -1.00 2.79 0.13 -1.86 -3.23 132.00 134.99 2jps h PRO 22 Ca -0.46 -0.57 0.07 0.00 -0.87 0.00 0.00 66.00 64.17 2jps h PRO 22 Cb 1.21 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 2jps h PRO 22 CO 0.84 1.18 0.64 -0.91 -0.23 0.00 0.00 178.00 179.53 2jps h ASN 23 N 0.35 1.02 -2.15 1.44 4.21 -1.95 -3.39 115.58 115.11 2jps h ASN 23 Ca -0.05 0.01 -0.58 0.00 1.21 0.00 0.00 56.30 56.89 2jps h ASN 23 Cb 1.33 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2jps h ASN 23 CO 0.14 0.65 1.42 -0.36 -1.29 0.00 0.00 177.43 177.99 2jps s PHE 24 N -6.02 1.29 -0.10 1.19 0.08 -1.22 -4.81 117.98 108.39 2jps s PHE 24 Ca -0.12 0.44 -0.08 0.00 0.12 0.00 0.00 56.93 57.28 2jps s PHE 24 Cb 0.20 -3.99 -0.05 0.00 -0.57 0.00 0.00 43.02 38.61 2jps s PHE 24 CO 0.81 -4.07 -0.18 -1.71 -0.10 0.00 0.00 175.22 169.97 2jps n ASN 25 N 10.94 1.22 -4.78 1.36 4.05 -1.26 -4.93 115.26 121.87 2jps n ASN 25 Ca 0.27 0.20 -0.28 0.00 0.45 0.00 0.00 54.58 55.23 2jps n ASN 25 Cb 0.45 -0.47 -0.06 0.00 1.23 0.00 0.00 39.78 40.93 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2jps s GLU 26 N -2.35 2.20 -1.40 1.20 2.12 -1.26 -4.74 118.70 114.47 2jps s GLU 26 Ca -0.18 -2.07 -0.05 0.00 0.36 0.00 0.00 54.97 53.03 2jps s GLU 26 Cb 0.05 -1.86 0.03 0.00 0.26 0.00 0.00 34.13 32.62 2jps s GLU 26 CO 0.24 -0.32 0.74 -0.25 -0.54 0.00 0.00 175.26 175.14 2jps n ASP 27 N -1.37 -2.18 -0.10 -1.70 9.92 -1.26 -4.90 116.55 114.96 2jps n ASP 27 Ca -0.07 -0.84 -0.13 0.00 -0.53 0.00 0.00 54.79 53.22 2jps n ASP 27 Cb 0.65 -3.81 -0.15 0.00 -0.64 0.00 0.00 41.12 37.18 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 -4.42 1.44 0.11 0.53 0.00 -1.26 -3.49 119.36 112.27 2jps n ILE 28 Ca -0.19 -0.76 -0.22 0.00 0.00 0.00 0.00 62.75 61.58 2jps n ILE 28 Cb 0.63 -0.81 -0.15 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 0.43 0.00 9.51 1.57 -1.98 -3.22 116.57 122.88 2jps h LYS 29 Ca -0.54 -0.73 -0.10 0.00 -1.87 0.00 0.00 60.65 57.41 2jps h LYS 29 Cb 2.13 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 34.69 2jps h LYS 29 CO -0.00 1.34 -0.48 1.88 -0.57 0.00 0.00 179.45 181.61 2jps h TYR 30 N 0.12 0.00 0.00 -1.35 0.05 -1.98 -2.99 116.97 110.82 2jps h TYR 30 Ca -0.27 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.41 2jps h TYR 30 Cb 2.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.83 2jps h TYR 30 CO 0.10 0.48 -0.47 -0.24 -1.05 0.00 0.00 178.16 176.99 2jps h VAL 31 N 0.00 1.12 -0.18 -2.88 3.04 -1.64 -3.08 116.25 112.64 2jps h VAL 31 Ca -0.00 -1.72 -0.21 0.00 -1.01 0.00 0.00 66.70 63.75 2jps h VAL 31 Cb 0.93 1.99 0.01 0.00 -2.01 0.00 0.00 31.29 32.20 2jps h VAL 31 CO 0.06 0.46 -0.70 0.00 -1.01 0.00 0.00 177.57 176.38 2jps h ALA 32 N 1.53 0.40 -0.72 3.17 0.00 -1.53 -2.13 119.26 119.98 2jps h ALA 32 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.36 2jps h ALA 32 Cb 0.95 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2jps h ALA 32 CO 0.06 0.69 0.45 0.93 0.00 0.00 0.00 179.25 181.39 2jps h GLU 33 N 0.54 0.86 -0.61 0.00 5.08 -1.50 0.13 114.58 119.09 2jps h GLU 33 Ca -0.03 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2jps h GLU 33 Cb 1.32 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jps h GLU 33 CO 0.14 0.57 0.00 -0.92 -1.00 0.00 0.00 179.01 177.81 2jps h TYR 