#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwd s ILE 2 N 0.00 1.36 0.12 1.12 1.01 -1.26 -5.10 121.20 118.45 1fwd s ILE 2 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 60.65 59.69 1fwd s ILE 2 Cb 0.00 -1.37 -0.15 0.00 0.01 0.00 0.00 42.46 40.95 1fwd s ILE 2 CO 0.00 0.32 1.49 -2.65 0.00 0.00 0.00 174.94 174.11 1fwd n PRO 3 N 4.82 1.76 -1.69 2.79 -0.02 -1.26 -2.22 135.00 139.18 1fwd n PRO 3 Ca -0.14 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 1fwd n PRO 3 Cb 0.49 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1fwd n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwd n GLY 4 N 3.10 1.42 3.76 -1.23 0.00 -1.26 -4.97 105.19 106.01 1fwd n GLY 4 Ca 0.18 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1fwd n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwd s GLU 5 N -3.84 2.85 0.25 1.61 -1.05 -0.94 -5.03 118.70 112.55 1fwd s GLU 5 Ca 0.00 1.61 -0.01 0.00 -0.15 0.00 0.00 54.97 56.42 1fwd s GLU 5 Cb 0.00 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 1fwd s GLU 5 CO 0.00 -1.25 0.45 0.71 0.95 0.00 0.00 175.26 176.12 1fwd s TYR 6 N -1.97 3.48 -0.49 4.83 4.12 -1.26 -5.05 117.35 121.01 1fwd s TYR 6 Ca 0.72 0.38 0.04 0.00 0.02 0.00 0.00 57.07 58.22 1fwd s TYR 6 Cb -0.25 -1.89 0.17 0.00 -1.52 0.00 0.00 41.96 38.47 1fwd s TYR 6 CO 0.37 0.29 0.37 -1.58 0.02 0.00 0.00 175.55 175.02 1fwd s HIS 7 N -2.01 1.79 -0.01 2.71 5.65 -1.26 -5.09 115.29 117.07 1fwd s HIS 7 Ca 0.39 -2.57 -0.30 0.00 0.25 0.00 0.00 55.06 52.83 1fwd s HIS 7 Cb -0.11 -1.45 -0.04 0.00 -1.18 0.00 0.00 32.58 29.81 1fwd s HIS 7 CO 0.31 -0.75 1.08 0.08 -0.65 0.00 0.00 174.74 174.81 1fwd s VAL 8 N -0.28 4.52 0.22 0.89 1.01 -1.26 -5.03 120.40 120.48 1fwd s VAL 8 Ca 0.29 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 1fwd s VAL 8 Cb -0.01 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1fwd s VAL 8 CO -0.17 0.10 1.03 -1.59 0.00 0.00 0.00 175.10 174.47 1fwd s LYS 9 N 1.35 4.71 0.63 2.72 -2.85 -1.26 -5.00 119.74 120.04 1fwd s LYS 9 Ca 0.54 1.63 -0.18 0.00 -1.00 0.00 0.00 55.97 56.96 1fwd s LYS 9 Cb -0.24 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.25 1fwd s LYS 9 CO 0.26 0.29 1.24 -1.25 0.10 0.00 0.00 175.35 175.99 1fwd s PRO 10 N -0.91 2.73 0.00 1.78 0.04 -1.26 -4.93 135.00 132.45 1fwd s PRO 10 Ca 0.45 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1fwd s PRO 10 Cb -0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1fwd s PRO 10 CO 0.35 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1fwd n GLY 11 N 0.63 0.77 3.06 0.56 0.00 -1.26 -5.13 105.19 103.82 1fwd n GLY 11 Ca 0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 1fwd n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwd s GLN 12 N -2.00 0.52 -0.13 1.61 -0.21 -1.26 -5.15 119.66 113.05 1fwd s GLN 12 Ca 0.00 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.38 1fwd s GLN 12 Cb 0.00 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.17 1fwd s GLN 12 CO 0.00 -0.10 -0.06 0.42 -2.12 0.00 0.00 175.29 173.43 1fwd s ILE 13 N -3.04 3.75 -0.23 1.08 -1.09 -1.26 -5.09 121.20 115.33 1fwd s ILE 13 Ca -0.01 -0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 57.81 1fwd s ILE 13 Cb 0.02 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1fwd s ILE 13 CO -0.07 0.52 0.51 0.00 -1.23 0.00 0.00 174.94 174.68 1fwd s ALA 14 N 0.07 3.57 0.12 9.38 0.00 -1.26 -5.07 