#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ida s GLN 2 N 0.00 0.91 -0.16 -0.52 -0.21 -1.26 -5.10 119.66 113.32 1ida s GLN 2 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1ida s GLN 2 Cb 0.00 -0.88 0.02 0.00 1.00 0.00 0.00 33.01 33.15 1ida s GLN 2 CO 0.00 0.23 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.20 1ida s PHE 3 N -0.51 2.26 0.51 0.91 0.40 -1.26 -5.10 117.98 115.19 1ida s PHE 3 Ca 0.03 -1.30 -0.18 0.00 -0.60 0.00 0.00 56.93 54.88 1ida s PHE 3 Cb -0.06 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.76 1ida s PHE 3 CO 0.00 -0.69 1.00 -1.54 0.70 0.00 0.00 175.22 174.69 1ida s SER 4 N 1.46 6.51 -0.27 1.36 1.04 -1.26 -4.96 113.70 117.57 1ida s SER 4 Ca 0.05 1.68 0.11 0.00 0.48 0.00 0.00 55.95 58.27 1ida s SER 4 Cb -0.13 -2.53 0.76 0.00 0.10 0.00 0.00 66.02 64.22 1ida s SER 4 CO -0.11 -0.67 1.73 0.18 0.98 0.00 0.00 173.24 175.36 1ida n LEU 5 N -1.40 5.76 -0.13 2.42 4.77 -1.26 -4.33 117.00 122.84 1ida n LEU 5 Ca 0.07 -2.96 -0.06 0.00 -0.03 0.00 0.00 56.01 53.03 1ida n LEU 5 Cb 0.54 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1ida n LEU 5 CO 0.44 0.70 1.00 -0.25 -1.33 0.00 0.00 177.39 177.95 1ida h TRP 6 N 3.22 0.40 -1.97 -1.77 2.91 -2.05 -3.43 115.95 113.25 1ida h TRP 6 Ca 0.13 0.02 -0.50 0.00 1.13 0.00 0.00 58.89 59.67 1ida h TRP 6 Cb 2.11 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 30.60 1ida h TRP 6 CO 1.15 0.21 -0.48 0.15 -1.03 0.00 0.00 178.44 178.45 1ida s LYS 7 N -6.15 2.80 0.25 2.65 -0.14 -1.26 -5.08 119.74 112.81 1ida s LYS 7 Ca -0.13 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 52.97 1ida s LYS 7 Cb 0.12 -2.51 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 1ida s LYS 7 CO 0.72 0.20 1.45 1.03 -0.76 0.00 0.00 175.35 178.00 1ida s ARG 8 N -3.94 4.26 -1.23 1.68 0.52 -1.26 -4.87 118.95 114.10 1ida s ARG 8 Ca 0.38 2.32 -0.21 0.00 -0.52 0.00 0.00 55.73 57.70 1ida s ARG 8 Cb -0.07 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1ida s ARG 8 CO 0.26 -0.44 1.85 -1.25 0.02 0.00 0.00 175.30 175.75 1ida s PRO 9 N -0.31 3.10 -0.13 3.54 0.04 -1.26 -4.93 135.00 135.05 1ida s PRO 9 Ca 0.60 -1.51 -0.02 0.00 0.04 0.00 0.00 61.00 60.11 1ida s PRO 9 Cb -0.42 -5.37 -0.03 0.00 0.04 0.00 0.00 34.50 28.73 1ida s PRO 9 CO 0.43 -3.29 -0.05 0.08 0.04 0.00 0.00 177.00 174.21 1ida s VAL 10 N 8.27 3.81 0.26 -0.36 1.01 -1.26 -1.40 120.40 130.71 1ida s VAL 10 Ca 0.62 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1ida s VAL 10 Cb 0.01 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1ida s VAL 10 CO 0.11 0.53 0.09 0.68 0.00 0.00 0.00 175.10 176.51 1ida s VAL 11 N -0.01 0.57 -0.09 2.92 -7.23 0.18 -4.94 120.40 111.80 1ida s VAL 11 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 1ida s VAL 11 Cb -0.13 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1ida s VAL 11 CO 0.03 -0.02 0.42 -0.89 -0.31 0.00 0.00 175.10 174.33 1ida s THR 12 N -3.75 5.16 0.08 5.32 2.01 -1.26 -0.21 115.64 122.99 1ida s THR 12 Ca 0.37 0.85 0.06 0.00 0.31 0.00 0.00 61.69 63.28 1ida s THR 12 Cb 0.08 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1ida s THR 12 CO 0.13 0.41 -0.16 0.00 -0.69 0.00 0.00 174.62 174.31 1ida s ALA 13 N 0.13 1.36 -0.24 7.40 0.00 -0.33 -4.58 121.76 125.49 1ida s ALA 13 Ca 0.24 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1ida s ALA 13 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ida s