34 N 0.89 1.17 -0.34 4.33 3.20 -1.51 0.06 116.97 124.77 2jps h TYR 34 Ca 0.29 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jps h TYR 34 Cb 0.01 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2jps h TYR 34 CO -0.04 1.03 0.22 0.82 -1.64 0.00 0.00 178.16 178.55 2jps h ILE 35 N 0.97 1.09 -0.65 1.81 2.04 -0.60 0.66 117.51 122.83 2jps h ILE 35 Ca 0.17 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jps h ILE 35 Cb 0.56 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2jps h ILE 35 CO 0.03 0.09 0.29 0.58 0.00 0.00 0.00 178.15 179.15 2jps h VAL 36 N 0.45 1.23 -0.90 1.67 2.07 -0.54 -0.41 116.25 119.82 2jps h VAL 36 Ca 0.12 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2jps h VAL 36 Cb -0.04 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2jps h VAL 36 CO -0.03 0.27 0.59 0.25 0.02 0.00 0.00 177.57 178.67 2jps h LEU 37 N 0.90 0.98 -0.70 2.57 5.85 -0.36 0.56 115.31 125.11 2jps h LEU 37 Ca 0.22 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2jps h LEU 37 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jps h LEU 37 CO -0.02 0.67 0.20 -0.07 -0.34 0.00 0.00 178.44 178.87 2jps h LEU 38 N 1.14 1.04 -0.14 2.25 3.38 -0.26 0.58 115.31 123.30 2jps h LEU 38 Ca 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jps h LEU 38 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jps h LEU 38 CO -0.12 0.99 0.03 0.40 0.09 0.00 0.00 178.44 179.83 2jps h ILE 39 N 1.04 1.21 0.00 1.22 1.08 0.45 -0.30 117.51 122.20 2jps h ILE 39 Ca 0.22 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2jps h ILE 39 Cb 0.33 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2jps h ILE 39 CO -0.00 0.19 0.00 0.55 -0.69 0.00 0.00 178.15 178.20 2jps n VAL 40 N -4.83 0.82 -0.05 1.67 3.14 0.18 -3.27 118.33 115.98 2jps n VAL 40 Ca -0.05 0.20 -0.01 0.00 -2.96 0.00 0.00 64.34 61.51 2jps n VAL 40 Cb 0.16 -1.12 -0.16 0.00 -1.06 0.00 0.00 33.84 31.67 2jps n VAL 40 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jps n ASN 41 N -2.21 0.07 0.10 6.55 3.02 0.18 -4.95 115.26 118.02 2jps n ASN 41 Ca 0.02 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2jps n ASN 41 Cb 0.24 1.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 2jps n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jps n GLY 42 N 1.53 -0.82 0.45 7.41 0.00 -0.16 -5.07 105.19 108.52 2jps n GLY 42 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.44 0.99 3.07 -0.02 0.00 -1.12 -4.99 105.19 103.57 2jps n GLY 43 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.29 2.07 0.44 2.61 -4.23 -1.26 -5.00 115.64 107.97 2jps s THR 44 Ca 0.00 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 2jps s THR 44 Cb 0.00 -2.10 0.40 0.00 1.34 0.00 0.00 72.50 72.14 2jps s THR 44 CO 0.00 0.14 1.85 0.58 -0.54 0.00 0.00 174.62 176.64 2jps h VAL 45 N 6.51 0.63 0.48 2.29 2.07 -1.96 0.88 116.25 127.15 2jps h VAL 45 Ca -0.27 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2jps h VAL 45 Cb 1.07 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2jps h VAL 45 CO 0.51 0.06 -0.23 -0.08 0.02 0.00 0.00 177.57 177.85 2jps h GLU 46 N 0.33 -0.62 -0.54 1.57 4.22 -1.98 0.41 114.58 117.98 2jps h GLU 46 Ca 0.48 0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.92 2jps h GLU 46 Cb 1.32 