121.76 128.57 1fwd s ALA 14 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1fwd s ALA 14 Cb -0.14 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1fwd s ALA 14 CO 0.03 -0.57 0.35 -0.51 0.00 0.00 0.00 175.76 175.07 1fwd s LEU 15 N 1.91 4.29 -1.49 0.00 1.43 -1.26 -4.57 118.68 118.99 1fwd s LEU 15 Ca 0.23 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1fwd s LEU 15 Cb -0.15 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1fwd s LEU 15 CO 0.09 0.08 0.14 0.59 0.23 0.00 0.00 176.35 177.49 1fwd n ASN 16 N 0.21 0.32 -4.78 2.29 5.03 -1.26 -4.90 115.26 112.17 1fwd n ASN 16 Ca -0.03 -1.21 -0.36 0.00 0.87 0.00 0.00 54.58 53.84 1fwd n ASN 16 Cb 0.52 -1.96 -0.03 0.00 -1.02 0.00 0.00 39.78 37.29 1fwd n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fwd s THR 17 N -4.23 3.51 -0.65 3.41 -4.23 -1.26 -3.79 115.64 108.39 1fwd s THR 17 Ca 0.03 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1fwd s THR 17 Cb -0.02 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1fwd s THR 17 CO 0.97 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.57 1fwd n GLY 18 N 0.17 0.23 3.15 3.99 0.00 -1.26 -5.04 105.19 106.43 1fwd n GLY 18 Ca 0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1fwd n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwd s ARG 19 N -4.05 1.04 0.32 1.61 0.52 -1.25 -5.12 118.95 112.03 1fwd s ARG 19 Ca 0.00 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 1fwd s ARG 19 Cb 0.00 -1.06 -0.11 0.00 0.52 0.00 0.00 34.95 34.30 1fwd s ARG 19 CO 0.00 0.27 1.54 0.00 0.02 0.00 0.00 175.30 177.13 1fwd n ALA 20 N 2.05 2.40 -2.25 2.13 0.00 -1.26 -4.86 120.51 118.71 1fwd n ALA 20 Ca -0.17 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1fwd n ALA 20 Cb 0.55 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 1fwd n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fwd s THR 21 N -0.46 0.68 -0.12 0.00 -4.23 -1.26 -1.16 115.64 109.09 1fwd s THR 21 Ca 0.60 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1fwd s THR 21 Cb -0.50 -2.18 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1fwd s THR 21 CO 0.55 -0.42 0.72 0.00 -0.54 0.00 0.00 174.62 174.92 1fwd s ARG 23 N -0.74 3.32 -0.01 0.00 0.52 -1.26 0.18 118.95 120.96 1fwd s ARG 23 Ca -0.07 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1fwd s ARG 23 Cb -0.01 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1fwd s ARG 23 CO 0.07 0.72 0.04 0.08 0.02 0.00 0.00 175.30 176.23 1fwd s VAL 24 N -1.14 0.01 -0.17 3.52 1.01 -0.30 -4.97 120.40 118.36 1fwd s VAL 24 Ca 0.20 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1fwd s VAL 24 Cb -0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1fwd s VAL 24 CO 0.10 -0.04 0.53 -0.69 0.00 0.00 0.00 175.10 175.00 1fwd s VAL 25 N -0.10 5.11 0.01 2.92 1.01 -1.26 -0.52 120.40 127.57 1fwd s VAL 25 Ca -0.01 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1fwd s VAL 25 Cb -0.01 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1fwd s VAL 25 CO 0.00 0.21 -0.25 -0.69 0.00 0.00 0.00 175.10 174.37 1fwd s VAL 26 N 1.39 1.96 -0.04 2.92 1.01 0.91 -4.57 120.40 123.98 1fwd s VAL 26 Ca 0.26 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1fwd s VAL 26 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1fwd s VAL 26 CO 0.10 0.44 -0.04 -0.70 0.00 0.00 0.00 175.10 174.91 1fwd s GLU 27 N -0.87 0.77 -0.46 2.72 2.12 -0.82 -0.63 118.70 121.54 1fwd s GLU 27 Ca 0.10 -0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.09 1fwd s GLU 27 Cb -0.10 -0.81 0.03 0.00 0.26 0.00 0.00 34.13 33.51 1fwd s GLU 27 CO 0.00 -0.10 0.97 1.21 -0.54 0.00 0.00 175.26 176.81 1fwd s ASN 28 N 0.98 6.55 0.00 -1.70 2.47 0.35 -0.19 114.94 123.39 1fwd s ASN 28 Ca -0.10 0.24 0.25 0.00 0.42 0.00 0.00 52.86 53.66 1fwd s ASN 28 Cb -0.14 -2.47 0.61 0.00 -1.45 0.00 0.00 41.25 37.79 1fwd s ASN 28 CO -0.00 -1.08 1.49 1.41 -3.72 0.00 0.00 177.10 175.20 1fwd n HIS 29 N 7.29 0.12 -2.27 0.43 8.25 -0.16 -0.82 115.22 128.06 1fwd n HIS 29 Ca 0.08 -0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.22 1fwd n HIS 29 Cb 0.49 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.67 1fwd n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwd s GLY 30 N -1.84 1.72 0.00 -1.41 0.00 -1.25 -4.92 107.32 99.62 1fwd s GLY 30 Ca 0.34 -1.04 0.22 0.00 0.00 0.00 0.00 44.72 44.24 1fwd s GLY 30 CO 0.31 -0.62 1.45 2.09 0.00 0.00 0.00 173.10 176.32 1fwd n ASP 31 N -2.87 3.40 -4.14 1.64 5.75 -1.26 -4.05 116.55 115.02 1fwd n ASP 31 Ca 0.09 -1.98 -0.18 0.00 -0.01 0.00 0.00 54.79 52.71 1fwd n ASP 31 Cb 0.60 -0.31 -0.12 0.00 -1.03 0.00 0.00 41.12 40.26 1fwd n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwd s ARG 32 N -1.38 0.79 0.57 0.11 0.52 -1.26 -4.84 118.95 113.46 1fwd s ARG 32 Ca 0.41 -0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 1fwd s ARG 32 Cb 0.23 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.89 1fwd s ARG 32 CO 0.31 0.17 1.22 -1.25 0.02 0.00 0.00 175.30 175.78 1fwd s PRO 33 N -1.47 3.09 -0.05 3.54 0.04 -1.26 -4.44 135.00 134.44 1fwd s PRO 33 Ca -0.02 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1fwd s PRO 33 Cb -0.09 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1fwd s PRO 33 CO 0.02 -1.12 -0.10 0.42 0.04 0.00 0.00 177.00 176.25 1fwd s ILE 34 N -1.55 0.94 -0.10 0.56 1.01 -0.43 -5.00 121.20 116.63 1fwd s ILE 34 Ca 0.75 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1fwd s ILE 34 Cb -0.31 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1fwd s ILE 34 CO 0.35 0.31 -0.18 -1.58 0.00 0.00 0.00 174.94 173.83 1fwd s GLN 35 N 0.64 2.43 -0.13 2.79 0.74 -1.26 0.15 119.66 125.02 1fwd s GLN 35 Ca -0.12 -0.65 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1fwd s GLN 35 Cb -0.14 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.00 1fwd s GLN 35 CO 0.02 0.05 -0.10 0.08 -0.55 0.00 0.00 175.29 174.79 1fwd s VAL 36 N 0.67 3.32 0.66 1.34 1.01 -0.28 -4.96 120.40 122.15 1fwd s VAL 36 Ca -0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1fwd s VAL 36 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1fwd s VAL 36 CO 0.03 0.53 1.05 -0.83 0.00 0.00 0.00 175.10 175.88 1fwd s GLY 37 N 0.19 1.69 0.43 4.51 0.00 -1.26 -1.92 107.32 110.97 1fwd s GLY 37 Ca -0.06 0.02 0.14 0.00 0.00 0.00 0.00 44.72 44.82 1fwd s GLY 37 CO 0.04 0.31 1.97 1.48 0.00 0.00 0.00 173.10 176.91 1fwd h SER 38 N -0.47 0.36 -0.35 1.64 4.64 -1.68 -3.01 113.55 114.68 1fwd h SER 38 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1fwd h SER 38 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1fwd h SER 38 CO 0.59 0.22 0.00 1.41 -0.87 0.00 0.00 176.83 178.18 1fwd n HIS 39 N -4.47 0.47 -2.43 4.77 8.25 -1.26 -3.03 115.22 117.51 1fwd n HIS 39 Ca 0.10 -0.42 -0.40 0.00 -0.26 0.00 0.00 57.72 56.75 1fwd n HIS 39 Cb 0.39 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 1fwd n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwd s TYR 40 N -1.02 3.43 -0.54 4.41 5.04 -1.14 -4.92 117.35 122.61 1fwd s TYR 40 Ca 0.26 1.65 -0.27 0.00 -2.44 0.00 0.00 57.07 56.27 1fwd s TYR 40 Cb 0.14 -3.