#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omy h PRO -2 N 0.00 0.44 -0.29 1.61 0.11 -1.99 -2.32 132.00 129.57 2omy h PRO -2 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2omy h PRO -2 Cb 0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 2omy h PRO -2 CO 0.00 0.29 0.17 1.25 -0.21 0.00 0.00 178.00 179.50 2omy h LEU -1 N 0.46 0.35 0.00 2.35 5.85 -1.97 -3.43 115.31 118.91 2omy h LEU -1 Ca 0.68 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.34 2omy h LEU -1 Cb 1.46 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2omy h LEU -1 CO -0.52 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 2omy n GLY 0 N -1.02 3.79 0.80 3.75 0.00 -0.87 -1.56 105.19 110.09 2omy n GLY 0 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2omy n GLY 0 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2omy n SER 1 N 6.20 3.62 -4.77 1.61 3.41 -1.26 -4.97 113.62 117.46 2omy n SER 1 Ca 0.00 -2.82 -0.39 0.00 -0.26 0.00 0.00 58.87 55.40 2omy n SER 1 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2omy n SER 1 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2omy s TRP 2 N -2.46 2.76 -0.25 7.33 0.52 -0.60 -1.42 118.94 124.80 2omy s TRP 2 Ca 0.38 1.42 -0.02 0.00 0.02 0.00 0.00 56.10 57.90 2omy s TRP 2 Cb 0.29 -3.66 0.08 0.00 -1.15 0.00 0.00 33.47 29.04 2omy s TRP 2 CO 0.10 -2.13 0.06 0.08 0.02 0.00 0.00 176.95 175.08 2omy s VAL 3 N -1.30 0.71 -0.02 4.03 1.01 -0.15 -4.93 120.40 119.75 2omy s VAL 3 Ca 0.59 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2omy s VAL 3 Cb -0.37 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2omy s VAL 3 CO 0.47 -0.44 0.03 -0.63 0.00 0.00 0.00 175.10 174.53 2omy s ILE 4 N 1.74 -0.05 0.52 2.22 1.01 -1.26 -2.53 121.20 122.85 2omy s ILE 4 Ca 0.04 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 2omy s ILE 4 Cb -0.17 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 2omy s ILE 4 CO -0.17 0.07 0.82 -2.16 0.00 0.00 0.00 174.94 173.50 2omy s PRO 5 N 0.88 3.25 0.45 2.79 0.04 -1.26 -5.05 135.00 136.09 2omy s PRO 5 Ca -0.07 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.77 2omy s PRO 5 Cb -0.11 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2omy s PRO 5 CO -0.03 -0.42 1.43 -1.25 0.04 0.00 0.00 177.00 176.78 2omy s PRO 6 N -4.83 3.70 -0.20 0.56 0.04 -1.26 -4.99 135.00 128.02 2omy s PRO 6 Ca 0.50 2.43 -0.00 0.00 0.04 0.00 0.00 61.00 63.96 2omy s PRO 6 Cb -0.10 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2omy s PRO 6 CO 0.44 -0.81 -0.15 0.42 0.04 0.00 0.00 177.00 176.95 2omy s ILE 7 N -1.20 2.48 0.01 0.56 1.01 -1.26 -5.08 121.20 117.72 2omy s ILE 7 Ca 0.61 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2omy s ILE 7 Cb -0.44 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2omy s ILE 7 CO 0.57 0.47 -0.06 -0.94 0.00 0.00 0.00 174.94 174.98 2omy s SER 8 N 1.34 0.64 -0.06 3.58 1.04 -1.26 -2.51 113.70 116.47 2omy s SER 8 Ca 0.05 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2omy s SER 8 Cb -0.14 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2omy s SER 8 CO -0.10 0.00 -0.03 0.00 0.98 0.00 0.00 173.24 174.10 2omy s PRO 10 N 1.38 2.98 0.70 0.00 0.02 -1.26 -1.99 135.00 136.83 2omy s PRO 10 Ca -0.04 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 2omy s PRO 10 Cb -0.13 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.28 2omy s PRO 10 CO -0.03 -1.29 1.06 -1.83 -0.33 0.00 0.00 177.00 174.59 2omy s GLU 11 N -3.07 2.90 -1.74 5.54 -1.05 -0.72 -4.17 118.70 116.40 2omy s GLU 11 Ca 0.75 0.84 -0.00 0.00 -0.15 0.00 0.00 54.97 56.41 2omy s GLU 11 