#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 0.94 -0.16 -0.52 0.74 -1.26 -5.10 119.66 114.30 1ida s GLN 2 Ca 0.00 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 54.80 1ida s GLN 2 Cb 0.00 -0.92 0.03 0.00 1.10 0.00 0.00 33.01 33.22 1ida s GLN 2 CO 0.00 0.24 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.82 1ida s PHE 3 N -0.62 1.98 0.75 1.67 0.40 -1.26 -5.12 117.98 115.78 1ida s PHE 3 Ca 0.03 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.06 1ida s PHE 3 Cb -0.06 -1.47 0.04 0.00 0.51 0.00 0.00 43.02 42.04 1ida s PHE 3 CO 0.00 -0.64 1.08 -1.54 0.70 0.00 0.00 175.22 174.82 1ida s SER 4 N 1.55 4.94 -0.19 1.36 1.04 -1.26 -4.96 113.70 116.17 1ida s SER 4 Ca 0.03 1.40 0.16 0.00 0.48 0.00 0.00 55.95 58.02 1ida s SER 4 Cb -0.14 -2.20 0.58 0.00 0.10 0.00 0.00 66.02 64.35 1ida s SER 4 CO -0.09 -1.70 1.48 0.18 0.98 0.00 0.00 173.24 174.09 1ida n LEU 5 N -3.27 4.21 -0.18 2.42 4.77 -1.26 -4.51 117.00 119.18 1ida n LEU 5 Ca 0.07 -3.04 -0.02 0.00 -0.03 0.00 0.00 56.01 52.99 1ida n LEU 5 Cb 0.55 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1ida n LEU 5 CO 0.56 0.69 0.99 -0.25 -1.33 0.00 0.00 177.39 178.05 1ida h TRP 6 N 2.11 0.39 -1.70 -1.77 2.91 -2.06 -3.42 115.95 112.41 1ida h TRP 6 Ca 0.01 0.03 -0.50 0.00 1.13 0.00 0.00 58.89 59.56 1ida h TRP 6 Cb 1.55 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 30.07 1ida h TRP 6 CO 0.62 0.14 -0.43 0.15 -1.03 0.00 0.00 178.44 177.89 1ida s LYS 7 N -6.12 2.60 0.19 2.65 1.02 -1.26 -5.08 119.74 113.74 1ida s LYS 7 Ca -0.13 -1.44 -0.32 0.00 0.02 0.00 0.00 55.97 54.11 1ida s LYS 7 Cb 0.15 -2.39 -0.11 0.00 -0.52 0.00 0.00 37.83 34.96 1ida s LYS 7 CO 0.74 -0.04 1.64 1.03 -0.92 0.00 0.00 175.35 177.80 1ida s ARG 8 N -4.04 4.17 -1.21 1.68 0.52 -1.26 -4.88 118.95 113.93 1ida s ARG 8 Ca 0.44 2.48 -0.21 0.00 -0.52 0.00 0.00 55.73 57.92 1ida s ARG 8 Cb -0.04 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 1ida s ARG 8 CO 0.27 -0.67 1.85 -1.25 0.02 0.00 0.00 175.30 175.52 1ida s PRO 9 N 1.12 3.06 -0.12 3.54 0.04 -1.26 -4.93 135.00 136.45 1ida s PRO 9 Ca 0.72 -1.44 -0.02 0.00 0.04 0.00 0.00 61.00 60.30 1ida s PRO 9 Cb -0.47 -5.35 -0.03 0.00 0.04 0.00 0.00 34.50 28.70 1ida s PRO 9 CO 0.32 -3.31 -0.04 0.08 0.04 0.00 0.00 177.00 174.10 1ida s VAL 10 N 8.41 3.92 0.20 -0.36 1.01 -1.26 -1.03 120.40 131.28 1ida s VAL 10 Ca 0.63 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1ida s VAL 10 Cb 0.01 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1ida s VAL 10 CO 0.10 0.54 0.06 0.68 0.00 0.00 0.00 175.10 176.49 1ida s VAL 11 N -0.13 0.41 -0.17 2.92 -7.23 0.05 -4.93 120.40 111.31 1ida s VAL 11 Ca 0.03 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1ida s VAL 11 Cb -0.13 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1ida s VAL 11 CO 0.02 -0.25 0.48 -0.89 -0.31 0.00 0.00 175.10 174.16 1ida s THR 12 N -3.85 5.15 0.14 5.32 2.01 -1.26 -0.63 115.64 122.52 1ida s THR 12 Ca 0.31 0.91 0.09 0.00 0.31 0.00 0.00 61.69 63.32 1ida s THR 12 Cb 0.07 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1ida s THR 12 CO 0.08 0.24 -0.22 0.00 -0.69 0.00 0.00 174.62 174.03 1ida s ALA 13 N 1.22 2.11 -0.19 7.40 0.00 -0.68 -4.50 121.76 127.11 1ida s ALA 13 Ca 0.24 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1ida s ALA 13 