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.11 1fwd s TYR 40 CO 0.19 -0.77 1.91 -1.58 -1.34 0.00 0.00 175.55 173.96 1fwd s HIS 41 N -1.26 1.62 0.37 4.97 5.65 -1.26 -4.44 115.29 120.95 1fwd s HIS 41 Ca 0.48 0.85 0.15 0.00 0.25 0.00 0.00 55.06 56.78 1fwd s HIS 41 Cb -0.31 -4.04 1.00 0.00 -1.18 0.00 0.00 32.58 28.05 1fwd s HIS 41 CO 0.40 -2.45 1.79 0.35 -0.65 0.00 0.00 174.74 174.18 1fwd h PHE 42 N 15.08 0.75 0.00 3.88 3.57 -1.49 -0.47 116.94 138.26 1fwd h PHE 42 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1fwd h PHE 42 Cb 1.18 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1fwd h PHE 42 CO 1.02 0.13 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 1fwd h ALA 43 N 1.63 1.00 -0.20 2.41 0.00 -1.77 -2.60 119.26 119.73 1fwd h ALA 43 Ca 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 1fwd h ALA 43 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1fwd h ALA 43 CO -0.30 0.00 -0.06 0.39 0.00 0.00 0.00 179.25 179.28 1fwd n GLU 44 N -2.35 2.12 -1.16 0.00 1.02 -0.19 -4.96 120.64 115.12 1fwd n GLU 44 Ca -0.01 -2.90 -0.30 0.00 -0.02 0.00 0.00 57.16 53.93 1fwd n GLU 44 Cb 0.09 -1.73 0.22 0.00 -0.02 0.00 0.00 31.44 30.00 1fwd n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwd s VAL 45 N -2.99 1.75 -0.09 2.62 -7.23 -0.98 -4.47 120.40 109.00 1fwd s VAL 45 Ca 0.40 0.00 -0.39 0.00 -1.81 0.00 0.00 61.98 60.18 1fwd s VAL 45 Cb 0.35 -2.52 -0.17 0.00 0.56 0.00 0.00 36.38 34.59 1fwd s VAL 45 CO 0.04 0.00 1.43 -3.20 -0.31 0.00 0.00 175.10 173.06 1fwd n ASN 46 N -4.53 1.51 0.31 4.85 2.85 -1.26 -4.82 115.26 114.18 1fwd n ASN 46 Ca 0.11 1.12 0.16 0.00 -0.11 0.00 0.00 54.58 55.85 1fwd n ASN 46 Cb 0.59 -1.10 0.80 0.00 1.24 0.00 0.00 39.78 41.31 1fwd n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwd h PRO 47 N 5.08 0.00 0.00 1.20 0.11 -1.99 -1.67 132.00 134.73 1fwd h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fwd h PRO 47 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1fwd h PRO 47 CO 0.83 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1fwd h ALA 48 N 1.33 1.00 -2.14 -0.75 0.00 -1.96 -3.42 119.26 113.32 1fwd h ALA 48 Ca 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 1fwd h ALA 48 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1fwd h ALA 48 CO -0.00 0.00 0.64 -0.51 0.00 0.00 0.00 179.25 179.38 1fwd s LEU 49 N -5.86 4.06 -0.26 0.00 1.43 -0.63 -0.98 118.68 116.43 1fwd s LEU 49 Ca 0.03 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.08 1fwd s LEU 49 Cb 0.09 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1fwd s LEU 49 CO 0.53 -0.66 0.27 -0.75 0.23 0.00 0.00 176.35 175.97 1fwd s LYS 50 N 3.15 4.02 0.27 1.70 2.20 0.73 -4.90 119.74 126.91 1fwd s LYS 50 Ca 0.40 -0.12 -0.19 0.00 -0.36 0.00 0.00 55.97 55.69 1fwd s LYS 50 Cb -0.14 -3.62 0.07 0.00 -1.51 0.00 0.00 37.83 32.63 1fwd s LYS 50 CO 0.10 -0.15 0.95 -0.59 -0.36 0.00 0.00 175.35 175.29 1fwd s PHE 51 N 1.68 0.12 -1.04 4.03 -0.12 -1.26 -1.94 117.98 119.45 1fwd s PHE 51 Ca 0.11 -0.64 -0.23 0.00 -0.05 0.00 0.00 56.93 56.12 1fwd s PHE 51 Cb -0.15 0.77 0.05 0.00 -0.63 0.00 0.00 43.02 43.06 1fwd s PHE 51 CO 0.09 -1.20 1.47 0.34 -0.05 0.00 0.00 175.22 175.87 1fwd s ASP 52 N -3.32 6.52 0.56 1.98 -1.08 -1.26 -4.81 116.67 115.26 1fwd s ASP 52 Ca 0.20 -1.52 0.24 0.00 -0.52 0.00 0.00 52.55 50.96 1fwd s ASP 52 Cb -0.04 -2.57 1.60 0.00 -1.46 0.00 0.00 42.92 40.45 1fwd s ASP 52 CO 0.08 -1.49 2.21 0.03 0.52 0.00 0.00 175.17 176.52 1fwd h ARG 53 N 9.65 0.00 -0.35 4.34 2.47 -1.97 -1.95 114.38 126.56 1fwd h ARG 53 Ca 0.22 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.81 1fwd h ARG 53 Cb 1.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 1fwd h ARG 53 CO 1.43 0.00 -0.31 0.37 0.56 0.00 0.00 179.97 182.03 1fwd h GLN 54 N 0.00 0.76 -0.12 0.04 4.15 -1.95 -3.01 115.11 114.98 1fwd h GLN 54 Ca 0.00 -0.35 -0.14 0.00 0.77 0.00 0.00 58.65 58.93 1fwd h GLN 54 Cb 0.02 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1fwd h GLN 54 CO -0.00 0.97 -0.54 0.37 -1.93 0.00 0.00 178.83 177.69 1fwd h GLN 55 N 0.65 0.36 0.00 1.69 5.75 -1.77 -3.14 115.11 118.65 1fwd h GLN 55 Ca 0.07 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1fwd h GLN 55 Cb 0.84 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1fwd h GLN 55 CO 0.07 0.82 0.00 0.00 -2.65 0.00 0.00 178.83 177.07 1fwd n ALA 56 N -2.49 2.59 -1.68 3.38 0.00 -1.11 -4.88 120.51 116.33 1fwd n ALA 56 Ca -0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1fwd n ALA 56 Cb 0.59 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1fwd n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwd s ALA 57 N -2.00 3.29 0.00 0.00 0.00 -1.18 -1.61 121.76 120.27 1fwd s ALA 57 Ca 0.43 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1fwd s ALA 57 Cb 0.20 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1fwd s ALA 57 CO 0.33 -1.99 0.00 0.41 0.00 0.00 0.00 175.76 174.52 1fwd n GLY 58 N 4.94 0.56 3.55 0.00 0.00 -1.26 -5.01 105.19 107.96 1fwd n GLY 58 Ca 0.23 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1fwd n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwd s TYR 59 N -2.00 2.47 0.19 1.61 2.02 -0.63 -0.61 117.35 120.39 1fwd s TYR 59 Ca 0.00 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1fwd s TYR 59 Cb 0.00 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1fwd s TYR 59 CO 0.00 0.66 0.11 -0.98 -1.57 0.00 0.00 175.55 173.77 1fwd s ARG 60 N -3.59 1.15 0.26 -0.62 1.70 -0.45 -1.41 118.95 115.98 1fwd s ARG 60 Ca 0.31 -1.59 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 1fwd s ARG 60 Cb -0.05 0.25 -0.10 0.00 -0.57 0.00 0.00 34.95 34.48 1fwd s ARG 60 CO 0.17 -0.36 1.38 -0.51 -1.08 0.00 0.00 175.30 174.91 1fwd s LEU 61 N -3.14 4.40 -1.29 -1.89 1.43 -1.17 -0.53 118.68 116.48 1fwd s LEU 61 Ca 0.36 2.61 -0.10 0.00 -1.03 0.00 0.00 54.13 55.97 1fwd s LEU 61 Cb 0.07 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.82 1fwd s LEU 61 CO 0.10 -0.63 1.91 -3.20 0.23 0.00 0.00 176.35 174.76 1fwd n ASN 62 N 2.07 5.02 -4.19 2.29 2.85 -0.03 -4.65 115.26 118.62 1fwd n ASN 62 Ca 0.05 -3.10 -0.11 0.00 -0.11 0.00 0.00 54.58 51.31 1fwd n ASN 62 Cb 0.41 -1.49 -0.10 0.00 1.24 0.00 0.00 39.78 39.84 1fwd n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwd s ILE 63 N 0.54 0.78 0.26 -1.44 -4.36 -1.26 -4.92 121.20 110.80 1fwd s ILE 63 Ca 0.40 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 1fwd s ILE 63 Cb 0.10 -1.72 -0.13 0.00 1.25 0.00 0.00 42.46 41.96 