Cb -0.39 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2omy s GLU 11 CO 0.44 -1.10 0.01 0.09 0.95 0.00 0.00 175.26 175.66 2omy n ASN 12 N -3.11 -5.81 -4.74 0.83 3.02 -0.47 -4.36 115.26 100.62 2omy n ASN 12 Ca 0.07 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 2omy n ASN 12 Cb 0.54 -4.82 0.05 0.00 -0.61 0.00 0.00 39.78 34.94 2omy n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2omy s GLU 13 N -5.03 2.95 0.35 3.52 0.41 -1.26 -5.00 118.70 114.64 2omy s GLU 13 Ca 0.01 2.13 -0.25 0.00 -0.41 0.00 0.00 54.97 56.45 2omy s GLU 13 Cb -0.00 -2.10 -0.10 0.00 -1.78 0.00 0.00 34.13 30.15 2omy s GLU 13 CO 0.01 -1.31 0.95 0.15 -0.49 0.00 0.00 175.26 174.57 2omy s LYS 14 N -3.09 4.50 0.36 1.61 1.02 -1.26 -4.75 119.74 118.12 2omy s LYS 14 Ca 0.75 1.28 -0.06 0.00 0.02 0.00 0.00 55.97 57.96 2omy s LYS 14 Cb -0.38 -2.65 0.09 0.00 -0.52 0.00 0.00 37.83 34.37 2omy s LYS 14 CO 0.43 0.20 0.30 0.41 -0.92 0.00 0.00 175.35 175.78 2omy n GLY 15 N 0.27 -2.74 3.77 -3.33 0.00 -1.26 -4.84 105.19 97.06 2omy n GLY 15 Ca 0.03 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 2omy n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2omy s PRO 16 N -3.68 4.42 0.13 1.61 0.04 -1.26 -5.14 135.00 131.12 2omy s PRO 16 Ca 0.20 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2omy s PRO 16 Cb -0.02 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 2omy s PRO 16 CO 0.15 0.06 0.33 -0.06 0.04 0.00 0.00 177.00 177.52 2omy s PHE 17 N -1.40 3.49 0.42 0.56 0.08 -1.26 -4.14 117.98 115.74 2omy s PHE 17 Ca 0.51 0.42 -0.22 0.00 0.12 0.00 0.00 56.93 57.76 2omy s PHE 17 Cb -0.27 -1.90 -0.11 0.00 -0.57 0.00 0.00 43.02 40.17 2omy s PHE 17 CO 0.34 0.47 0.96 -1.25 -0.10 0.00 0.00 175.22 175.63 2omy s PRO 18 N -2.77 4.25 -0.11 0.24 0.04 -1.26 -5.08 135.00 130.30 2omy s PRO 18 Ca 0.39 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 2omy s PRO 18 Cb -0.12 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2omy s PRO 18 CO 0.27 -0.02 0.07 0.21 0.04 0.00 0.00 177.00 177.57 2omy s LYS 19 N -3.05 3.33 0.13 4.56 2.36 -0.43 -4.92 119.74 121.72 2omy s LYS 19 Ca 0.61 -0.28 -0.30 0.00 -2.55 0.00 0.00 55.97 53.45 2omy s LYS 19 Cb -0.11 -3.03 -0.07 0.00 -1.05 0.00 0.00 37.83 33.58 2omy s LYS 19 CO 0.15 0.67 1.10 -0.80 1.55 0.00 0.00 175.35 178.02 2omy s ASN 20 N -0.77 7.26 -0.07 1.43 0.01 -1.26 -1.32 114.94 120.23 2omy s ASN 20 Ca 0.13 2.00 -0.06 0.00 -0.71 0.00 0.00 52.86 54.22 2omy s ASN 20 Cb -0.12 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 2omy s ASN 20 CO 0.03 -0.27 -0.12 0.18 -1.51 0.00 0.00 177.10 175.42 2omy n LEU 21 N 2.91 0.76 -3.91 0.60 4.77 0.28 -4.94 117.00 117.46 2omy n LEU 21 Ca 0.04 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2omy n LEU 21 Cb 0.47 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2omy n LEU 21 CO 0.54 -0.44 0.02 0.68 -1.33 0.00 0.00 177.39 176.86 2omy s VAL 22 N -1.67 0.07 -0.45 4.08 -7.23 -1.22 -5.03 120.40 108.94 2omy s VAL 22 Ca -0.10 -1.27 -0.09 0.00 -1.81 0.00 0.00 61.98 58.72 2omy s VAL 22 Cb 0.01 -1.75 0.10 0.00 0.56 0.00 0.00 36.38 35.31 2omy s VAL 22 CO 0.14 -0.30 0.31 -1.58 -0.31 0.00 0.00 175.10 173.37 2omy s GLN 23 N -3.94 2.51 0.26 4.82 0.74 -1.26 -1.18 119.66 121.61 2omy s GLN 23 Ca 0.15 -1.66 -0.30 0.00 0.05 0.00 0.00 55.36 53.60 2omy s GLN 23 Cb 0.03 -3.87 -0.10 0.00 1.10 0.00 0.00 33.01 30.17 2omy s GLN 23 CO -0.01 -1.11 1.38 0.42 -0.55 0.00 0.00 175.29 175.41 2omy s ILE 24 N 1.38 2.80 0.01 -2.34 1.01 -0.39 -4.92 121.20 118.75 2omy s ILE 24 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2omy s ILE 24 Cb -0.25 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2omy s ILE 24 CO 0.00 0.12 -0.02 -0.54 0.00 0.00 0.00 174.94 174.50 2omy s LYS 25 N -0.67 0.21 -0.10 2.79 1.02 -1.05 -4.35 119.74 117.58 2omy s LYS 25 Ca 0.56 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.23 2omy s LYS 25 Cb -0.40 -0.