#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py4 s GLN 2 N 0.00 1.73 -0.28 6.28 -0.21 -1.26 -4.65 119.66 121.26 1py4 s GLN 2 Ca 0.00 -1.20 -0.23 0.00 0.02 0.00 0.00 55.36 53.95 1py4 s GLN 2 Cb 0.00 0.54 0.11 0.00 1.00 0.00 0.00 33.01 34.66 1py4 s GLN 2 CO 0.00 -0.76 0.91 1.03 -2.12 0.00 0.00 175.29 174.35 1py4 s ARG 3 N -3.76 0.59 0.13 2.91 0.52 0.67 -4.87 118.95 115.15 1py4 s ARG 3 Ca 0.18 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.12 1py4 s ARG 3 Cb -0.03 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 1py4 s ARG 3 CO 0.09 -0.08 0.37 0.95 0.02 0.00 0.00 175.30 176.65 1py4 s THR 4 N 0.57 5.18 1.27 0.02 -4.23 -1.26 -0.77 115.64 116.41 1py4 s THR 4 Ca -0.01 0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1py4 s THR 4 Cb -0.05 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.49 1py4 s THR 4 CO -0.07 0.06 0.92 -2.65 -0.54 0.00 0.00 174.62 172.34 1py4 n PRO 5 N 0.15 -3.89 -3.25 3.99 -0.02 -1.26 -4.51 135.00 126.20 1py4 n PRO 5 Ca -0.03 -1.51 -0.25 0.00 -2.02 0.00 0.00 63.50 59.70 1py4 n PRO 5 Cb 0.52 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1py4 n PRO 5 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1py4 n LYS 6 N -5.13 0.60 -1.67 -0.52 4.81 -0.74 -4.92 118.16 110.60 1py4 n LYS 6 Ca 0.14 -3.23 -0.44 0.00 -0.87 0.00 0.00 58.31 53.90 1py4 n LYS 6 Cb 0.56 -1.34 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 1py4 n LYS 6 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1py4 n ILE 7 N 1.77 0.65 -3.20 3.15 -0.00 -1.26 -4.03 119.36 116.42 1py4 n ILE 7 Ca 0.23 -0.12 -0.23 0.00 -0.00 0.00 0.00 62.75 62.63 1py4 n ILE 7 Cb 0.52 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.64 37.96 1py4 n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1py4 n GLN 8 N 6.92 0.91 -0.63 0.38 6.02 -1.06 -4.98 117.38 124.95 1py4 n GLN 8 Ca 0.21 -3.37 -0.30 0.00 -0.01 0.00 0.00 57.00 53.52 1py4 n GLN 8 Cb 0.36 -1.37 0.19 0.00 1.02 0.00 0.00 30.24 30.45 1py4 n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1py4 n VAL 9 N 1.20 0.00 -2.56 5.09 0.31 -1.26 -3.90 118.33 117.21 1py4 n VAL 9 Ca 0.22 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1py4 n VAL 9 Cb 0.54 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1py4 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1py4 n TYR 10 N -4.42 0.00 0.00 3.52 -0.00 -1.13 -4.89 117.16 110.24 1py4 n TYR 10 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 1py4 n TYR 10 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1py4 n TYR 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1py4 n SER 11 N 0.00 0.00 -3.31 9.48 2.88 -1.26 -3.53 113.62 117.88 1py4 n SER 11 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1py4 n SER 11 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1py4 n SER 11 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1py4 n ARG 12 N 0.00 1.86 0.00 -1.46 1.74 -1.26 -4.26 116.66 113.28 1py4 n ARG 12 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1py4 n ARG 12 Cb 0.00 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 1py4 n ARG 12 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1py4 n HIS 13 N -2.47 0.00 -0.72 -1.55 8.25 -1.26 -4.30 115.22 113.17 1py4 n HIS 13 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1py4 n HIS 13 Cb 0.01 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 1py4 n HIS 13 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1py4 n PRO 14 N 1.30 0.00 0.00 -0.41 -0.02 -1.26 -4.07 135.00 130.54 1py4 n PRO 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1py4 n PRO 14 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1py4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1py4 n ALA 15 N 4.04 -0.64 -0.06 3.55 0.00 -1.26 -4.22 120.51 121.92 1py4 n ALA 15 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1py4 n ALA 15 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1py4 n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1py4 n GLU 16 N 0.69 0.00 -1.69 