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1ida s ALA 13 CO 0.09 0.39 -0.12 0.71 0.00 0.00 0.00 175.76 176.84 1ida s TYR 14 N -1.42 2.86 -0.33 0.00 1.51 0.07 -0.10 117.35 119.93 1ida s TYR 14 Ca 0.13 -1.19 -0.05 0.00 -1.01 0.00 0.00 57.07 54.95 1ida s TYR 14 Cb -0.09 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1ida s TYR 14 CO 0.06 -0.61 0.08 0.42 -1.11 0.00 0.00 175.55 174.39 1ida s ILE 15 N 1.27 3.57 -1.41 2.71 1.01 0.25 -1.76 121.20 126.84 1ida s ILE 15 Ca 0.03 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 1ida s ILE 15 Cb -0.14 -3.04 0.04 0.00 0.01 0.00 0.00 42.46 39.33 1ida s ILE 15 CO -0.06 -0.18 0.85 -0.62 0.00 0.00 0.00 174.94 174.93 1ida n GLU 16 N 4.76 -5.33 0.00 2.79 -0.58 0.07 -1.80 120.64 120.54 1ida n GLU 16 Ca -0.12 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1ida n GLU 16 Cb 0.44 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 25.96 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 2.81 3.61 0.62 0.00 -1.26 -5.02 105.19 104.31 1ida n GLY 17 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 4.04 0.30 1.61 -0.21 -0.75 -4.99 119.66 119.60 1ida s GLN 18 Ca 0.00 0.35 -0.29 0.00 0.02 0.00 0.00 55.36 55.43 1ida s GLN 18 Cb 0.00 -3.66 -0.10 0.00 1.00 0.00 0.00 33.01 30.25 1ida s GLN 18 CO 0.00 -0.40 1.18 -1.25 -2.12 0.00 0.00 175.29 172.70 1ida s PRO 19 N 2.38 4.53 0.02 2.91 0.04 -1.26 -0.58 135.00 143.04 1ida s PRO 19 Ca 0.22 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 1ida s PRO 19 Cb -0.16 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1ida s PRO 19 CO 0.09 0.06 0.04 0.14 0.04 0.00 0.00 177.00 177.38 1ida s VAL 20 N -1.16 0.11 -0.16 -0.36 -7.23 0.85 -4.93 120.40 107.53 1ida s VAL 20 Ca 0.46 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.59 1ida s VAL 20 Cb -0.35 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1ida s VAL 20 CO 0.45 -0.50 0.29 -1.61 -0.31 0.00 0.00 175.10 173.43 1ida s GLU 21 N -1.68 4.24 0.12 4.82 0.41 -1.26 -1.69 118.70 123.65 1ida s GLU 21 Ca -0.13 0.10 0.08 0.00 -0.41 0.00 0.00 54.97 54.60 1ida s GLU 21 Cb -0.07 -3.42 -0.04 0.00 -1.78 0.00 0.00 34.13 28.82 1ida s GLU 21 CO -0.01 0.25 -0.19 0.14 -0.49 0.00 0.00 175.26 174.96 1ida s VAL 22 N 0.44 1.66 -0.14 2.63 -7.23 0.20 -4.39 120.40 113.57 1ida s VAL 22 Ca 0.17 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 1ida s VAL 22 Cb -0.13 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1ida s VAL 22 CO 0.04 -0.16 0.63 -0.22 -0.31 0.00 0.00 175.10 175.08 1ida s LEU 23 N -2.11 4.22 -0.56 1.32 2.96 0.50 -0.77 118.68 124.25 1ida s LEU 23 Ca 0.08 0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 54.68 1ida s LEU 23 Cb -0.09 -2.92 0.04 0.00 0.50 0.00 0.00 46.19 43.72 1ida s LEU 23 CO 0.05 -0.18 1.05 -0.76 -1.32 0.00 0.00 176.35 175.19 1ida s LEU 24 N 1.34 3.81 -0.30 -0.68 1.43 -0.20 -0.63 118.68 123.44 1ida s LEU 24 Ca 0.31 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1ida s LEU 24 Cb -0.16 -3.01 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1ida s LEU 24 CO 0.13 -1.33 -0.02 -0.62 0.23 0.00 0.00 176.35 174.74 1ida s ASP 25 N 2.85 4.59 0.50 2.29 -1.08 -0.24 -4.81 116.67 120.78 1ida s ASP 25 Ca 0.37 -1.79 0.32 0.00 -0.52 0.00 0.00 52.55 50.92 1ida s ASP 25 Cb -0.10 -1.57 1.34 0.00 -1.46 0.00 0.00 42.92 41.12 1ida s ASP 25 CO 