ALA 13 CO 0.10 0.23 0.07 0.71 0.00 0.00 0.00 175.76 176.87 1ida s TYR 14 N -1.19 3.10 -0.39 0.00 1.51 -0.23 -0.70 117.35 119.46 1ida s TYR 14 Ca 0.01 -0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 1ida s TYR 14 Cb -0.10 -2.21 0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1ida s TYR 14 CO 0.03 -0.27 0.22 0.42 -1.11 0.00 0.00 175.55 174.84 1ida s ILE 15 N 1.39 4.29 -1.38 2.71 1.01 -0.21 -0.96 121.20 128.04 1ida s ILE 15 Ca 0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1ida s ILE 15 Cb -0.15 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1ida s ILE 15 CO 0.03 -0.36 0.74 -0.62 0.00 0.00 0.00 174.94 174.73 1ida n GLU 16 N 4.93 -4.85 -0.66 2.79 -0.58 -0.05 -1.05 120.64 121.17 1ida n GLU 16 Ca -0.11 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1ida n GLU 16 Cb 0.44 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 1ida n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ida n GLY 17 N -1.65 1.46 3.67 0.62 0.00 -1.26 -5.02 105.19 103.00 1ida n GLY 17 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1ida n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ida s GLN 18 N -0.07 4.00 0.17 1.61 -0.21 -0.22 -4.98 119.66 119.96 1ida s GLN 18 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 1ida s GLN 18 Cb 0.00 -3.26 -0.08 0.00 1.00 0.00 0.00 33.01 30.67 1ida s GLN 18 CO 0.00 0.31 1.17 -1.25 -2.12 0.00 0.00 175.29 173.40 1ida s PRO 19 N 0.28 4.51 0.01 2.91 0.04 -1.26 -1.05 135.00 140.45 1ida s PRO 19 Ca 0.05 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 1ida s PRO 19 Cb -0.12 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1ida s PRO 19 CO -0.00 -0.06 0.11 0.14 0.04 0.00 0.00 177.00 177.23 1ida s VAL 20 N -0.01 0.09 -0.16 -0.36 -7.23 0.12 -4.96 120.40 107.89 1ida s VAL 20 Ca 0.52 -0.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.75 1ida s VAL 20 Cb -0.32 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1ida s VAL 20 CO 0.36 -0.42 0.44 -0.70 -0.31 0.00 0.00 175.10 174.46 1ida s GLU 21 N -1.55 4.25 0.08 4.82 2.56 -1.26 -1.19 118.70 126.40 1ida s GLU 21 Ca -0.14 0.33 0.07 0.00 0.00 0.00 0.00 54.97 55.23 1ida s GLU 21 Cb -0.07 -3.49 -0.03 0.00 2.00 0.00 0.00 34.13 32.54 1ida s GLU 21 CO 0.01 0.04 -0.18 0.14 -0.56 0.00 0.00 175.26 174.70 1ida s VAL 22 N 1.02 1.49 -0.17 3.70 -7.23 0.71 -4.30 120.40 115.63 1ida s VAL 22 Ca 0.22 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 1ida s VAL 22 Cb -0.15 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1ida s VAL 22 CO 0.09 -0.05 0.30 -0.22 -0.31 0.00 0.00 175.10 174.91 1ida s LEU 23 N -1.66 4.23 -0.54 1.32 2.96 -0.25 -0.65 118.68 124.10 1ida s LEU 23 Ca 0.04 0.50 -0.26 0.00 -0.22 0.00 0.00 54.13 54.18 1ida s LEU 23 Cb -0.10 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1ida s LEU 23 CO 0.03 0.07 1.05 -0.76 -1.32 0.00 0.00 176.35 175.42 1ida s LEU 24 N 0.60 3.81 -0.41 -0.68 1.43 -0.50 -1.28 118.68 121.66 1ida s LEU 24 Ca 0.17 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1ida s LEU 24 Cb -0.13 -3.08 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1ida s LEU 24 CO 0.04 -1.29 0.17 -0.62 0.23 0.00 0.00 176.35 174.89 1ida s ASP 25 N 2.75 5.06 0.39 2.29 -1.08 -0.26 -4.81 116.67 121.01 1ida s ASP 25 Ca 0.38 -2.17 0.28 0.00 -0.52 0.00 0.00 52.55 50.52 1ida s ASP 25 Cb -0.10 -1.76 1.18 0.00 -1.46 0.00 0.00 42.92 40.78 1ida s ASP 25 CO 0.24 -0.47 