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 2omy s LYS 25 CO 0.45 -0.01 -0.15 0.45 -0.92 0.00 0.00 175.35 175.17 2omy s SER 26 N -0.77 2.36 0.00 2.83 0.15 -1.26 -0.97 113.70 116.03 2omy s SER 26 Ca -0.08 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.27 2omy s SER 26 Cb -0.05 -1.06 0.64 0.00 -1.71 0.00 0.00 66.02 63.85 2omy s SER 26 CO -0.00 0.02 1.14 0.59 1.20 0.00 0.00 173.24 176.19 2omy n ASN 27 N 4.13 0.00 0.25 5.45 5.03 -0.51 -1.86 115.26 127.74 2omy n ASN 27 Ca -0.19 -0.91 0.17 0.00 0.87 0.00 0.00 54.58 54.52 2omy n ASN 27 Cb 0.51 0.00 0.76 0.00 -1.02 0.00 0.00 39.78 40.04 2omy n ASN 27 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2omy h LYS 28 N 0.00 0.00 0.00 3.52 1.79 -1.92 -2.57 116.57 117.38 2omy h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2omy h LYS 28 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2omy h LYS 28 CO 0.00 0.00 0.07 0.38 -1.08 0.00 0.00 179.45 178.82 2omy h ASP 29 N 0.00 0.00 1.35 0.86 3.04 -1.51 -1.56 116.42 118.59 2omy h ASP 29 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2omy h ASP 29 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.59 2omy h ASP 29 CO 0.00 0.00 0.00 0.11 -2.04 0.00 0.00 179.24 177.31 2omy h LYS 30 N 0.00 0.00 0.00 4.15 1.79 -1.72 -3.30 116.57 117.48 2omy h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2omy h LYS 30 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2omy h LYS 30 CO 0.00 0.00 -1.59 0.39 -1.08 0.00 0.00 179.45 177.17 2omy n GLU 31 N -2.74 0.51 0.00 3.15 1.02 -0.60 -5.07 120.64 116.91 2omy n GLU 31 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2omy n GLU 31 Cb 0.38 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2omy n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2omy n GLY 32 N 1.30 0.47 3.75 0.62 0.00 -1.18 -5.14 105.19 105.01 2omy n GLY 32 Ca -0.02 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2omy n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2omy s LYS 33 N -2.00 4.37 0.06 1.61 -2.85 -1.26 -4.04 119.74 115.63 2omy s LYS 33 Ca 0.00 2.12 0.09 0.00 -1.00 0.00 0.00 55.97 57.18 2omy s LYS 33 Cb 0.00 -3.15 -0.03 0.00 -2.06 0.00 0.00 37.83 32.59 2omy s LYS 33 CO 0.00 -0.25 -0.24 0.08 0.10 0.00 0.00 175.35 175.04 2omy s VAL 34 N -0.24 1.98 -0.13 1.79 1.01 -1.26 -2.66 120.40 120.89 2omy s VAL 34 Ca 0.55 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2omy s VAL 34 Cb -0.38 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2omy s VAL 34 CO 0.42 0.25 -0.21 -0.36 0.00 0.00 0.00 175.10 175.21 2omy s PHE 35 N -0.86 2.50 -0.03 5.22 0.08 -0.12 -4.75 117.98 120.03 2omy s PHE 35 Ca 0.10 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.91 2omy s PHE 35 Cb -0.10 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2omy s PHE 35 CO 0.03 -0.55 0.18 0.71 -0.10 0.00 0.00 175.22 175.49 2omy s TYR 36 N 0.76 3.56 0.10 0.36 2.02 0.16 -1.76 117.35 122.55 2omy s TYR 36 Ca -0.09 0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 56.93 2omy s TYR 36 Cb -0.16 -1.86 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2omy s TYR 36 CO 0.00 0.66 0.21 -1.54 -1.57 0.00 0.00 175.55 173.31 2omy s SER 37 N -1.74 0.10 0.03 2.29 1.04 -0.80 -4.19 113.70 110.44 2omy s SER 37 Ca 0.25 