0.23 -0.29 1.95 0.71 0.52 0.00 0.00 175.17 178.28 1ida h THR 26 N 6.68 0.00 -0.31 1.71 1.35 -1.94 -2.60 112.91 117.80 1ida h THR 26 Ca -0.11 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1ida h THR 26 Cb 1.03 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1ida h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1ida n GLY 27 N -0.01 0.90 3.51 5.82 0.00 -1.26 -4.81 105.19 109.34 1ida n GLY 27 Ca 0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.60 3.07 0.20 4.61 0.00 -0.98 -4.99 121.76 122.08 1ida s ALA 28 Ca 0.33 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1ida s ALA 28 Cb 0.18 -1.66 0.23 0.00 0.00 0.00 0.00 23.12 21.87 1ida s ALA 28 CO 0.26 0.14 1.53 -0.44 0.00 0.00 0.00 175.76 177.24 1ida h ASP 29 N 6.86 0.00 -2.92 0.00 3.32 -1.88 -0.33 116.42 121.46 1ida h ASP 29 Ca -0.33 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.22 1ida h ASP 29 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 1ida h ASP 29 CO 0.64 0.69 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.41 1ida s ASP 30 N -6.75 2.70 -0.10 6.45 1.01 -1.26 -4.04 116.67 114.68 1ida s ASP 30 Ca -0.00 -1.33 -0.00 0.00 0.71 0.00 0.00 52.55 51.92 1ida s ASP 30 Cb 0.12 -0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 1ida s ASP 30 CO 0.77 -0.52 -0.09 -0.44 0.21 0.00 0.00 175.17 175.10 1ida s SER 31 N -3.51 4.45 -0.02 0.27 0.01 -1.26 -3.38 113.70 110.26 1ida s SER 31 Ca 0.35 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1ida s SER 31 Cb 0.08 -1.39 0.03 0.00 0.21 0.00 0.00 66.02 64.95 1ida s SER 31 CO 0.15 0.26 0.02 -0.51 0.41 0.00 0.00 173.24 173.58 1ida s ILE 32 N -0.22 -0.03 0.04 1.44 2.07 -0.27 -1.17 121.20 123.05 1ida s ILE 32 Ca 0.02 0.19 0.05 0.00 -1.41 0.00 0.00 60.65 59.50 1ida s ILE 32 Cb -0.13 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1ida s ILE 32 CO 0.03 0.09 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.31 1ida s VAL 33 N 0.97 1.11 0.32 4.00 1.01 -0.20 -0.38 120.40 127.24 1ida s VAL 33 Ca -0.08 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1ida s VAL 33 Cb -0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1ida s VAL 33 CO -0.03 -0.00 0.06 0.00 0.00 0.00 0.00 175.10 175.13 1ida s ALA 34 N -0.87 3.32 -0.11 5.51 0.00 -1.26 -2.83 121.76 125.52 1ida s ALA 34 Ca 0.01 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1ida s ALA 34 Cb -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1ida s ALA 34 CO 0.01 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1ida n GLY 35 N -1.02 0.46 3.38 0.00 0.00 -1.26 -5.01 105.19 101.73 1ida n GLY 35 Ca -0.04 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.83 2.28 -0.23 -0.61 -4.36 -1.26 -5.10 121.20 110.09 1ida s ILE 36 Ca 0.00 -1.48 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1ida s ILE 36 Cb 0.00 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1ida s ILE 36 CO 0.00 0.27 -0.01 -0.70 0.24 0.00 0.00 174.94 174.74 1ida s GLU 37 N -1.53 3.45 0.00 0.37 -6.30 -1.26 -4.96 118.70 108.47 1ida s GLU 37 Ca 0.13 -0.58 0.17 0.00 -2.50 0.00 0.00 54.97 52.19 1ida s GLU 37 Cb -0.10 -3.10 0.08 0.00 0.00 0.00 0.00 34.13 31.02 1ida s GLU 37 CO 0.04 -0.19 0.98 1.28 0.02 0.00 0.00 175.26 177.38 1ida n LEU 38 N 4.83 2.13 0.00 2.70 4.77 -1.26 -5.09 117.00 125.08 1ida n LEU 38 Ca -0.18 