1.83 0.71 0.52 0.00 0.00 175.17 178.00 1ida h THR 26 N 6.33 0.00 0.00 1.71 1.35 -1.93 -2.91 112.91 117.47 1ida h THR 26 Ca -0.09 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1ida h THR 26 Cb 1.03 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ida h THR 26 CO 0.64 0.00 -0.49 0.61 -0.25 0.00 0.00 175.52 176.04 1ida n GLY 27 N -0.05 -1.28 3.73 5.82 0.00 -1.26 -4.79 105.19 107.35 1ida n GLY 27 Ca 0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1ida n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ida s ALA 28 N -3.02 3.61 0.10 4.61 0.00 -1.10 -4.98 121.76 120.98 1ida s ALA 28 Ca 0.11 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.63 1ida s ALA 28 Cb 0.17 -2.35 -0.13 0.00 0.00 0.00 0.00 23.12 20.81 1ida s ALA 28 CO 0.69 0.09 1.32 -0.44 0.00 0.00 0.00 175.76 177.43 1ida h ASP 29 N 6.71 0.00 -1.63 0.00 3.32 -1.89 0.11 116.42 123.04 1ida h ASP 29 Ca -0.41 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.04 1ida h ASP 29 Cb 1.16 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 1ida h ASP 29 CO 0.76 0.92 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.83 1ida s ASP 30 N -6.69 4.10 -0.09 6.45 1.01 -1.26 -3.65 116.67 116.54 1ida s ASP 30 Ca 0.01 -1.25 0.03 0.00 0.71 0.00 0.00 52.55 52.05 1ida s ASP 30 Cb 0.10 -0.43 -0.01 0.00 1.01 0.00 0.00 42.92 43.58 1ida s ASP 30 CO 0.81 -0.49 -0.18 -0.44 0.21 0.00 0.00 175.17 175.08 1ida s SER 31 N -3.79 3.62 -0.03 0.27 0.01 -1.26 -3.39 113.70 109.13 1ida s SER 31 Ca 0.38 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1ida s SER 31 Cb 0.07 -1.24 0.03 0.00 0.21 0.00 0.00 66.02 65.10 1ida s SER 31 CO 0.20 0.22 0.06 -0.51 0.41 0.00 0.00 173.24 173.62 1ida s ILE 32 N 0.01 -0.06 0.08 1.44 2.07 -0.22 -1.26 121.20 123.27 1ida s ILE 32 Ca -0.06 0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1ida s ILE 32 Cb -0.15 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 1ida s ILE 32 CO 0.05 0.09 -0.17 0.54 -1.91 0.00 0.00 174.94 173.53 1ida s VAL 33 N 1.11 1.39 0.02 4.00 0.11 -0.14 -0.47 120.40 126.42 1ida s VAL 33 Ca -0.09 -1.35 0.08 0.00 -2.93 0.00 0.00 61.98 57.68 1ida s VAL 33 Cb -0.13 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.42 1ida s VAL 33 CO -0.04 -0.10 -0.22 0.00 -3.33 0.00 0.00 175.10 171.41 1ida s ALA 34 N -1.14 2.39 -0.49 1.54 0.00 -1.26 -2.47 121.76 120.32 1ida s ALA 34 Ca 0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1ida s ALA 34 Cb -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1ida s ALA 34 CO 0.03 0.55 0.43 0.41 0.00 0.00 0.00 175.76 177.17 1ida n GLY 35 N 1.89 0.36 2.87 0.00 0.00 -1.26 -5.01 105.19 104.03 1ida n GLY 35 Ca -0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1ida n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ida s ILE 36 N -3.12 0.07 -0.24 -0.61 -4.36 -1.26 -5.13 121.20 106.55 1ida s ILE 36 Ca 0.18 -0.01 -0.10 0.00 -0.26 0.00 0.00 60.65 60.46 1ida s ILE 36 Cb -0.08 -0.09 -0.05 0.00 1.25 0.00 0.00 42.46 43.50 1ida s ILE 36 CO 0.27 0.04 0.14 -0.70 0.24 0.00 0.00 174.94 174.92 1ida s GLU 37 N 0.17 3.99 0.00 0.37 2.56 -1.26 -4.95 118.70 119.58 1ida s GLU 37 Ca -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 54.97 54.76 1ida s GLU 37 Cb -0.03 -3.47 0.23 0.00 2.00 0.00 0.00 34.13 32.86 1ida s GLU 37 CO -0.00 0.04 1.11 1.28 -0.56 0.00 0.00 175.26 177.12 1ida n LEU 38 N 4.34 2.59 0.00 2.70 4.77 -1.26 -5.10 117.00 