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 2jps h GLU 46 CO -0.17 -0.38 0.15 0.66 -2.18 0.00 0.00 179.01 177.09 2jps h SER 47 N -1.14 0.75 -0.16 1.04 4.64 -1.90 0.25 113.55 117.04 2jps h SER 47 Ca -0.07 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2jps h SER 47 Cb 0.53 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2jps h SER 47 CO 0.11 0.72 -0.02 0.58 -0.87 0.00 0.00 176.83 177.35 2jps h VAL 48 N 0.79 1.27 -0.38 0.95 2.07 0.76 -1.82 116.25 119.88 2jps h VAL 48 Ca 0.18 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 2jps h VAL 48 Cb 0.25 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2jps h VAL 48 CO -0.01 0.27 -0.25 0.58 0.02 0.00 0.00 177.57 178.19 2jps h VAL 49 N 0.02 1.27 -0.58 2.57 2.07 0.08 -2.76 116.25 118.92 2jps h VAL 49 Ca 0.04 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.20 2jps h VAL 49 Cb 0.42 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2jps h VAL 49 CO 0.01 0.46 0.38 -0.78 0.02 0.00 0.00 177.57 177.66 2jps h ASP 50 N 0.68 0.66 -0.46 0.57 3.58 -0.39 -0.27 116.42 120.79 2jps h ASP 50 Ca 0.09 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 2jps h ASP 50 Cb 0.77 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2jps h ASP 50 CO 0.06 0.48 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.45 2jps h GLU 51 N 0.78 0.93 -0.16 0.28 3.07 -1.04 -0.49 114.58 117.96 2jps h GLU 51 Ca 0.21 -0.34 -0.16 0.00 -0.50 0.00 0.00 59.36 58.58 2jps h GLU 51 Cb -0.09 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 2jps h GLU 51 CO -0.05 1.00 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.97 2jps h LEU 52 N 0.83 0.73 -1.20 1.33 -0.00 -1.29 -3.11 115.31 112.61 2jps h LEU 52 Ca 0.13 -0.60 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 2jps h LEU 52 Cb 0.66 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2jps h LEU 52 CO 0.05 1.20 0.31 0.00 -0.00 0.00 0.00 178.44 180.00 2jps h ALA 53 N 0.55 1.38 -0.69 1.53 0.00 -0.96 1.12 119.26 122.18 2jps h ALA 53 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 53 Cb 1.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2jps h ALA 53 CO 0.11 0.49 0.46 1.03 0.00 0.00 0.00 179.25 181.34 2jps h SER 54 N 0.87 0.66 0.02 0.00 0.87 -1.02 -2.74 113.55 112.21 2jps h SER 54 Ca 0.22 -0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.38 2jps h SER 54 Cb 0.07 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 2jps h SER 54 CO -0.03 0.43 -2.35 0.18 -0.53 0.00 0.00 176.83 174.53 2jps n LEU 55 N -4.47 2.57 -4.13 2.23 4.77 -0.83 -4.65 117.00 112.49 2jps n LEU 55 Ca 0.10 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.20 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2jps n LEU 55 CO 0.34 0.78 0.72 0.49 -1.33 0.00 0.00 177.39 178.39 2jps n PHE 56 N -3.65 4.13 -0.44 -1.77 3.72 0.38 -4.84 117.46 114.99 2jps n PHE 56 Ca -0.46 -3.65 0.03 0.00 -0.05 0.00 0.00 57.45 53.33 2jps n PHE 56 Cb 0.95 -1.37 0.29 0.00 -0.94 0.00 0.00 39.48 38.41 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 2.10 4.48 -0.65 4.37 -0.08 -1.04 -4.14 116.55 121.60 2jps n ASP 57 Ca 0.24 -2.74 0.08 0.00 -1.51 0.00 0.00 54.79 50.86 2jps n ASP 57 Cb 0.37 -0.65 0.09 0.00 2.34 0.00 0.00 41.12 43.27 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jps n SER 