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1ida n LEU 38 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ida n LEU 38 CO 0.29 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1ida n GLY 39 N 1.05 -1.27 0.03 -0.72 0.00 -1.26 -4.71 105.19 98.30 1ida n GLY 39 Ca 0.09 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.11 1ida n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ida n ASN 40 N 0.00 0.54 -4.31 1.61 6.94 -1.26 -4.68 115.26 114.10 1ida n ASN 40 Ca 0.00 -0.03 -0.44 0.00 -0.02 0.00 0.00 54.58 54.09 1ida n ASN 40 Cb 0.00 0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1ida n ASN 40 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ida n ASN 41 N -1.76 5.46 -4.01 0.53 4.13 -1.26 -4.96 115.26 113.39 1ida n ASN 41 Ca 0.05 -3.06 -0.17 0.00 1.68 0.00 0.00 54.58 53.08 1ida n ASN 41 Cb 0.38 -1.45 -0.09 0.00 -1.54 0.00 0.00 39.78 37.07 1ida n ASN 41 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1ida s TYR 42 N -0.15 1.52 -0.05 3.10 -0.85 -1.26 -4.66 117.35 114.99 1ida s TYR 42 Ca 0.37 -1.38 0.06 0.00 -0.52 0.00 0.00 57.07 55.60 1ida s TYR 42 Cb -0.04 -0.79 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 1ida s TYR 42 CO -0.02 -0.56 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.08 1ida s SER 43 N -3.32 3.12 0.02 -0.18 0.01 -0.67 -4.91 113.70 107.77 1ida s SER 43 Ca 0.37 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 1ida s SER 43 Cb 0.05 -0.76 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 1ida s SER 43 CO 0.17 0.26 1.17 -2.16 0.41 0.00 0.00 173.24 173.09 1ida s PRO 44 N -0.26 4.43 0.25 12.44 0.04 -1.26 -0.15 135.00 150.49 1ida s PRO 44 Ca -0.01 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1ida s PRO 44 Cb -0.13 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1ida s PRO 44 CO 0.03 -0.27 0.18 1.63 0.04 0.00 0.00 177.00 178.61 1ida n LYS 45 N 4.23 0.38 -4.18 4.56 5.02 -0.65 -4.92 118.16 122.61 1ida n LYS 45 Ca 0.09 -2.44 -0.18 0.00 -2.02 0.00 0.00 58.31 53.76 1ida n LYS 45 Cb 0.47 1.84 -0.12 0.00 -0.02 0.00 0.00 35.03 37.20 1ida n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ida s ILE 46 N -2.91 1.11 0.02 -0.18 -1.09 -1.26 -1.38 121.20 115.50 1ida s ILE 46 Ca 0.26 -1.39 0.02 0.00 -2.23 0.00 0.00 60.65 57.31 1ida s ILE 46 Cb 0.01 -1.15 -0.01 0.00 -1.58 0.00 0.00 42.46 39.73 1ida s ILE 46 CO 0.18 -0.29 -0.06 0.54 -1.23 0.00 0.00 174.94 174.09 1ida s VAL 47 N -1.50 0.44 0.38 2.92 0.11 -0.41 -4.90 120.40 117.43 1ida s VAL 47 Ca -0.00 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1ida s VAL 47 Cb -0.09 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1ida s VAL 47 CO 0.02 -0.11 0.12 -0.83 -3.33 0.00 0.00 175.10 170.96 1ida s GLY 48 N -0.76 2.42 0.00 6.54 0.00 -1.26 -0.59 107.32 113.67 1ida s GLY 48 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1ida s GLY 48 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1ida n GLY 49 N -0.82 1.97 3.75 0.20 0.00 0.09 -4.98 105.19 105.40 1ida n GLY 49 Ca -0.04 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1ida n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ida s ILE 50 N -0.57 2.91 0.00 -0.61 1.01 -1.26 -2.80 121.20 119.88 1ida s ILE 50 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1ida s ILE 50 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1ida s ILE 