125.04 1ida n LEU 38 Ca -0.15 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1ida n LEU 38 Cb 0.52 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ida n LEU 38 CO 0.34 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1ida n GLY 39 N 0.65 -1.71 0.02 -0.72 0.00 -1.26 -4.76 105.19 97.41 1ida n GLY 39 Ca 0.10 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.19 1ida n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ida n ASN 40 N 0.00 0.24 -4.51 1.61 4.13 -1.26 -4.73 115.26 110.74 1ida n ASN 40 Ca 0.00 -0.15 -0.43 0.00 1.68 0.00 0.00 54.58 55.68 1ida n ASN 40 Cb 0.00 1.68 -0.01 0.00 -1.54 0.00 0.00 39.78 39.91 1ida n ASN 40 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1ida s ASN 41 N -4.30 6.79 0.15 6.41 2.47 -1.26 -4.89 114.94 120.30 1ida s ASN 41 Ca -0.04 -2.31 -0.00 0.00 0.42 0.00 0.00 52.86 50.93 1ida s ASN 41 Cb 0.14 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1ida s ASN 41 CO 0.89 -1.09 0.05 -0.72 -3.72 0.00 0.00 177.10 172.51 1ida s TYR 42 N 3.23 0.99 -0.01 0.43 -0.85 -1.26 -4.64 117.35 115.23 1ida s TYR 42 Ca 0.44 -1.20 0.03 0.00 -0.52 0.00 0.00 57.07 55.82 1ida s TYR 42 Cb -0.01 -0.55 -0.01 0.00 0.38 0.00 0.00 41.96 41.78 1ida s TYR 42 CO -0.02 -0.46 -0.11 -1.54 -1.52 0.00 0.00 175.55 171.90 1ida s SER 43 N -3.09 1.30 0.29 -0.18 1.04 -0.94 -4.91 113.70 107.20 1ida s SER 43 Ca 0.26 -0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.19 1ida s SER 43 Cb 0.07 -0.21 -0.10 0.00 0.10 0.00 0.00 66.02 65.89 1ida s SER 43 CO 0.04 0.12 1.16 -2.16 0.98 0.00 0.00 173.24 173.37 1ida s PRO 44 N -0.13 4.56 0.07 4.02 0.04 -1.26 -0.49 135.00 141.81 1ida s PRO 44 Ca 0.02 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1ida s PRO 44 Cb -0.06 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1ida s PRO 44 CO -0.00 0.09 -0.12 0.15 0.04 0.00 0.00 177.00 177.16 1ida s LYS 45 N -1.45 0.76 -0.20 4.56 -0.14 -0.21 -4.90 119.74 118.16 1ida s LYS 45 Ca 0.46 -0.96 -0.04 0.00 -1.36 0.00 0.00 55.97 54.08 1ida s LYS 45 Cb -0.34 -0.64 -0.01 0.00 -1.68 0.00 0.00 37.83 35.16 1ida s LYS 45 CO 0.44 0.13 -0.04 0.42 -0.76 0.00 0.00 175.35 175.53 1ida s ILE 46 N -1.58 3.50 -0.04 2.17 1.09 -1.26 0.13 121.20 125.21 1ida s ILE 46 Ca -0.02 -0.46 0.07 0.00 -1.10 0.00 0.00 60.65 59.13 1ida s ILE 46 Cb -0.08 -2.57 -0.01 0.00 -1.06 0.00 0.00 42.46 38.73 1ida s ILE 46 CO 0.01 0.44 -0.24 0.54 -0.10 0.00 0.00 174.94 175.60 1ida s VAL 47 N 1.15 1.92 -0.19 2.92 0.11 0.01 -4.96 120.40 121.37 1ida s VAL 47 Ca 0.02 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.96 1ida s VAL 47 Cb -0.14 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.05 1ida s VAL 47 CO -0.00 0.54 0.12 -0.83 -3.33 0.00 0.00 175.10 171.59 1ida s GLY 48 N -0.34 2.03 0.07 6.54 0.00 -1.26 0.43 107.32 114.79 1ida s GLY 48 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1ida s GLY 48 CO 0.01 0.07 0.02 0.61 0.00 0.00 0.00 173.10 173.82 1ida n GLY 49 N 3.37 3.66 0.25 0.20 0.00 0.19 -4.98 105.19 107.88 1ida n GLY 49 Ca -0.16 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.73 1ida n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ida h ILE 50 N 0.82 0.88 0.00 -0.61 2.10 -2.04 -3.20 117.51 115.46 1ida h ILE 50 Ca -0.05 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1ida h ILE 50 Cb 0.18 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1ida h ILE 50 CO 0.09 0.11 -0.81 0.61 -1.08 0.00 0.00 178.15 177.07 1ida n GLY 51 N -1.04 -0.43 0.00 8.18 0.00 -1.26 -5.09 105.19 105.55 1ida n GLY 51 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ida n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ida n GLY 52 N 1.38 -0.54 3.55 -0.02 0.00 -1.21 -5.14 105.19 103.21 1ida n GLY 52 Ca 0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1ida n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ida s PHE 53 N -3.00 2.65 0.17 1.61 0.40 -1.26 0.58 117.98 119.12 1ida s PHE 53 Ca 0.00 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1ida s PHE 53 Cb 0.00 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.12 1ida s PHE 53 CO 0.00 0.44 -0.09 0.96 0.70 0.00 0.00 175.22 177.23 1ida s ILE 54 N -1.34 1.23 -0.03 0.64 -4.36 0.17 -4.96 121.20 112.56 1ida s ILE 54 Ca 0.21 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.37 1ida s ILE 54 Cb -0.10 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.61 1ida s ILE 54 CO 0.13 -0.67 0.40 0.20 0.24 0.00 0.00 174.94 175.25 1ida s ASN 55 N -3.21 6.76 0.21 4.36 0.01 -1.26 -0.81 114.94 121.01 1ida s ASN 55 Ca 0.19 0.91 0.01 0.00 -0.71 0.00 0.00 52.86 53.26 1ida s ASN 55 Cb 0.03 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1ida s ASN 55 CO 0.03 0.27 0.07 0.42 -1.51 0.00 0.00 177.10 176.38 1ida s THR 56 N -0.76 0.47 -0.21 1.60 -4.23 0.34 -4.63 115.64 108.21 1ida s THR 56 Ca 0.23 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1ida s THR 56 Cb -0.16 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1ida s THR 56 CO 0.12 -0.19 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.42 1ida s LYS 57 N -4.02 3.36 -0.19 3.99 1.02 -0.28 -1.04 119.74 122.57 1ida s LYS 57 Ca 0.33 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 1ida s LYS 57 Cb 0.07 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1ida s LYS 57 CO 0.09 -0.18 0.42 -2.00 -0.92 0.00 0.00 175.35 172.76 1ida s GLU 58 N 1.43 4.20 -0.09 1.68 2.12 0.35 -0.46 118.70 127.93 1ida s GLU 58 Ca 0.05 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1ida s GLU 58 Cb -0.14 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 1ida s GLU 58 CO -0.04 -0.02 -0.10 0.71 -0.54 0.00 0.00 175.26 175.28 1ida s TYR 59 N 1.23 2.86 0.23 5.30 1.51 0.45 -2.21 117.35 126.72 1ida s TYR 59 Ca 0.20 -0.26 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1ida s TYR 59 Cb -0.15 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1ida s TYR 59 CO 0.08 0.08 0.17 0.15 -1.11 0.00 0.00 175.55 174.93 1ida s LYS 60 N -0.27 2.88 -1.44 -0.62 1.02 -1.26 -1.17 119.74 118.86 1ida s LYS 60 Ca 0.03 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 54.87 1ida s LYS 60 Cb -0.13 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1ida s LYS 60 CO 0.03 0.42 1.06 0.09 -0.92 0.00 0.00 175.35 176.03 1ida n ASN 61 N -0.97 -5.29 -4.74 2.83 3.02 -1.18 -4.91 115.26 104.03 1ida n ASN 61 Ca -0.08 -0.67 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1ida n ASN 61 Cb 0.57 -4.42 -0.05 0.00 -0.61 0.00 0.00 39.78 35.28 1ida n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ida s VAL 62 N -3.32 4.49 -0.18 2.41 1.01 -0.34 -4.69 120.40 119.78 1ida s VAL 62 Ca 0.59 1.96 -0.27 0.00 0.00 0.00 0.00 61.98 64.25 1ida s VAL 62 Cb -0.28 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1ida s VAL 62 CO 0.78 0.36 0.93 -1.61 0.00 0.00 0.00 175.10 175.57 1ida s GLU 63 N -0.22 4.30 -0.07 2.72 0.41 -1.26 -1.44 118.70 123.14 1ida s GLU 63 Ca 0.44 1.20 0.05 0.00 -0.41 0.00 0.00 54.97 56.25 1ida s GLU 63 Cb -0.23 -3.59 -0.01 0.00 -1.78 0.00 0.00 34.13 28.52 1ida s GLU 63 CO 0.28 -0.44 -0.23 0.42 -0.49 0.00 0.00 175.26 174.81 1ida s ILE 64 N 2.50 1.95 -0.17 -1.63 1.01 0.18 -0.87 121.20 124.17 1ida s ILE 64 Ca 0.42 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1ida s ILE 64 Cb -0.16 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.66 1ida s ILE 64 CO 0.11 0.54 -0.18 -1.61 0.00 0.00 0.00 174.94 173.80 1ida s GLU 65 N 0.06 2.79 -0.09 2.79 8.01 -0.13 -1.20 118.70 130.93 1ida s GLU 65 Ca -0.09 -0.75 -0.16 0.00 0.01 0.00 0.00 54.97 53.97 1ida s GLU 65 Cb -0.15 -2.42 0.04 0.00 -4.31 0.00 0.00 34.13 27.28 1ida s GLU 65 CO 0.05 -0.20 0.40 0.54 0.01 0.00 0.00 175.26 176.06 1ida s VAL 66 N 1.31 0.02 -1.58 2.63 0.11 0.09 -1.07 120.40 121.91 1ida s VAL 66 Ca 0.04 -0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 58.81 1ida s VAL 66 Cb -0.13 -0.63 0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1ida s VAL 66 CO -0.12 -0.10 0.51 0.18 -3.33 0.00 0.00 175.10 172.24 1ida n LEU 67 N 2.04 -1.71 -0.90 2.54 4.77 -1.26 0.26 117.00 122.74 1ida n LEU 67 Ca -0.17 -1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 54.62 1ida n LEU 67 Cb 0.57 -2.02 -0.05 0.00 -2.33 0.00 0.00 43.42 39.58 1ida n LEU 67 CO 0.17 0.36 -0.11 0.59 -1.33 0.00 0.00 177.39 177.07 1ida n ASN 68 N -2.80 -5.28 -4.48 -1.43 4.13 -1.26 -4.98 115.26 99.15 1ida n ASN 68 Ca -0.13 0.29 -0.25 0.00 1.68 0.00 0.00 54.58 56.17 1ida n ASN 68 Cb 0.59 -3.82 -0.10 0.00 -1.54 0.00 0.00 39.78 34.91 1ida n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ida s LYS 69 N -2.90 1.73 -0.11 3.52 1.02 0.14 -5.13 119.74 118.01 1ida s LYS 69 Ca 0.00 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 54.41 1ida s LYS 69 Cb 0.00 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1ida s LYS 69 CO 0.00 0.36 -0.20 0.21 -0.92 0.00 0.00 175.35 174.81 1ida s LYS 70 N -3.21 2.64 0.11 1.68 2.20 -1.26 -0.73 119.74 121.17 1ida s LYS 70 Ca 0.27 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1ida s LYS 70 Cb -0.06 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1ida s LYS 70 CO 0.14 0.04 0.04 0.14 -0.36 0.00 0.00 175.35 175.35 1ida s VAL 71 N 0.69 0.13 -0.10 4.02 -7.23 -0.35 -5.01 120.40 112.55 1ida s VAL 71 Ca -0.12 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1ida s VAL 71 Cb -0.16 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1ida s VAL 71 CO 0.02 -0.57 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.91 1ida s ARG 72 N -4.02 2.63 0.27 4.82 1.81 -1.26 -0.65 118.95 122.55 1ida s ARG 72 Ca 0.21 -0.73 -0.13 0.00 -1.72 0.00 0.00 55.73 53.36 1ida s ARG 72 Cb 0.08 -2.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.50 1ida s ARG 72 CO -0.01 0.07 0.52 0.00 -0.68 0.00 0.00 175.30 175.20 1ida s ALA 73 N 0.60 -0.27 0.05 2.13 0.00 -0.52 -4.84 121.76 118.91 1ida s ALA 73 Ca -0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 1ida s ALA 73 Cb -0.17 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1ida s ALA 73 CO 0.04 -0.87 0.79 0.99 0.00 0.00 0.00 175.76 176.70 1ida s THR 74 N -3.83 4.71 -0.02 0.00 2.01 -1.26 -1.20 115.64 116.05 1ida s THR 74 Ca 0.22 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.92 1ida s THR 74 Cb -0.01 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1ida