0.00 2.13 -1.26 -4.23 120.64 116.28 1py4 n GLU 16 Ca 0.00 -0.30 -0.63 0.00 0.66 0.00 0.00 57.16 56.89 1py4 n GLU 16 Cb 0.00 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 29.93 1py4 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1py4 n ASN 17 N 4.06 1.36 0.00 4.31 4.13 -1.26 0.13 115.26 127.99 1py4 n ASN 17 Ca 0.00 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.41 1py4 n ASN 17 Cb 0.00 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1py4 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1py4 n GLY 18 N 3.60 0.82 4.00 7.41 0.00 -1.26 -4.87 105.19 114.89 1py4 n GLY 18 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 1py4 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1py4 s LYS 19 N 0.00 2.46 -0.05 1.61 -2.85 0.34 -5.08 119.74 116.18 1py4 s LYS 19 Ca 0.00 -1.16 -0.02 0.00 -1.00 0.00 0.00 55.97 53.79 1py4 s LYS 19 Cb 0.00 -2.59 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 1py4 s LYS 19 CO 0.00 -0.70 0.07 0.45 0.10 0.00 0.00 175.35 175.27 1py4 s SER 20 N -4.50 5.69 0.00 0.03 0.15 -1.26 -4.41 113.70 109.41 1py4 s SER 20 Ca 0.59 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1py4 s SER 20 Cb -0.09 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1py4 s SER 20 CO 0.38 0.32 0.00 -0.46 1.20 0.00 0.00 173.24 174.68 1py4 n ASN 21 N 1.57 2.22 -3.75 5.45 6.94 -1.24 -4.89 115.26 121.55 1py4 n ASN 21 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.28 1py4 n ASN 21 Cb 0.53 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.82 1py4 n ASN 21 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1py4 s PHE 22 N 1.18 -0.27 -0.62 -2.53 0.08 -1.11 -3.20 117.98 111.51 1py4 s PHE 22 Ca 0.00 0.67 -0.08 0.00 0.12 0.00 0.00 56.93 57.63 1py4 s PHE 22 Cb 0.00 0.03 0.16 0.00 -0.57 0.00 0.00 43.02 42.64 1py4 s PHE 22 CO 0.00 -0.19 0.49 -1.17 -0.10 0.00 0.00 175.22 174.25 1py4 s LEU 23 N 0.96 5.84 0.10 -0.37 2.96 -0.60 -4.42 118.68 123.14 1py4 s LEU 23 Ca -0.07 -2.43 -0.07 0.00 -0.22 0.00 0.00 54.13 51.34 1py4 s LEU 23 Cb -0.08 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1py4 s LEU 23 CO -0.06 -0.56 0.37 0.54 -1.32 0.00 0.00 176.35 175.33 1py4 s ASN 24 N 1.89 6.55 0.37 3.68 2.20 -1.23 -3.00 114.94 125.40 1py4 s ASN 24 Ca 0.13 0.67 0.02 0.00 -0.94 0.00 0.00 52.86 52.73 1py4 s ASN 24 Cb -0.20 -2.13 -0.02 0.00 -2.00 0.00 0.00 41.25 36.90 1py4 s ASN 24 CO -0.04 0.12 0.56 0.00 -2.94 0.00 0.00 177.10 174.80 1py4 s TYR 26 N -2.34 0.63 -0.00 0.00 5.04 -1.25 -2.76 117.35 116.67 1py4 s TYR 26 Ca 0.43 -1.71 -0.30 0.00 -2.44 0.00 0.00 57.07 53.05 1py4 s TYR 26 Cb -0.10 -0.81 -0.03 0.00 0.35 0.00 0.00 41.96 41.38 1py4 s TYR 26 CO 0.35 -0.86 0.98 0.08 -1.34 0.00 0.00 175.55 174.76 1py4 s VAL 27 N 0.79 4.87 0.23 3.14 1.01 -1.05 -2.55 120.40 126.84 1py4 s VAL 27 Ca 0.23 2.06 -0.02 0.00 0.00 0.00 0.00 61.98 64.25 1py4 s VAL 27 Cb -0.13 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1py4 s VAL 27 CO -0.06 0.15 0.23 -0.55 0.00 0.00 0.00 175.10 174.87 1py4 s SER 28 N 1.01 0.33 0.00 3.32 0.15 -1.26 -1.94 113.70 115.31 1py4 s SER 28 Ca 0.52 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1py4 s SER 28 Cb -0.21 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1py4 s SER 28 CO 0.28 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1py4 n GLY 29 N -0.35 0.40 3.76 9.45 0.00 -1.00 -1.79 105.19 115.67 1py4 n GLY 29 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1py4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1py4 s PHE 30 N -2.05 3.21 -0.18 1.61 -0.71 -1.10 -4.30 117.98 114.46 1py4 s PHE 30 Ca 0.00 0.13 -0.11 0.00 -1.04 0.00 0.00 56.93 55.91 1py4 s PHE 30 Cb 0.00 -1.68 0.06 0.00 -1.21 0.00 0.00 43.02 40.19 1py4 s PHE 30 CO 0.00 0.52 0.45 -0.47 -1.34 0.00 0.00 175.22 174.38 1py4 s TYR 31 N -1.24 -0.64 0.00 3.49 5.04 0.05 -2.22 117.35 121.83 1py4 s TYR 31 Ca 0.24 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1py4 s TYR 31 Cb -0.12 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1py4 