50 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1ida n GLY 51 N 1.59 1.20 0.00 6.18 0.00 -1.26 -4.91 105.19 107.99 1ida n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.33 3.42 -0.02 0.00 -1.12 -5.10 105.19 100.69 1ida n GLY 52 Ca 0.00 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.06 1.94 0.02 1.61 0.40 -1.26 -0.73 117.98 119.89 1ida s PHE 53 Ca 0.00 -0.62 -0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1ida s PHE 53 Cb 0.00 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1ida s PHE 53 CO 0.00 0.36 -0.02 0.96 0.70 0.00 0.00 175.22 177.22 1ida s ILE 54 N -2.93 0.11 0.30 0.64 -4.36 0.24 -4.99 121.20 110.20 1ida s ILE 54 Ca 0.28 -0.90 -0.29 0.00 -0.26 0.00 0.00 60.65 59.48 1ida s ILE 54 Cb 0.02 -0.28 -0.10 0.00 1.25 0.00 0.00 42.46 43.35 1ida s ILE 54 CO 0.11 -0.50 1.11 0.20 0.24 0.00 0.00 174.94 176.11 1ida s ASN 55 N -1.46 7.17 0.22 4.36 -0.87 -1.26 -1.29 114.94 121.80 1ida s ASN 55 Ca -0.16 2.29 0.00 0.00 -1.57 0.00 0.00 52.86 53.43 1ida s ASN 55 Cb -0.10 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.46 1ida s ASN 55 CO -0.01 -0.22 0.09 0.42 -2.57 0.00 0.00 177.10 174.81 1ida s THR 56 N -1.20 0.36 -0.18 1.60 -4.23 -0.48 -4.36 115.64 107.14 1ida s THR 56 Ca 0.46 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1ida s THR 56 Cb -0.32 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1ida s THR 56 CO 0.41 -0.11 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.67 1ida s LYS 57 N -4.06 2.65 -0.21 3.99 1.02 -0.39 -1.64 119.74 121.11 1ida s LYS 57 Ca 0.35 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 1ida s LYS 57 Cb 0.07 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1ida s LYS 57 CO 0.11 -0.27 0.54 -2.00 -0.92 0.00 0.00 175.35 172.81 1ida s GLU 58 N 1.34 4.17 -0.09 1.68 2.12 0.79 -0.56 118.70 128.15 1ida s GLU 58 Ca 0.03 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1ida s GLU 58 Cb -0.14 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1ida s GLU 58 CO -0.11 -0.20 -0.11 0.71 -0.54 0.00 0.00 175.26 175.00 1ida s TYR 59 N 1.81 2.81 0.10 5.30 1.51 -0.10 -1.68 117.35 127.11 1ida s TYR 59 Ca 0.24 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1ida s TYR 59 Cb -0.15 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1ida s TYR 59 CO 0.10 0.07 0.16 0.15 -1.11 0.00 0.00 175.55 174.92 1ida s LYS 60 N -0.32 3.15 -1.42 -0.62 1.02 -1.26 -1.17 119.74 119.12 1ida s LYS 60 Ca 0.03 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 1ida s LYS 60 Cb -0.13 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1ida s LYS 60 CO 0.03 0.56 1.11 0.09 -0.92 0.00 0.00 175.35 176.22 1ida n ASN 61 N 0.11 -5.73 -4.74 2.83 3.02 -1.20 -4.92 115.26 104.62 1ida n ASN 61 Ca -0.07 -0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 53.44 1ida n ASN 61 Cb 0.52 -4.63 -0.05 0.00 -0.61 0.00 0.00 39.78 35.02 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 4.23 -0.04 2.41 1.01 0.03 -4.68 120.40 120.04 1ida s VAL 62 Ca 0.60 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.30 1ida s VAL 62 Cb -0.28 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1ida s VAL 62 CO 0.77 0.39 1.00 -0.70 0.00 0.00 0.00 175.10 176.56 1ida s GLU 63 N -0.57 4.50 -0.04 2.72 2.12 -1.26 -1.85 118.70 124.31 1ida s GLU 63 Ca 0.45 