1fwd s ILE 63 CO -0.00 -0.85 1.33 -0.81 0.24 0.00 0.00 174.94 174.85 1fwd n PRO 64 N -0.07 1.93 -1.60 0.37 -0.04 -1.26 -4.84 135.00 129.49 1fwd n PRO 64 Ca -0.12 0.69 -0.51 0.00 -0.04 0.00 0.00 63.50 63.52 1fwd n PRO 64 Cb 0.61 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.72 1fwd n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwd n ALA 65 N 1.36 -0.70 -0.02 0.55 0.00 -1.26 -1.72 120.51 118.73 1fwd n ALA 65 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1fwd n ALA 65 Cb 0.32 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1fwd n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwd n GLY 66 N 2.59 1.00 4.01 0.00 0.00 -1.26 -5.06 105.19 106.48 1fwd n GLY 66 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1fwd n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwd s THR 67 N -2.36 2.24 0.20 2.61 -4.23 -0.70 -4.89 115.64 108.51 1fwd s THR 67 Ca 0.00 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1fwd s THR 67 Cb 0.00 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1fwd s THR 67 CO 0.00 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.35 1fwd s ALA 68 N -2.85 0.46 -0.11 3.99 0.00 -1.26 -1.82 121.76 120.17 1fwd s ALA 68 Ca 0.63 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1fwd s ALA 68 Cb -0.06 1.14 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1fwd s ALA 68 CO 0.41 -0.68 -0.19 0.08 0.00 0.00 0.00 175.76 175.38 1fwd s VAL 69 N -4.07 1.73 -0.05 0.00 1.01 -0.81 -4.97 120.40 113.25 1fwd s VAL 69 Ca 0.28 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1fwd s VAL 69 Cb 0.04 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1fwd s VAL 69 CO 0.08 0.49 0.09 -0.60 0.00 0.00 0.00 175.10 175.15 1fwd s ARG 70 N 0.77 3.16 -0.23 2.72 3.52 -1.26 -1.12 118.95 126.50 1fwd s ARG 70 Ca -0.10 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1fwd s ARG 70 Cb -0.16 -2.94 0.06 0.00 -1.56 0.00 0.00 34.95 30.36 1fwd s ARG 70 CO 0.01 0.69 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.10 1fwd s PHE 71 N -1.11 2.16 0.76 5.12 0.08 0.12 -4.99 117.98 120.13 1fwd s PHE 71 Ca 0.20 -1.62 -0.11 0.00 0.12 0.00 0.00 56.93 55.52 1fwd s PHE 71 Cb -0.12 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.88 1fwd s PHE 71 CO 0.10 -0.75 1.08 -1.21 -0.10 0.00 0.00 175.22 174.34 1fwd s GLU 72 N 1.47 2.36 0.17 0.44 0.41 -1.26 -1.31 118.70 120.98 1fwd s GLU 72 Ca -0.05 0.75 -0.33 0.00 -0.41 0.00 0.00 54.97 54.93 1fwd s GLU 72 Cb -0.19 -1.94 -0.13 0.00 -1.78 0.00 0.00 34.13 30.09 1fwd s GLU 72 CO -0.07 -1.45 1.65 -2.30 -0.49 0.00 0.00 175.26 172.60 1fwd n PRO 73 N -3.34 2.40 -0.30 0.39 -0.02 -1.26 -1.41 135.00 131.46 1fwd n PRO 73 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1fwd n PRO 73 Cb 0.55 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1fwd n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwd n GLY 74 N 3.67 1.81 3.75 -1.23 0.00 -0.00 -5.01 105.19 108.18 1fwd n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fwd n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwd s GLN 75 N -0.21 4.49 -0.03 1.61 0.74 -0.50 -4.68 119.66 121.08 1fwd s GLN 75 Ca 0.00 1.94 0.06 0.00 0.05 0.00 0.00 55.36 57.41 1fwd s GLN 75 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1fwd s GLN 75 CO 0.00 -0.05 -0.20 0.21 -0.55 0.00 0.00 175.29 174.70 1fwd s LYS 76 N -0.78 1.80 0.01 1.67 2.20 -1.26 -0.49 