s THR 74 CO 0.10 0.36 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.67 1ida s ILE 75 N -0.03 0.71 0.19 1.82 1.01 -0.32 -4.54 121.20 120.04 1ida s ILE 75 Ca 0.39 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1ida s ILE 75 Cb -0.21 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1ida s ILE 75 CO 0.24 0.21 0.13 -0.04 0.00 0.00 0.00 174.94 175.48 1ida s MET 76 N 0.02 2.83 -0.03 2.79 -1.94 -0.39 -0.41 119.30 122.17 1ida s MET 76 Ca -0.00 -0.96 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 1ida s MET 76 Cb -0.06 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.19 1ida s MET 76 CO -0.00 0.46 -0.20 0.99 -0.01 0.00 0.00 175.02 176.26 1ida s THR 77 N -1.86 1.60 -0.63 2.05 2.01 0.40 -0.96 115.64 118.24 1ida s THR 77 Ca 0.31 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1ida s THR 77 Cb -0.09 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.07 1ida s THR 77 CO 0.23 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1ida n GLY 78 N 2.89 -1.28 3.43 4.40 0.00 -1.03 -1.12 105.19 112.48 1ida n GLY 78 Ca -0.17 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 1ida n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ida s ASP 79 N -2.47 6.27 -0.08 1.61 1.47 -1.26 -4.23 116.67 117.97 1ida s ASP 79 Ca 0.00 -1.33 0.04 0.00 1.18 0.00 0.00 52.55 52.44 1ida s ASP 79 Cb 0.00 -2.38 -0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1ida s ASP 79 CO 0.00 -1.27 -0.23 0.28 0.68 0.00 0.00 175.17 174.63 1ida s THR 80 N 3.38 2.18 0.45 2.11 -1.32 -1.26 -5.01 115.64 116.17 1ida s THR 80 Ca 0.21 -1.00 0.23 0.00 -1.21 0.00 0.00 61.69 59.92 1ida s THR 80 Cb -0.16 -1.82 0.26 0.00 -1.51 0.00 0.00 72.50 69.26 1ida s THR 80 CO 0.05 0.56 2.07 1.55 -2.21 0.00 0.00 174.62 176.64 1ida h PRO 81 N 6.40 0.00 -4.12 7.08 0.13 -1.99 -3.43 132.00 136.07 1ida h PRO 81 Ca -0.26 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.56 1ida h PRO 81 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 1ida h PRO 81 CO 0.48 0.13 -0.75 0.42 -0.23 0.00 0.00 178.00 178.05 1ida s ILE 82 N -4.43 0.32 0.08 -3.56 1.01 -1.26 -5.12 121.20 108.25 1ida s ILE 82 Ca -0.04 -0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 1ida s ILE 82 Cb 0.14 -0.29 -0.06 0.00 0.01 0.00 0.00 42.46 42.26 1ida s ILE 82 CO 0.62 0.10 1.23 0.20 0.00 0.00 0.00 174.94 177.10 1ida s ASN 83 N 0.10 7.04 -0.05 3.58 0.01 -1.26 -4.90 114.94 119.45 1ida s ASN 83 Ca -0.01 2.09 0.05 0.00 -0.71 0.00 0.00 52.86 54.28 1ida s ASN 83 Cb -0.04 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1ida s ASN 83 CO -0.00 -0.49 -0.21 0.27 -1.51 0.00 0.00 177.10 175.16 1ida s ILE 84 N 0.93 1.72 -0.40 0.60 -5.25 0.38 -1.09 121.20 118.10 1ida s ILE 84 Ca 0.59 -0.88 -0.14 0.00 -0.99 0.00 0.00 60.65 59.23 1ida s ILE 84 Cb -0.31 -1.47 0.02 0.00 2.95 0.00 0.00 42.46 43.65 1ida s ILE 84 CO 0.30 0.49 0.28 -0.36 -1.79 0.00 0.00 174.94 173.86 1ida s PHE 85 N -0.04 3.24 0.00 1.37 0.40 -0.40 -1.05 117.98 121.49 1ida s PHE 85 Ca -0.04 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.67 1ida s PHE 85 Cb -0.13 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.85 1ida s PHE 85 CO 0.03 -0.58 0.00 0.41 0.70 0.00 0.00 175.22 175.78 1ida n GLY 86 N 5.13 1.29 0.28 4.36 0.00 -1.22 -1.10 105.19 113.93 1ida n GLY 86 Ca -0.11 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.06 1ida n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ida