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.21 1ida s GLU 63 Cb -0.25 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.66 1ida s GLU 63 CO 0.32 -0.17 -0.05 0.42 -0.54 0.00 0.00 175.26 175.23 1ida s ILE 64 N 1.44 0.60 -0.16 -3.70 1.01 -0.31 -0.75 121.20 119.33 1ida s ILE 64 Ca 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 1ida s ILE 64 Cb -0.20 -0.60 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 1ida s ILE 64 CO 0.24 0.23 -0.15 -1.61 0.00 0.00 0.00 174.94 173.66 1ida s GLU 65 N 0.81 3.23 -0.27 2.79 8.01 -0.72 -0.50 118.70 132.05 1ida s GLU 65 Ca -0.12 -0.74 -0.24 0.00 0.01 0.00 0.00 54.97 53.88 1ida s GLU 65 Cb -0.14 -2.65 0.09 0.00 -4.31 0.00 0.00 34.13 27.12 1ida s GLU 65 CO 0.01 0.01 0.82 0.54 0.01 0.00 0.00 175.26 176.64 1ida s VAL 66 N 0.85 0.00 -1.61 2.63 0.11 -0.81 -0.75 120.40 120.81 1ida s VAL 66 Ca -0.04 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.85 1ida s VAL 66 Cb -0.15 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.82 1ida s VAL 66 CO -0.01 0.00 0.86 0.18 -3.33 0.00 0.00 175.10 172.80 1ida n LEU 67 N 2.66 -2.12 -1.76 2.54 4.77 -1.26 -0.10 117.00 121.73 1ida n LEU 67 Ca -0.14 -0.91 -0.18 0.00 -0.03 0.00 0.00 56.01 54.76 1ida n LEU 67 Cb 0.56 -2.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.31 1ida n LEU 67 CO 0.02 0.38 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.06 1ida n ASN 68 N -2.75 -5.13 -4.40 -1.43 5.15 -1.26 -5.00 115.26 100.44 1ida n ASN 68 Ca 0.04 0.15 -0.20 0.00 -0.60 0.00 0.00 54.58 53.97 1ida n ASN 68 Cb 0.52 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 35.47 1ida n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ida s LYS 69 N -4.36 1.47 -0.12 1.20 1.02 0.86 -5.13 119.74 114.67 1ida s LYS 69 Ca 0.00 -1.69 0.01 0.00 0.02 0.00 0.00 55.97 54.31 1ida s LYS 69 Cb 0.00 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 1ida s LYS 69 CO 0.00 0.16 -0.14 0.21 -0.92 0.00 0.00 175.35 174.67 1ida s LYS 70 N -3.65 2.12 0.13 1.68 2.20 -1.26 -1.92 119.74 119.04 1ida s LYS 70 Ca 0.26 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1ida s LYS 70 Cb 0.00 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1ida s LYS 70 CO 0.10 -0.15 0.05 0.54 -0.36 0.00 0.00 175.35 175.52 1ida s VAL 71 N 1.27 0.17 -0.10 4.02 0.11 0.35 -5.01 120.40 121.21 1ida s VAL 71 Ca -0.01 -1.91 0.03 0.00 -2.93 0.00 0.00 61.98 57.15 1ida s VAL 71 Cb -0.14 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1ida s VAL 71 CO -0.06 -0.49 -0.18 -0.13 -3.33 0.00 0.00 175.10 170.91 1ida s ARG 72 N -4.03 2.45 0.27 1.54 0.52 -1.26 -1.17 118.95 117.28 1ida s ARG 72 Ca 0.23 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 1ida s ARG 72 Cb 0.07 -1.96 -0.00 0.00 0.52 0.00 0.00 34.95 33.58 1ida s ARG 72 CO 0.01 0.05 0.46 0.00 0.02 0.00 0.00 175.30 175.85 1ida s ALA 73 N 0.66 0.07 -0.15 2.13 0.00 -0.77 -4.78 121.76 118.93 1ida s ALA 73 Ca -0.13 -1.