119.74 122.88 1fwd s LYS 76 Ca 0.51 -0.73 -0.28 0.00 -0.36 0.00 0.00 55.97 55.11 1fwd s LYS 76 Cb -0.34 -1.67 0.10 0.00 -1.51 0.00 0.00 37.83 34.41 1fwd s LYS 76 CO 0.41 0.39 0.83 -0.98 -0.36 0.00 0.00 175.35 175.63 1fwd s ARG 77 N -0.33 0.91 -0.21 4.03 1.70 0.20 -4.99 118.95 120.27 1fwd s ARG 77 Ca 0.04 -0.25 -0.10 0.00 -0.47 0.00 0.00 55.73 54.95 1fwd s ARG 77 Cb -0.09 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1fwd s ARG 77 CO 0.00 -0.38 0.13 -2.00 -1.08 0.00 0.00 175.30 171.98 1fwd s GLU 78 N -2.90 4.17 0.18 3.89 2.12 -1.26 -0.06 118.70 124.83 1fwd s GLU 78 Ca 0.02 -0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.23 1fwd s GLU 78 Cb -0.01 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1fwd s GLU 78 CO -0.07 0.26 -0.19 0.14 -0.54 0.00 0.00 175.26 174.86 1fwd s VAL 79 N 0.48 2.66 -0.17 3.70 -7.23 0.32 -4.93 120.40 115.22 1fwd s VAL 79 Ca 0.08 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1fwd s VAL 79 Cb -0.11 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1fwd s VAL 79 CO -0.01 -0.08 0.04 -0.70 -0.31 0.00 0.00 175.10 174.04 1fwd s GLU 80 N -2.62 3.85 0.12 4.82 2.12 -1.26 -1.14 118.70 124.59 1fwd s GLU 80 Ca 0.21 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.23 1fwd s GLU 80 Cb -0.09 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1fwd s GLU 80 CO 0.11 0.31 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.60 1fwd s LEU 81 N 0.26 3.28 -0.02 2.70 1.02 0.13 -0.85 118.68 125.19 1fwd s LEU 81 Ca 0.02 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1fwd s LEU 81 Cb -0.13 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 44.08 1fwd s LEU 81 CO 0.01 0.14 -0.13 0.54 0.02 0.00 0.00 176.35 176.93 1fwd s VAL 82 N -1.43 1.10 0.41 -1.59 0.11 0.30 -1.26 120.40 118.04 1fwd s VAL 82 Ca 0.25 -0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 58.49 1fwd s VAL 82 Cb -0.11 -0.94 -0.08 0.00 -1.53 0.00 0.00 36.38 33.72 1fwd s VAL 82 CO 0.17 0.32 1.22 0.00 -3.33 0.00 0.00 175.10 173.48 1fwd s ALA 83 N -0.09 3.18 0.78 1.54 0.00 -0.31 -1.35 121.76 125.51 1fwd s ALA 83 Ca 0.01 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 1fwd s ALA 83 Cb -0.08 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.68 1fwd s ALA 83 CO 0.00 -0.66 1.16 -0.06 0.00 0.00 0.00 175.76 176.20 1fwd s PHE 84 N -1.36 2.10 0.00 0.00 0.08 0.22 -4.89 117.98 114.14 1fwd s PHE 84 Ca 0.57 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.26 1fwd s PHE 84 Cb -0.34 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 1fwd s PHE 84 CO 0.42 -2.41 0.00 0.00 -0.10 0.00 0.00 175.22 173.14 1fwd n ALA 85 N -3.20 0.00 -0.85 5.36 0.00 -1.26 -4.85 120.51 115.71 1fwd n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1fwd n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwd n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwd n GLY 86 N 3.84 3.07 0.00 0.00 0.00 -1.26 -1.18 105.19 109.66 1fwd n GLY 86 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1fwd n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwd n HIS 87 N 13.71 0.00 -3.55 1.61 8.25 -1.26 -4.93 115.22 129.05 1fwd n HIS 87 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1fwd n HIS 87 Cb 0.00 -0.41 0.06 0.00 1.12 0.00 0.00 29.99 30.76 1fwd n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwd n ARG 88 N -1.50 -4.75 -4.65 -0.41 1.74 -0.32 -4.77 116.66 