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2omy s SER 37 Cb -0.13 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2omy s SER 37 CO 0.16 -0.75 -0.13 0.27 0.98 0.00 0.00 173.24 173.76 2omy s ILE 38 N -3.87 1.06 0.28 -1.02 -4.36 -1.26 -0.56 121.20 111.46 2omy s ILE 38 Ca 0.06 -0.90 0.03 0.00 -0.26 0.00 0.00 60.65 59.59 2omy s ILE 38 Cb 0.05 -0.95 -0.06 0.00 1.25 0.00 0.00 42.46 42.75 2omy s ILE 38 CO -0.10 0.05 0.05 0.42 0.24 0.00 0.00 174.94 175.60 2omy s THR 39 N -0.74 0.99 0.00 8.37 -4.23 -0.73 -4.62 115.64 114.68 2omy s THR 39 Ca 0.02 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2omy s THR 39 Cb -0.07 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2omy s THR 39 CO 0.01 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2omy n GLY 40 N -0.54 -1.45 3.65 3.99 0.00 -1.26 -1.07 105.19 108.51 2omy n GLY 40 Ca -0.03 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2omy n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2omy s GLN 41 N 0.00 4.00 0.00 1.61 2.00 -0.98 -1.36 119.66 124.92 2omy s GLN 41 Ca 0.00 2.38 0.00 0.00 -2.00 0.00 0.00 55.36 55.74 2omy s GLN 41 Cb 0.00 -4.14 0.00 0.00 0.80 0.00 0.00 33.01 29.67 2omy s GLN 41 CO 0.00 -1.10 0.00 0.41 -0.50 0.00 0.00 175.29 174.10 2omy n GLY 42 N 4.62 0.96 0.02 2.59 0.00 -0.85 -4.17 105.19 108.35 2omy n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2omy n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omy n ALA 43 N -0.93 1.63 0.46 4.61 0.00 -0.47 -1.11 120.51 124.71 2omy n ALA 43 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2omy n ALA 43 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2omy n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2omy n ASP 44 N -1.13 1.97 -4.39 0.00 5.75 -0.78 -0.88 116.55 117.10 2omy n ASP 44 Ca 0.00 -1.48 -0.26 0.00 -0.01 0.00 0.00 54.79 53.04 2omy n ASP 44 Cb 0.00 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 2omy n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2omy s THR 45 N -0.95 2.16 0.29 2.12 -4.23 -0.78 -4.90 115.64 109.36 2omy s THR 45 Ca 0.13 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.43 2omy s THR 45 Cb 0.10 -1.99 -0.13 0.00 1.34 0.00 0.00 72.50 71.82 2omy s THR 45 CO 0.14 -0.12 1.36 -2.65 -0.54 0.00 0.00 174.62 172.81 2omy n PRO 46 N 0.45 2.12 -2.47 3.99 -0.02 -1.26 -2.01 135.00 135.80 2omy n PRO 46 Ca -0.14 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 2omy n PRO 46 Cb 0.55 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 2omy n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2omy s PRO 47 N -1.16 4.14 0.32 0.52 0.04 -1.26 -3.90 135.00 133.70 2omy s PRO 47 Ca 0.61 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2omy s PRO 47 Cb -0.60 -3.78 -0.10 0.00 0.04 0.00 0.00 34.50 30.06 2omy s PRO 47 CO 0.56 -0.82 1.38 0.14 0.04 0.00 0.00 177.00 178.30 2omy s VAL 48 N 3.71 2.57 -0.39 -0.36 -7.23 -1.22 -3.47 120.40 114.01 2omy s VAL 48 Ca 0.53 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 2omy s VAL 48 Cb -0.19 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.41 2omy s VAL 48 CO 0.16 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2omy n GLY 49 N 1.15 0.62 0.33 2.32 0.00 -0.05 -4.89 105.19 104.67 2omy n GLY 49 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 2omy n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2omy h VAL 50 N 0.00 1.26 -4.07 1.61 2.07 -1.25 -3.42 116.25 112.44 2omy h VAL 50 Ca -0.08 -0.85 -0.69 0.00 0.82 0.00 0.00 66.70 65.90 2omy h VAL 50 Cb 0.46 0.41 -0.27 0.00 -1.52 0.00 0.00 31.29 30.37 2omy h