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 1ida s ALA 73 Cb -0.16 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1ida s ALA 73 CO 0.04 -0.82 0.76 0.99 0.00 0.00 0.00 175.76 176.72 1ida s THR 74 N -3.75 4.95 -0.02 0.00 2.01 -1.26 -0.79 115.64 116.78 1ida s THR 74 Ca 0.25 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1ida s THR 74 Cb -0.00 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1ida s THR 74 CO 0.12 0.10 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.38 1ida s ILE 75 N 1.74 1.13 0.03 1.82 1.01 -0.32 -4.53 121.20 122.09 1ida s ILE 75 Ca 0.36 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1ida s ILE 75 Cb -0.17 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1ida s ILE 75 CO 0.14 0.32 0.19 -0.04 0.00 0.00 0.00 174.94 175.55 1ida s MET 76 N -0.24 3.39 -0.02 2.79 -1.94 -0.32 -0.92 119.30 122.04 1ida s MET 76 Ca 0.04 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1ida s MET 76 Cb -0.07 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1ida s MET 76 CO -0.00 0.63 -0.17 0.95 -0.01 0.00 0.00 175.02 176.42 1ida s THR 77 N -1.42 2.83 0.00 2.05 -4.23 0.27 -1.04 115.64 114.11 1ida s THR 77 Ca 0.31 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1ida s THR 77 Cb -0.13 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1ida s THR 77 CO 0.24 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1ida n GLY 78 N 2.12 -0.25 2.56 3.99 0.00 -1.13 -1.26 105.19 111.23 1ida n GLY 78 Ca -0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1ida n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ida n ASP 79 N 0.00 6.07 -4.78 1.61 8.00 -1.26 -4.20 116.55 121.99 1ida n ASP 79 Ca 0.00 -2.51 -0.39 0.00 0.71 0.00 0.00 54.79 52.60 1ida n ASP 79 Cb 0.00 -1.33 -0.06 0.00 -0.02 0.00 0.00 41.12 39.71 1ida n ASP 79 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ida s THR 80 N 3.07 4.72 0.29 -3.53 -1.32 -1.26 -4.97 115.64 112.63 1ida s THR 80 Ca 0.54 1.39 0.19 0.00 -1.21 0.00 0.00 61.69 62.60 1ida s THR 80 Cb 0.14 -3.99 0.16 0.00 -1.51 0.00 0.00 72.50 67.29 1ida s THR 80 CO -0.03 0.47 1.84 1.55 -2.21 0.00 0.00 174.62 176.23 1ida h PRO 81 N 5.05 0.00 -4.55 7.08 0.13 -1.99 -3.44 132.00 134.27 1ida h PRO 81 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1ida h PRO 81 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1ida h PRO 81 CO 0.67 0.32 -0.75 -1.50 -0.23 0.00 0.00 178.00 176.51 1ida s ILE 82 N -3.92 0.56 0.11 -3.56 2.07 -1.26 -5.12 121.20 110.08 1ida s ILE 82 Ca -0.01 -0.75 -0.27 0.00 -1.41 0.00 0.00 60.65 58.21 1ida s ILE 82 Cb 0.13 -0.56 -0.07 0.00 0.13 0.00 0.00 42.46 42.09 1ida s ILE 82 CO 0.68 -0.15 0.83 0.20 -1.91 0.00 0.00 174.94 174.58 1ida s ASN 83 N -0.99 7.36 -0.08 4.50 0.02 -1.26 -4.87 114.94 119.62 1ida s ASN 83 Ca -0.04 1.62 0.04 0.00 -1.02 0.00 0.00 52.86 53.46 1ida s ASN 83 Cb -0.07 -2.51 -0.00 0.00 0.02 0.00 0.00 41.25 38.69 1ida s ASN 83 CO 0.00 0.07 -0.23 -0.63 0.02 0.00 0.00 177.10 176.33 1ida s ILE 84 N -0.45 1.97 -0.44 0.60 1.01 0.49 -0.37 121.20 124.01 1ida s ILE 84 Ca 0.40 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 1ida s ILE 84 Cb -0.22 -1.69 0.11 0.00 0.01 0.00 0.00 42.46 40.66 1ida s ILE 84 CO 0.26 0.54 0.28 -0.36 0.00 0.00 0.00 174.94 175.67 1ida s PHE 85 N 0.22 3.46 0.00 3.97 0.40 0.20 -1.11 117.98 125.11 1ida s PHE 85 Ca -0.14 -1.98 0.00 0.00 -0.60 0.00 0.00 56.93 54.21 1ida s PHE 85 Cb -0.16 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.06 1ida s PHE 85 CO 0.07 -0.96 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1ida n GLY 86 N 4.81 -0.67 0.36 4.36 0.00 -1.22 -1.08 105.19 111.76 1ida n GLY 86 Ca -0.07 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 0.28 -0.75 1.61 3.08 -1.17 -1.81 