58 N 0.37 2.42 -4.60 1.67 2.88 -1.26 -4.98 113.62 110.12 2jps n SER 58 Ca 0.23 -1.69 -0.30 0.00 -1.33 0.00 0.00 58.87 55.78 2jps n SER 58 Cb 1.00 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 64.31 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jps s VAL 59 N -1.22 3.51 0.36 2.46 1.01 -1.26 -5.09 120.40 120.18 2jps s VAL 59 Ca 0.20 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 2jps s VAL 59 Cb 0.13 -2.66 -0.12 0.00 0.00 0.00 0.00 36.38 33.74 2jps s VAL 59 CO 0.19 0.09 1.30 -1.20 0.00 0.00 0.00 175.10 175.48 2jps n SER 60 N 0.61 2.78 -0.24 3.32 7.64 -1.26 -4.83 113.62 121.63 2jps n SER 60 Ca -0.13 1.18 0.16 0.00 1.01 0.00 0.00 58.87 61.10 2jps n SER 60 Cb 0.52 -1.50 0.47 0.00 -1.01 0.00 0.00 64.21 62.69 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 2.46 0.48 -0.84 1.43 -0.00 -1.98 -0.54 114.38 115.39 2jps h ARG 61 Ca -0.47 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.00 2jps h ARG 61 Cb 1.28 -0.11 -0.04 0.00 0.00 0.00 0.00 29.97 31.10 2jps h ARG 61 CO 0.62 0.32 0.55 0.22 0.00 0.00 0.00 179.97 181.68 2jps h ASP 62 N 0.50 0.94 -0.36 7.04 3.58 -1.98 0.18 116.42 126.32 2jps h ASP 62 Ca 0.46 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.79 2jps h ASP 62 Cb 1.00 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2jps h ASP 62 CO -0.19 0.67 -0.13 0.74 -2.88 0.00 0.00 179.24 177.45 2jps h THR 63 N 1.11 1.28 -0.44 2.25 2.02 -1.44 -0.11 112.91 117.58 2jps h THR 63 Ca 0.31 -1.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.13 2jps h THR 63 Cb -0.08 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2jps h THR 63 CO -0.08 0.41 -0.24 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.51 0.97 -1.01 2.58 4.07 -1.29 -2.88 115.31 118.27 2jps h LEU 64 Ca 0.08 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.55 2jps h LEU 64 Cb 0.66 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2jps h LEU 64 CO 0.04 1.17 -0.15 0.00 -1.08 0.00 0.00 178.44 178.43 2jps h ALA 65 N 0.83 1.17 -0.97 1.53 0.00 -0.57 -2.58 119.26 118.68 2jps h ALA 65 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 65 Cb 0.82 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2jps h ALA 65 CO 0.07 0.53 0.64 -0.97 0.00 0.00 0.00 179.25 179.52 2jps h ASN 66 N 0.50 1.08 -0.08 0.00 -0.73 -0.79 0.81 115.58 116.36 2jps h ASN 66 Ca 0.09 -0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.05 2jps h ASN 66 Cb 0.55 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.88 2jps h ASN 66 CO 0.03 0.75 -0.64 0.58 -0.37 0.00 0.00 177.43 177.79 2jps h VAL 67 N 1.26 1.30 -0.20 2.57 2.07 -1.37 -1.71 116.25 120.17 2jps h VAL 67 Ca 0.37 -1.87 -0.18 0.00 0.82 0.00 0.00 66.70 65.85 2jps h VAL 67 Cb -0.05 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jps h VAL 67 CO -0.10 0.59 -0.58 0.58 0.02 0.00 0.00 177.57 178.08 2jps h VAL 68 N 0.51 1.31 -0.56 2.57 2.07 -1.02 -2.79 116.25 118.34 2jps h VAL 68 Ca -0.01 -1.82 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 2jps h VAL 68 Cb 1.23 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2jps h VAL 68 CO 0.13 0.57 0.07 -0.61 0.02 0.00 0.00 177.57 177.75 2jps h GLN 69 N 0.50 0.94 -0.09 1.57 5.75 0.69 -2.69 115.11 121.78 2jps h GLN 69 Ca 0.00 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 2jps h GLN 69 Cb 1.15 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2jps h GLN 69 CO 0.12 0.91 -0.23 0.00 -2.65 0.00 0.00 178.83 176.97 2jps h THR 70 N 0.83 1.21 -0.62 2.39 1.03 -1.29 -2.56 112.91 113.90 2jps h THR 70 Ca 0.17 -0.98 -0.08 0.00 -0.01 0.00 0.00 66.41 65.50 2jps h THR 70 Cb 0.44 1.