VAL 50 CO 0.11 0.34 -0.82 -0.36 0.02 0.00 0.00 177.57 176.86 2omy s PHE 51 N -5.45 2.57 0.10 1.57 0.08 -0.26 -0.91 117.98 115.68 2omy s PHE 51 Ca -0.12 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.56 2omy s PHE 51 Cb 0.16 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2omy s PHE 51 CO 0.84 -0.00 -0.10 0.96 -0.10 0.00 0.00 175.22 176.81 2omy s ILE 52 N -0.44 0.97 -0.01 0.64 -4.36 -0.73 -4.41 121.20 112.86 2omy s ILE 52 Ca 0.05 -1.70 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 2omy s ILE 52 Cb -0.12 -1.44 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2omy s ILE 52 CO 0.02 -0.59 -0.19 -0.51 0.24 0.00 0.00 174.94 173.90 2omy s ILE 53 N -2.58 1.54 -0.33 8.37 2.07 -1.26 -0.40 121.20 128.61 2omy s ILE 53 Ca 0.07 -0.87 -0.26 0.00 -1.41 0.00 0.00 60.65 58.18 2omy s ILE 53 Cb -0.02 -1.29 0.01 0.00 0.13 0.00 0.00 42.46 41.29 2omy s ILE 53 CO -0.00 0.40 0.90 -0.70 -1.91 0.00 0.00 174.94 173.63 2omy s GLU 54 N -0.55 3.96 0.23 3.50 2.12 -0.58 -4.94 118.70 122.44 2omy s GLU 54 Ca 0.07 0.72 -0.07 0.00 0.36 0.00 0.00 54.97 56.05 2omy s GLU 54 Cb -0.08 -3.75 0.39 0.00 0.26 0.00 0.00 34.13 30.96 2omy s GLU 54 CO -0.00 -0.81 1.69 -0.09 -0.54 0.00 0.00 175.26 175.51 2omy h ARG 55 N 8.20 0.26 0.02 4.30 2.43 -1.91 -0.82 114.38 126.84 2omy h ARG 55 Ca -0.23 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.68 2omy h ARG 55 Cb 1.08 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2omy h ARG 55 CO 0.95 0.17 -1.01 1.05 -1.51 0.00 0.00 179.97 179.62 2omy h GLU 56 N 0.26 0.48 0.00 0.20 9.09 -1.86 0.48 114.58 123.23 2omy h GLU 56 Ca 0.37 -0.54 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2omy h GLU 56 Cb 0.61 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2omy h GLU 56 CO -0.47 1.18 -1.38 0.25 0.05 0.00 0.00 179.01 178.64 2omy n THR 57 N -3.76 0.00 -0.97 -1.06 -2.24 -1.18 -4.96 114.28 100.12 2omy n THR 57 Ca -0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2omy n THR 57 Cb 0.87 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2omy n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2omy n GLY 58 N 1.46 0.38 3.62 3.38 0.00 -0.32 -4.77 105.19 108.95 2omy n GLY 58 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2omy n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2omy s TRP 59 N -1.89 1.91 -0.19 1.61 0.52 -1.25 -1.26 118.94 118.39 2omy s TRP 59 Ca 0.00 0.47 -0.24 0.00 0.02 0.00 0.00 56.10 56.36 2omy s TRP 59 Cb 0.00 -4.02 -0.02 0.00 -1.15 0.00 0.00 33.47 28.28 2omy s TRP 59 CO 0.00 -3.26 0.77 -1.17 0.02 0.00 0.00 176.95 173.32 2omy s LEU 60 N 5.69 4.15 0.17 2.99 2.96 -0.32 -1.53 118.68 132.79 2omy s LEU 60 Ca 0.77 1.06 0.09 0.00 -0.22 0.00 0.00 54.13 55.82 2omy s LEU 60 Cb -0.27 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2omy s LEU 60 CO 0.31 -0.38 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.24 2omy s LYS 61 N 2.19 1.31 -0.13 1.98 1.02 0.47 -0.56 119.74 126.01 2omy s LYS 61 Ca 0.35 -1.43 -0.02 0.00 0.02 0.00 0.00 55.97 54.88 2omy s LYS 61 Cb -0.16 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 2omy s LYS 61 CO 0.11 0.28 -0.05 0.54 -0.92 0.00 0.00 175.35 175.31 2omy s VAL 62 N -2.08 3.80 -0.90 3.17 0.11 -0.43 -1.77 120.40 122.31 2omy s VAL 62 Ca 0.17 -0.40 0.23 0.00 -2.93 0.00 0.00 61.98 59.04 2omy s VAL 62 Cb -0.06 -2.63 -0.12 0.00 -1.53 0.00 0.00 36.38 32.04 2omy s VAL 62 CO 0.07 0.52 1.11 0.35 -3.33 0.00 0.00 175.10 173.82 2omy n THR 63 N 3.20 0.04 -3.65 5.04 -2.24 -0.09 -1.31 114.28 115.27 2omy n THR 63 Ca -0.18 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2omy