114.38 115.63 1ida h ARG 87 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ida h ARG 87 Cb 0.00 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 1ida h ARG 87 CO 0.00 0.19 0.42 -2.95 -1.07 0.00 0.00 179.97 176.56 1ida h ASN 88 N 0.29 0.61 0.18 7.04 -0.00 -1.83 -0.69 115.58 121.17 1ida h ASN 88 Ca 0.28 0.04 -0.28 0.00 -0.00 0.00 0.00 56.30 56.34 1ida h ASN 88 Cb 0.70 -0.08 0.02 0.00 -0.00 0.00 0.00 38.32 38.96 1ida h ASN 88 CO -0.06 0.37 -1.28 0.40 -0.00 0.00 0.00 177.43 176.86 1ida h ILE 89 N 0.74 1.25 -0.93 6.14 2.04 -1.73 -3.21 117.51 121.81 1ida h ILE 89 Ca 0.35 -2.55 0.11 0.00 1.00 0.00 0.00 64.86 63.77 1ida h ILE 89 Cb 0.26 2.98 -0.07 0.00 -0.74 0.00 0.00 36.82 39.26 1ida h ILE 89 CO -0.21 0.76 0.60 -0.07 0.00 0.00 0.00 178.15 179.23 1ida h LEU 90 N -0.14 0.82 -0.40 1.44 3.38 -1.12 -1.68 115.31 117.62 1ida h LEU 90 Ca -0.24 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1ida h LEU 90 Cb 1.89 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1ida h LEU 90 CO 0.17 0.46 -0.04 0.74 0.09 0.00 0.00 178.44 179.86 1ida h THR 91 N 0.90 1.27 -0.53 0.22 2.02 -1.24 -0.76 112.91 114.78 1ida h THR 91 Ca 0.45 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.56 1ida h THR 91 Cb 0.48 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1ida h THR 91 CO -0.21 0.37 0.35 0.00 0.37 0.00 0.00 175.52 176.40 1ida h ALA 92 N 0.86 1.70 0.00 6.16 0.00 -1.42 -1.78 119.26 124.79 1ida h ALA 92 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ida h ALA 92 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ida h ALA 92 CO 0.03 0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1ida h LEU 93 N 0.64 0.00 0.00 0.00 3.38 -1.02 -3.47 115.31 114.84 1ida h LEU 93 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ida h LEU 93 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ida h LEU 93 CO -0.05 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1ida n GLY 94 N 1.28 0.51 3.83 0.83 0.00 -0.67 -5.05 105.19 105.93 1ida n GLY 94 Ca 0.05 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1ida n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ida s MET 95 N -3.57 4.18 0.09 1.61 0.00 -0.34 -5.03 119.30 116.24 1ida s MET 95 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 55.69 56.68 1ida s MET 95 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 34.83 32.48 1ida s MET 95 CO 0.00 0.06 -0.03 -1.54 0.00 0.00 0.00 175.02 173.51 1ida s SER 96 N -2.16 0.77 -0.19 1.11 1.04 -1.26 -4.74 113.70 108.27 1ida s SER 96 Ca 0.58 -1.05 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1ida s SER 96 Cb -0.10 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1ida s SER 96 CO 0.15 -0.57 0.06 -0.76 0.98 0.00 0.00 173.24 173.11 1ida s LEU 97 N -3.01 3.79 0.10 2.42 1.43 -1.26 -5.10 118.68 117.06 1ida s LEU 97 Ca 0.13 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1ida s LEU 97 Cb 0.07 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1ida s LEU 97 CO -0.05 0.16 -0.08 0.20 0.23 0.00 0.00 176.35 176.80 1ida s ASN 98 N 0.48 1.34 0.00 2.29 0.01 -1.26 -5.30 114.94 112.49 1ida s ASN 98 Ca 0.03 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 1ida s ASN 98 Cb -0.13 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1ida s ASN 98 CO 0.01 -0.35 0.00 -0.11 -1.51 0.00 0.00 177.10 175.14