102.01 1fwd n ARG 88 Ca 0.06 0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 1fwd n ARG 88 Cb 0.34 -5.40 -0.17 0.00 -1.02 0.00 0.00 32.46 26.22 1fwd n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwd s ALA 89 N -3.52 2.11 -0.25 7.54 0.00 -1.26 -0.36 121.76 126.03 1fwd s ALA 89 Ca 0.11 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1fwd s ALA 89 Cb -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1fwd s ALA 89 CO 0.78 -0.03 0.06 0.08 0.00 0.00 0.00 175.76 176.66 1fwd s VAL 90 N 0.83 4.22 -0.04 0.00 1.01 0.38 -4.91 120.40 121.89 1fwd s VAL 90 Ca -0.07 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1fwd s VAL 90 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1fwd s VAL 90 CO -0.01 0.33 -0.13 -0.36 0.00 0.00 0.00 175.10 174.93 1fwd s PHE 91 N 1.60 1.35 0.00 5.22 0.40 -1.26 -0.77 117.98 124.51 1fwd s PHE 91 Ca 0.06 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1fwd s PHE 91 Cb -0.15 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1fwd s PHE 91 CO 0.03 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.18 1fwd n GLY 92 N 3.42 0.46 7.00 4.36 0.00 -1.26 -5.00 105.19 114.17 1fwd n GLY 92 Ca -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1fwd n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwd n PHE 93 N 0.00 0.00 0.36 1.61 3.01 -1.26 -0.59 117.46 120.59 1fwd n PHE 93 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1fwd n PHE 93 Cb 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.69 1fwd n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwd n ARG 94 N 14.00 2.28 -2.58 -1.08 1.74 -1.26 -4.93 116.66 124.83 1fwd n ARG 94 Ca 0.00 -1.82 -0.17 0.00 -0.77 0.00 0.00 57.85 55.09 1fwd n ARG 94 Cb 0.00 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1fwd n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwd n GLY 95 N 1.22 -0.28 0.09 -0.13 0.00 0.25 -4.94 105.19 101.40 1fwd n GLY 95 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1fwd n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwd h GLU 96 N -0.54 0.00 0.00 1.61 5.08 -1.92 -3.42 114.58 115.39 1fwd h GLU 96 Ca -0.40 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1fwd h GLU 96 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1fwd h GLU 96 CO 0.45 0.60 -0.84 1.55 -1.00 0.00 0.00 179.01 179.77 1fwd n VAL 97 N -3.14 1.26 -3.93 3.13 3.14 -1.26 -5.03 118.33 112.50 1fwd n VAL 97 Ca -0.06 0.15 -0.27 0.00 -2.96 0.00 0.00 64.34 61.21 1fwd n VAL 97 Cb 0.89 -1.94 -0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1fwd n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwd n MET 98 N -3.96 -3.94 -3.39 1.45 2.81 -0.54 -4.87 117.12 104.68 1fwd n MET 98 Ca -0.13 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1fwd n MET 98 Cb 0.38 -4.89 0.00 0.00 -0.71 0.00 0.00 33.22 28.01 1fwd n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwd n GLY 99 N -1.77 -1.43 3.77 3.03 0.00 0.05 -4.94 105.19 103.89 1fwd n GLY 99 Ca -0.21 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1fwd n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwd s PRO 100 N -1.09 4.04 0.00 1.61 0.04 -1.26 -0.47 135.00 137.87 1fwd s PRO 100 Ca 0.00 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1fwd s PRO 100 Cb 0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1fwd s PRO 100 CO 0.00 -0.41 0.00 -0.11 0.04 0.00 0.00 177.00 176.52