h ARG 87 N 0.00 0.00 -0.65 1.61 3.08 -0.88 -1.49 114.38 116.05 1ida h ARG 87 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ida h ARG 87 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ida h ARG 87 CO 0.00 0.02 0.34 -2.95 -1.07 0.00 0.00 179.97 176.32 1ida h ASN 88 N 0.00 0.83 0.11 7.04 -1.07 -1.82 0.38 115.58 121.05 1ida h ASN 88 Ca -0.00 -0.11 -0.14 0.00 0.07 0.00 0.00 56.30 56.12 1ida h ASN 88 Cb 0.06 -0.21 0.02 0.00 -2.07 0.00 0.00 38.32 36.11 1ida h ASN 88 CO 0.00 0.70 -0.62 0.40 0.07 0.00 0.00 177.43 177.99 1ida h ILE 89 N 0.90 1.58 -0.85 6.14 2.04 -1.79 -3.20 117.51 122.33 1ida h ILE 89 Ca 0.23 -2.49 0.14 0.00 1.00 0.00 0.00 64.86 63.74 1ida h ILE 89 Cb 0.07 3.25 -0.09 0.00 -0.74 0.00 0.00 36.82 39.30 1ida h ILE 89 CO -0.03 0.69 0.45 -0.07 0.00 0.00 0.00 178.15 179.19 1ida h LEU 90 N -0.53 0.57 -0.24 1.44 4.07 -1.22 -0.91 115.31 118.48 1ida h LEU 90 Ca -0.11 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1ida h LEU 90 Cb 1.48 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 1ida h LEU 90 CO 0.11 0.26 0.13 0.74 -1.08 0.00 0.00 178.44 178.60 1ida h THR 91 N 0.67 1.12 0.00 0.22 2.02 -1.02 -1.55 112.91 114.37 1ida h THR 91 Ca 0.46 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1ida h THR 91 Cb 0.60 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ida h THR 91 CO -0.34 0.12 -0.27 0.00 0.37 0.00 0.00 175.52 175.40 1ida h ALA 92 N 1.01 1.53 0.00 6.16 0.00 -1.33 -1.35 119.26 125.28 1ida h ALA 92 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ida h ALA 92 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ida h ALA 92 CO -0.01 0.33 -0.35 -0.07 0.00 0.00 0.00 179.25 179.14 1ida h LEU 93 N 0.00 0.00 -0.05 0.00 4.07 -1.02 -3.48 115.31 114.84 1ida h LEU 93 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ida h LEU 93 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1ida h LEU 93 CO 0.03 0.35 0.00 0.61 -1.08 0.00 0.00 178.44 178.36 1ida n GLY 94 N 0.51 0.62 3.86 0.83 0.00 -0.51 -5.05 105.19 105.45 1ida n GLY 94 Ca 0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1ida n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ida s MET 95 N -3.62 3.80 0.04 1.61 -1.94 -0.66 -5.04 119.30 113.50 1ida s MET 95 Ca 0.00 0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 54.76 1ida s MET 95 Cb 0.00 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 1ida s MET 95 CO 0.00 -0.33 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.12 1ida s SER 96 N -3.47 0.41 -0.23 3.03 1.04 -1.26 -4.76 113.70 108.46 1ida s SER 96 Ca 0.56 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 1ida s SER 96 Cb -0.10 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1ida s SER 96 CO 0.39 -0.54 0.12 -0.76 0.98 0.00 0.00 173.24 173.43 1ida s LEU 97 N -2.60 3.92 0.06 2.42 1.43 -1.26 -5.09 118.68 117.57 1ida s LEU 97 Ca 0.02 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1ida s LEU 97 Cb 0.04 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1ida s LEU 97 CO -0.08 0.07 -0.13 0.20 0.23 0.00 0.00 176.35 176.64 1ida s ASN 98 N 1.02 1.53 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.35 1ida s ASN 98 Ca 0.06 -0.55 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 1ida s ASN 98 Cb -0.14 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1ida s ASN 98 CO 0.04 -0.06 0.04 -0.11 -2.57 0.00 0.00 177.10 174.43