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 2jps h THR 70 CO 0.01 0.29 0.07 0.00 -0.01 0.00 0.00 175.52 175.89 2jps h ALA 71 N 1.62 0.82 -0.06 0.00 0.00 -1.20 0.10 119.26 120.54 2jps h ALA 71 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jps h ALA 71 Cb 0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jps h ALA 71 CO 0.03 0.60 0.03 0.74 0.00 0.00 0.00 179.25 180.66 2jps h PHE 72 N 0.94 0.09 -0.79 0.00 0.04 -1.22 -1.43 116.94 114.58 2jps h PHE 72 Ca 0.18 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2jps h PHE 72 Cb 0.47 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 2jps h PHE 72 CO 0.03 0.16 0.52 0.74 -0.60 0.00 0.00 178.31 179.17 2jps h PHE 73 N -0.02 0.99 -0.88 -0.55 0.04 -1.33 -1.63 116.94 113.57 2jps h PHE 73 Ca 0.02 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2jps h PHE 73 Cb 0.11 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 2jps h PHE 73 CO -0.04 0.63 0.57 0.00 -0.60 0.00 0.00 178.31 178.87 2jps h ALA 74 N 1.50 1.35 -0.95 2.45 0.00 -0.41 -1.95 119.26 121.26 2jps h ALA 74 Ca 0.29 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.24 2jps h ALA 74 Cb -0.12 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.23 2jps h ALA 74 CO -0.06 0.59 0.58 -0.07 0.00 0.00 0.00 179.25 180.29 2jps h LEU 75 N 1.20 0.85 -0.31 0.00 -0.00 -0.26 0.50 115.31 117.28 2jps h LEU 75 Ca 0.32 0.05 -0.16 0.00 -0.00 0.00 0.00 57.88 58.09 2jps h LEU 75 Cb -0.12 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.42 2jps h LEU 75 CO -0.07 0.46 -0.44 -0.08 -0.00 0.00 0.00 178.44 178.32 2jps h GLU 76 N 0.94 0.85 -0.43 1.13 4.81 -1.34 -2.18 114.58 118.35 2jps h GLU 76 Ca 0.46 -0.50 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2jps h GLU 76 Cb 0.44 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2jps h GLU 76 CO -0.26 1.14 -0.16 0.00 -0.73 0.00 0.00 179.01 179.00 2jps h ALA 77 N 0.71 0.91 -0.66 2.92 0.00 -0.63 -2.89 119.26 119.62 2jps h ALA 77 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 77 Cb 1.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2jps h ALA 77 CO 0.10 0.62 0.07 -0.07 0.00 0.00 0.00 179.25 179.98 2jps h LEU 78 N 0.72 1.08 -1.63 0.00 3.38 0.02 -2.05 115.31 116.82 2jps h LEU 78 Ca 0.11 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2jps h LEU 78 Cb 0.66 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jps h LEU 78 CO 0.05 1.08 0.29 1.56 0.09 0.00 0.00 178.44 181.51 2jps h GLN 79 N 1.03 0.47 0.18 1.13 4.20 -1.19 -2.65 115.11 118.28 2jps h GLN 79 Ca 0.20 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.57 2jps h GLN 79 Cb 0.49 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.19 2jps h GLN 79 CO 0.02 0.31 -1.31 0.37 -0.67 0.00 0.00 178.83 177.55 2jps h GLN 80 N 0.48 0.57 0.00 1.46 4.15 -1.33 -3.49 115.11 116.95 2jps h GLN 80 Ca 0.18 -0.85 0.00 0.00 0.77 0.00 0.00 58.65 58.75 2jps h GLN 80 Cb 0.11 0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2jps