n THR 63 Cb 0.53 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 2omy n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2omy s GLU 64 N -3.05 1.31 0.55 -0.78 -1.05 -1.26 -4.66 118.70 109.75 2omy s GLU 64 Ca 0.08 -0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 53.94 2omy s GLU 64 Cb 0.16 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.33 2omy s GLU 64 CO 0.79 -0.55 1.28 -2.14 0.95 0.00 0.00 175.26 175.59 2omy s PRO 65 N -3.83 3.16 0.28 -4.83 0.02 -1.26 -5.00 135.00 123.54 2omy s PRO 65 Ca 0.06 2.04 0.06 0.00 0.02 0.00 0.00 61.00 63.18 2omy s PRO 65 Cb -0.01 -2.17 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 2omy s PRO 65 CO -0.07 -1.11 0.37 -0.51 -0.33 0.00 0.00 177.00 175.35 2omy s LEU 66 N -3.63 4.11 -0.26 -5.54 1.43 -1.26 -4.88 118.68 108.66 2omy s LEU 66 Ca 0.72 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2omy s LEU 66 Cb -0.36 -2.73 0.09 0.00 0.03 0.00 0.00 46.19 43.22 2omy s LEU 66 CO 0.41 -0.19 0.11 -0.62 0.23 0.00 0.00 176.35 176.29 2omy s ASP 67 N -4.02 3.28 0.32 2.29 2.15 -1.26 -1.37 116.67 118.06 2omy s ASP 67 Ca 0.38 -1.14 0.10 0.00 0.43 0.00 0.00 52.55 52.32 2omy s ASP 67 Cb -0.09 -0.43 0.90 0.00 -0.30 0.00 0.00 42.92 43.00 2omy s ASP 67 CO 0.29 -0.40 1.72 -0.09 -0.17 0.00 0.00 175.17 176.52 2omy h ARG 68 N 8.35 0.55 0.00 4.34 2.43 -1.89 -1.01 114.38 127.14 2omy h ARG 68 Ca -0.17 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 2omy h ARG 68 Cb 1.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2omy h ARG 68 CO 0.40 0.36 -0.22 0.93 -1.51 0.00 0.00 179.97 179.93 2omy h GLU 69 N 0.56 0.00 0.00 0.20 3.07 -1.97 -2.87 114.58 113.57 2omy h GLU 69 Ca 0.65 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.39 2omy h GLU 69 Cb 1.26 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 2omy h GLU 69 CO -0.48 0.22 -0.76 -0.09 -1.40 0.00 0.00 179.01 176.51 2omy h ARG 70 N 0.00 0.00 -3.56 2.33 2.43 -1.65 -3.45 114.38 110.47 2omy h ARG 70 Ca -0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 2omy h ARG 70 Cb 0.69 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 29.86 2omy h ARG 70 CO 0.03 0.77 -0.76 0.42 -1.51 0.00 0.00 179.97 178.92 2omy s ILE 71 N -2.25 0.19 -0.14 1.20 1.01 -0.73 -5.04 121.20 115.44 2omy s ILE 71 Ca -0.22 0.23 0.19 0.00 0.00 0.00 0.00 60.65 60.85 2omy s ILE 71 Cb 0.03 -0.38 -0.15 0.00 0.01 0.00 0.00 42.46 41.97 2omy s ILE 71 CO 0.51 0.22 0.73 0.00 0.00 0.00 0.00 174.94 176.40 2omy n ALA 72 N 5.13 2.19 -3.70 9.38 0.00 -1.08 -4.00 120.51 128.42 2omy n ALA 72 Ca -0.07 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 2omy n ALA 72 Cb 0.50 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2omy n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2omy s THR 73 N -3.09 -0.11 -0.12 0.00 2.01 -1.26 -1.35 115.64 111.71 2omy s THR 73 Ca -0.04 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2omy s THR 73 Cb 0.10 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 2omy s THR 73 CO 0.83 0.05 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.42 2omy s TYR 74 N 1.55 2.92 -0.41 4.92 1.51 -0.72 -4.97 117.35 122.16 2omy s TYR 74 Ca -0.08 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 2omy s TYR 74 Cb -0.09 -1.85 0.09 0.00 -0.11 0.00 0.00 41.96 39.99 2omy s TYR 74 CO -0.12 -0.00 0.22 0.99 -1.11 0.00 0.00 175.55 175.53 2omy s THR 75 N 0.05 3.85 0.50 -0.71 2.01 -1.26 -1.10 115.64 118.99 2omy s THR 75 Ca -0.02 -1.59 0.03 0.00 0.31 0.00 0.00 61.69 60.42 2omy s THR 75 Cb -0.14 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2omy s THR 75 CO 0.03 -0.53 0.21 0.00 -0.69 0.00 0.00 174.62 173.65 2omy n LEU 76 N 4.80 0.00 -3.81 4.42 -0.00 -0.81 -2.32 117.00 119.28 2omy n LEU 76 Ca -0.08 -2.86 -0.14 0.00 -0.00 0.00 0.00 56.01 52.93 2omy n LEU 76 Cb 0.42 0.13 -0.15 0.00 -0.00 0.00 0.00 43.42 43.82 2omy n LEU 76 CO 0.36 -0.51 -0.36 -0.36 -0.00 0.00 0.00 177.39 176.53 2omy s PHE 77 N -2.66 0.04 0.02 1.47 0.40 -0.23 -1.72 117.98 115.31 2omy s PHE 77 Ca 0.16 0.07 -0.06 0.00 -0.60 0.00 0.00 56.93 56.50 2omy s PHE 77 Cb -0.01 -0.16 -0.05 0.00 0.51 0.00 0.00 43.02 43.31 2omy s PHE 77 CO 0.10 -0.06 0.27 -1.54 0.70 0.00 0.00 175.22 174.69 2omy s SER 78 N 0.65 6.48 0.06 1.36 1.04 -0.30 -1.78 113.70 121.21 2omy s SER 78 Ca -0.05 0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.97 2omy s SER 78 Cb -0.08 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.93 2omy s SER 78 CO -0.02 0.24 -0.14 -1.00 0.98 0.00 0.00 173.24 173.30 2omy s HIS 79 N -1.33 1.23 -0.07 5.02 3.76 0.27 -1.64 115.29 122.52 2omy s HIS 79 Ca 0.29 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2omy s HIS 79 Cb -0.13 -0.71 0.03 0.00 1.11 0.00 0.00 32.58 32.88 2omy s HIS 79 CO 0.17 0.05 -0.01 0.00 -0.85 0.00 0.00 174.74 174.10 2omy s ALA 80 N -1.07 0.76 0.00 -1.40 0.00 -1.26 -1.91 121.76 116.89 2omy s ALA 80 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2omy s ALA 80 Cb -0.09 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2omy s ALA 80 CO 0.02 -0.42 -0.18 0.14 0.00 0.00 0.00 175.76 175.33 2omy s VAL 81 N 1.85 1.40 0.89 0.00 -7.23 -0.72 -1.46 120.40 115.14 2omy s VAL 81 Ca 0.04 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 2omy s VAL 81 Cb -0.12 -1.18 0.13 0.00 0.56 0.00 0.00 36.38 35.76 2omy s VAL 81 CO -0.05 0.33 1.16 -0.94 -0.31 0.00 0.00 175.10 175.28 2omy s SER 82 N -0.60 3.70 0.00 4.85 1.04 0.25 -0.94 113.70 122.00 2omy s SER 82 Ca 0.06 0.87 0.17 0.00 0.48 0.00 0.00 55.95 57.53 2omy s SER 82 Cb -0.07 -1.38 0.72 0.00 0.10 0.00 0.00 66.02 65.39 2omy s SER 82 CO -0.00 -2.42 1.54 -1.54 0.98 0.00 0.00 173.24 171.79 2omy n SER 83 N -3.67 0.00 -1.90 7.02 3.41 -1.09 -2.49 113.62 114.90 2omy n SER 83 Ca 0.08 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 2omy n SER 83 Cb 0.60 -0.49 0.40 0.00 -0.26 0.00 0.00 64.21 64.46 2omy n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2omy n ASN 84 N -1.49 5.74 -0.03 4.04 3.02 -1.26 -4.98 115.26 120.30 2omy n ASN 84 Ca 0.04 -2.94 -0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2omy n ASN 84 Cb 0.19 -0.69 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 2omy n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omy n GLY 85 N 0.61 0.35 3.69 7.41 0.00 -1.04 -5.04 105.19 111.17 2omy n GLY 85 Ca 0.28 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2omy n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2omy s ASN 86 N -2.04 5.19 0.15 1.61 0.02 -1.26 -4.87 114.94 113.75 2omy s ASN 86 Ca 0.00 0.03 -0.31 0.00 -1.02 0.00 0.00 52.86 51.55 2omy s ASN 86 Cb 0.00 -1.39 -0.09 0.00 0.02 0.00 0.00 41.25 39.79 2omy s ASN 86 CO 0.00 0.29 1.51 0.00 0.02 0.00 0.00 177.10 178.92 2omy s ALA 87 N -1.07 3.71 -1.10 0.60 0.00 -1.26 -0.59 121.76 122.05 2omy s ALA 87 Ca 0.19 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.66 2omy s ALA 87 Cb -0.12 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.25 2omy s ALA 87 CO 0.10 -0.73 0.95 1.33 0.00 0.00 0.00 175.76 177.41 2omy n VAL 88 N 3.88 0.00 -4.02 0.00 0.24 -0.53 -4.88 118.33 113.03 2omy n VAL 88 Ca 0.13 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 2omy n VAL 88 Cb 0.40 