h GLN 80 CO -0.04 1.40 0.00 0.41 -1.93 0.00 0.00 178.83 178.66 2jps n GLY 81 N 1.54 0.65 3.76 2.39 0.00 -0.80 -5.14 105.19 107.58 2jps n GLY 81 Ca -0.15 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 2.17 -0.08 1.61 2.02 -1.21 -5.01 118.70 118.19 2jps s GLU 82 Ca 0.00 -2.22 0.02 0.00 0.02 0.00 0.00 54.97 52.79 2jps s GLU 82 Cb 0.00 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 2jps s GLU 82 CO 0.00 -0.31 -0.15 -1.12 0.02 0.00 0.00 175.26 173.70 2jps s SER 83 N -3.91 3.96 -0.19 -0.19 0.01 -1.26 -4.97 113.70 107.15 2jps s SER 83 Ca 0.20 -0.26 0.11 0.00 1.31 0.00 0.00 55.95 57.31 2jps s SER 83 Cb 0.03 -1.11 -0.23 0.00 0.21 0.00 0.00 66.02 64.92 2jps s SER 83 CO 0.11 0.28 0.09 0.00 0.41 0.00 0.00 173.24 174.12 2jps n ALA 84 N 2.77 1.44 -0.29 1.44 0.00 -1.26 -4.38 120.51 120.23 2jps n ALA 84 Ca -0.18 -1.15 0.10 0.00 0.00 0.00 0.00 53.44 52.22 2jps n ALA 84 Cb 0.52 -0.28 0.34 0.00 0.00 0.00 0.00 19.45 20.03 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 0.76 -0.75 0.00 5.08 -1.95 -0.59 114.58 117.13 2jps h GLU 85 Ca -0.52 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 2jps h GLU 85 Cb 2.11 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 2jps h GLU 85 CO 0.01 0.50 0.49 -0.91 -1.00 0.00 0.00 179.01 178.10 2jps h ASN 86 N 0.78 0.74 -0.37 1.42 2.35 -2.02 -1.44 115.58 117.06 2jps h ASN 86 Ca 0.46 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.13 2jps h ASN 86 Cb 0.63 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2jps h ASN 86 CO -0.22 0.50 -0.03 0.40 -1.65 0.00 0.00 177.43 176.43 2jps h ILE 87 N 0.86 1.24 -0.82 2.81 1.08 -1.33 -2.73 117.51 118.63 2jps h ILE 87 Ca 0.31 -1.04 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 2jps h ILE 87 Cb 0.15 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2jps h ILE 87 CO -0.10 0.36 0.54 0.58 -0.69 0.00 0.00 178.15 178.84 2jps h VAL 88 N 0.71 1.14 -0.86 1.67 2.07 -1.17 -1.74 116.25 118.07 2jps h VAL 88 Ca 0.13 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 88 Cb 0.48 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2jps h VAL 88 CO 0.02 0.19 0.53 -1.28 0.02 0.00 0.00 177.57 177.05 2jps h SER 89 N 1.02 0.83 0.12 0.57 0.87 -1.36 0.22 113.55 115.82 2jps h SER 89 Ca 0.32 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 2jps h SER 89 Cb 0.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2jps h SER 89 CO -0.09 0.53 -0.42 0.11 -0.53 0.00 0.00 176.83 176.42 2jps h LYS 90 N 0.96 0.38 -0.26 2.24 1.57 -1.38 -2.31 116.57 117.78 2jps h LYS 90 Ca 0.38 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 2jps h LYS 90 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2jps h LYS 90 CO -0.18 0.74 -0.57 0.82 -0.57 0.00 0.00 179.45 179.69 2jps h ILE 91 N 0.32 1.28 -0.68 1.86 1.08 -0.52 -0.40 117.51 120.45 2jps h ILE 91 Ca 0.03 -1.77 -0.07 0.00 -0.39 0.00 0.00 64.86 62.66 2jps h ILE 91 Cb 0.88 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2jps h ILE 91 CO 0.07 0.57 0.15 0.03 -0.69 0.00 0.00 178.15 178.28 2jps h ARG 92 N 0.62 1.09 -0.21 2.37 3.08 -0.51 0.59 114.38 121.41 2jps h ARG 92 Ca 0.01 -0.27 -0.21 0.00 0.07 0.00 0.00 59.98 59.58 2jps h ARG 92 Cb 1.17 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.09 2jps h ARG 92 CO 0.12 0.97 -0.69 1.98 -1.07 0.00 0.00 179.97 181.28 2jps h MET 93 N 1.03 0.82 -0.26 0.04 4.05 -1.36 -0.72 114.93 118.53 2jps h MET 93 Ca 0.21 -0.61 -0.16 0.00 -0.28 0.00 0.00 59.70 58.86 2jps h MET 93 Cb 0.39 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2jps h MET 93 CO 0.01 1.23 -0.49 0.52 0.23 0.00 0.00 176.91 178.41 2jps h MET 94 N 0.59 0.72 -0.29 0.39 2.86 -0.83 -2.13 114.93 116.24 2jps h MET 94 Ca -0.03 -0.42 -0.16 0.00 -2.06 0.00 0.00 59.70 57.04 2jps h MET 94 Cb 1.31 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2jps h MET 94 CO 0.15 1.04 -0.45 -0.91 1.06 0.00 0.00 176.91 177.79 2jps h ASN 95 N 0.57 0.82 -0.54 1.22 2.35 0.21 -3.03 115.58 117.18 2jps h ASN 95 Ca 0.03 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 2jps h ASN 95 Cb 1.05 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2jps h ASN 95 CO 0.10 1.15 0.08 0.00 -1.65 0.00 0.00 177.43 177.11 2jps h ALA 96 N 0.88 1.04 -0.81 -0.83 0.00 -1.05 -2.60 119.26 115.88 2jps h ALA 96 Ca 0.04 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.76 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 0.61 0.53 0.37 0.00 0.00 0.00 179.25 180.86 2jps h GLN 97 N 0.89 0.83 -0.80 0.00 4.15 -1.26 0.76 115.11 119.68 2jps h GLN 97 Ca 0.18 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.69 2jps h GLN 97 Cb 0.41 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 2jps h GLN 97 CO 0.01 0.55 0.52 0.77 -1.93 0.00 0.00 178.83 178.75 2jps h SER 98 N 0.85 0.49 0.09 -0.69 0.02 -1.40 -2.81 113.55 110.10 2jps h SER 98 Ca 0.36 0.03 -0.37 0.00 -0.84 0.00 0.00 61.79 60.96 2jps h SER 98 Cb 0.29 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2jps h SER 98 CO -0.13 0.26 -2.15 -0.11 -1.14 0.00 0.00 176.83 173.56 2jps n LEU 99 N -4.51 2.72 -1.87 5.07 -0.00 -0.53 -5.08 117.00 112.81 2jps n LEU 99 Ca 0.15 0.10 -0.02 0.00 -0.00 0.00 0.00 56.01 56.24 2jps n LEU 99 Cb 0.49 -1.04 -0.02 0.00 -0.00 0.00 0.00 43.42 42.86 2jps n LEU 99 CO 0.32 0.88 -0.23 0.61 -0.00 0.00 0.00 177.39 178.96 2jps n GLY 100 N 2.08 -3.74 2.51 -3.96 0.00 0.15 -5.05 105.19 97.17 2jps n GLY 100 Ca -0.36 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.88 0.52 -1.53 1.61 -0.21 -1.26 -4.90 119.66 113.02 2jps s GLN 101 Ca -0.10 -1.18 -0.14 0.00 0.02 0.00 0.00 55.36 53.96 2jps s GLN 101 Cb 0.01 -1.21 0.08 0.00 1.00 0.00 0.00 33.01 32.89 2jps s GLN 101 CO 0.27 -1.19 0.95 0.43 -2.12 0.00 0.00 175.29 173.64 2jps n SER 102 N 4.19 -4.85 -3.61 5.90 7.64 -1.26 -4.94 113.62 116.70 2jps n SER 102 Ca 0.10 -0.74 -0.28 0.00 1.01 0.00 0.00 58.87 58.95 2jps n SER 102 Cb 0.38 -3.87 -0.12 0.00 -1.01 0.00 0.00 64.21 59.59 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jps s ASP 103 N -3.25 3.06 0.20 6.43 2.15 -1.26 -5.11 116.67 118.89 2jps s ASP 103 Ca 0.65 -2.90 -0.05 0.00 0.43 0.00 0.00 52.55 50.68 2jps s ASP 103 Cb -0.32 -0.85 -0.03 0.00 -0.30 0.00 0.00 42.92 41.42 2jps s ASP 103 CO 0.80 -0.21 0.22 0.27 -0.17 0.00 0.00 175.17 176.08 2jps s ILE 104 N 0.07 0.02 -0.40 4.11 -4.36 -1.26 -5.02 121.20 114.37 2jps s ILE 104 Ca 0.24 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 2jps s ILE 104 Cb -0.12 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.33 2jps s ILE 104 CO -0.09 -0.10 0.60 0.00 0.24 0.00 0.00 174.94 175.59