0.97 -0.10 0.00 -1.47 0.00 0.00 33.84 33.64 2omy n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2omy s GLU 89 N -2.95 0.59 0.12 7.34 0.41 -1.24 -4.87 118.70 118.11 2omy s GLU 89 Ca 0.09 -1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 2omy s GLU 89 Cb 0.16 0.22 -0.06 0.00 -1.78 0.00 0.00 34.13 32.67 2omy s GLU 89 CO 0.83 -0.13 0.98 -0.51 -0.49 0.00 0.00 175.26 175.94 2omy s ASP 90 N -2.57 7.48 0.21 -0.19 1.01 -1.26 -4.69 116.67 116.65 2omy s ASP 90 Ca 0.02 1.83 -0.32 0.00 0.71 0.00 0.00 52.55 54.79 2omy s ASP 90 Cb 0.04 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.23 2omy s ASP 90 CO -0.08 -0.07 1.35 -2.65 0.21 0.00 0.00 175.17 173.92 2omy n PRO 91 N 2.70 1.76 -3.85 8.23 -0.02 -1.26 -4.97 135.00 137.60 2omy n PRO 91 Ca 0.02 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 2omy n PRO 91 Cb 0.49 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 2omy n PRO 91 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2omy s MET 92 N -0.27 3.93 0.11 -0.52 1.75 -0.65 -4.90 119.30 118.74 2omy s MET 92 Ca 0.71 -0.35 -0.31 0.00 -1.25 0.00 0.00 55.69 54.49 2omy s MET 92 Cb -0.72 -3.34 -0.07 0.00 2.84 0.00 0.00 34.83 33.54 2omy s MET 92 CO 0.49 0.10 1.28 -2.00 -0.65 0.00 0.00 175.02 174.25 2omy s GLU 93 N 0.86 4.39 -0.12 4.11 2.12 -1.26 -1.15 118.70 127.66 2omy s GLU 93 Ca 0.05 1.92 0.01 0.00 0.36 0.00 0.00 54.97 57.31 2omy s GLU 93 Cb -0.13 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2omy s GLU 93 CO 0.03 -0.31 -0.16 0.42 -0.54 0.00 0.00 175.26 174.70 2omy s ILE 94 N 0.88 1.55 -0.28 -3.70 1.01 -0.70 -4.95 121.20 115.02 2omy s ILE 94 Ca 0.60 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 2omy s ILE 94 Cb -0.33 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2omy s ILE 94 CO 0.31 0.45 0.15 -0.22 0.00 0.00 0.00 174.94 175.64 2omy s LEU 95 N 1.07 3.87 -0.26 2.97 1.98 -1.26 -1.92 118.68 125.13 2omy s LEU 95 Ca -0.04 -0.13 -0.10 0.00 -2.89 0.00 0.00 54.13 50.97 2omy s LEU 95 Cb -0.15 -2.05 -0.05 0.00 0.66 0.00 0.00 46.19 44.61 2omy s LEU 95 CO -0.03 -0.06 0.15 -0.63 -1.89 0.00 0.00 176.35 173.89 2omy s ILE 96 N 1.70 5.14 -0.16 6.68 1.01 -0.26 -4.42 121.20 130.90 2omy s ILE 96 Ca 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 2omy s ILE 96 Cb -0.16 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2omy s ILE 96 CO 0.08 0.31 0.09 -0.89 0.00 0.00 0.00 174.94 174.53 2omy s THR 97 N 1.43 5.08 -0.17 2.92 2.01 -1.05 -1.76 115.64 124.11 2omy s THR 97 Ca 0.07 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.96 2omy s THR 97 Cb -0.15 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2omy s THR 97 CO 0.07 0.51 0.43 -0.69 -0.69 0.00 0.00 174.62 174.26 2omy s VAL 98 N -0.15 5.19 0.52 3.82 1.01 -0.46 -1.54 120.40 128.80 2omy s VAL 98 Ca 0.09 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.93 2omy s VAL 98 Cb -0.12 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2omy s VAL 98 CO 0.01 0.28 0.31 0.42 0.00 0.00 0.00 175.10 176.12 2omy s THR 99 N 1.02 1.63 0.27 3.92 -4.23 -0.84 -4.91 115.64 112.51 2omy s THR 99 Ca 0.22 -1.60 -0.20 0.00 -1.18 0.00 0.00 61.69 58.92 2omy s THR 99 Cb -0.15 -2.23 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 2omy s THR 99 CO 0.08 0.00 0.79 -1.81 -0.54 0.00 0.00 174.62 173.14 2omy s ASP 100 N -4.17 7.07 0.00 3.99 1.11 -1.26 -1.75 116.67 121.66 2omy s ASP 100 Ca 0.29 1.51 0.00 0.00 0.18 0.00 0.00 52.55 54.53 2omy s ASP 100 Cb -0.01 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.52 2omy s ASP 100 CO 0.18 -0.05 0.00 0.00 1.18 0.00 0.00 175.17 176.48