s TYR 31 CO 0.16 -0.35 0.00 -2.30 -1.34 0.00 0.00 175.55 171.72 1py4 n PRO 32 N 4.05 2.06 0.05 4.97 -0.02 -1.26 -0.24 135.00 144.61 1py4 n PRO 32 Ca -0.21 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.38 1py4 n PRO 32 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.97 1py4 n PRO 32 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1py4 n SER 33 N 0.00 0.48 -4.68 2.55 3.41 -1.26 -4.83 113.62 109.28 1py4 n SER 33 Ca 0.00 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 1py4 n SER 33 Cb 0.00 1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 1py4 n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1py4 s ASP 34 N -4.82 6.50 -0.14 4.04 -1.08 -1.26 -4.95 116.67 114.96 1py4 s ASP 34 Ca -0.03 2.61 -0.17 0.00 -0.52 0.00 0.00 52.55 54.44 1py4 s ASP 34 Cb 0.12 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1py4 s ASP 34 CO 0.84 -0.98 0.45 -0.51 0.52 0.00 0.00 175.17 175.50 1py4 s ILE 35 N 3.26 0.01 -0.16 4.11 2.07 -1.26 -4.67 121.20 124.56 1py4 s ILE 35 Ca 0.80 -0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.95 1py4 s ILE 35 Cb -0.42 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.49 1py4 s ILE 35 CO 0.36 -0.03 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.68 1py4 s GLU 36 N -0.05 3.55 0.09 3.50 2.02 -0.40 -4.97 118.70 122.44 1py4 s GLU 36 Ca -0.02 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.42 1py4 s GLU 36 Cb -0.03 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1py4 s GLU 36 CO 0.02 0.16 -0.10 0.08 0.02 0.00 0.00 175.26 175.44 1py4 s VAL 37 N 0.55 0.88 -0.03 2.63 1.01 -1.25 0.71 120.40 124.89 1py4 s VAL 37 Ca -0.04 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 1py4 s VAL 37 Cb -0.15 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1py4 s VAL 37 CO 0.03 -0.57 0.27 -1.81 0.00 0.00 0.00 175.10 173.02 1py4 s ASP 38 N -2.42 -0.17 0.42 3.32 1.01 0.03 -4.95 116.67 113.90 1py4 s ASP 38 Ca 0.05 0.14 0.08 0.00 0.71 0.00 0.00 52.55 53.53 1py4 s ASP 38 Cb -0.03 0.36 -0.00 0.00 1.01 0.00 0.00 42.92 44.26 1py4 s ASP 38 CO -0.00 -0.35 0.51 -0.76 0.21 0.00 0.00 175.17 174.77 1py4 s LEU 39 N -0.99 3.58 -0.02 1.23 1.43 -1.26 -2.55 118.68 120.09 1py4 s LEU 39 Ca -0.11 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1py4 s LEU 39 Cb -0.05 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.73 1py4 s LEU 39 CO 0.03 -0.72 0.36 -0.76 0.23 0.00 0.00 176.35 175.49 1py4 s LEU 40 N -4.27 0.64 -0.11 1.79 1.43 -1.26 -2.82 118.68 114.07 1py4 s LEU 40 Ca 0.53 0.20 0.14 0.00 -1.03 0.00 0.00 54.13 53.97 1py4 s LEU 40 Cb -0.08 1.44 0.26 0.00 0.03 0.00 0.00 46.19 47.84 1py4 s LEU 40 CO 0.31 -0.46 1.13 2.29 0.23 0.00 0.00 176.35 179.86 1py4 n LYS 41 N 1.29 1.02 0.00 1.70 2.85 -1.25 -4.84 118.16 118.92 1py4 n LYS 41 Ca -0.21 -2.36 0.00 0.00 -1.05 0.00 0.00 58.31 54.69 1py4 n LYS 41 Cb 0.56 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 1py4 n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1py4 n ASN 42 N -1.01 0.00 -2.01 -5.58 2.85 0.86 -4.61 115.26 105.77 1py4 n ASN 42 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1py4 n ASN 42 Cb 0.69 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.71 1py4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1py4 n GLY 43 N 0.00 -0.37 3.04 8.20 0.00 -1.26 -4.83 105.19 109.97 1py4 n GLY 43 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1py4 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1py4 s GLU 44 N -3.79 1.15 -0.59 1.61 2.56 -1.26 -5.09 118.70 113.28 1py4 s GLU 44 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 54.97 54.31 1py4 s GLU 44 Cb 0.00 -1.05 -0.02 0.00 2.00 0.00 0.00 34.13 35.05 1py4 s GLU 44 CO 0.00 0.17 1.88 0.50 -0.56 0.00 0.00 175.26 177.25 1py4 s ARG 45 N 0.07 2.63 1.04 4.30 6.06 -1.26 -3.81 118.95 127.98 1py4 s ARG 45 Ca -0.02 0.68 -0.17 0.00 -2.50 0.00 0.00 55.73 53.72 1py4 s ARG 45 Cb -0.08 -4.39 0.27 0.00 0.06 0.00 0.00 34.95 30.80 1py4 s ARG 45 CO 0.01 -2.72 0.61 -0.89 -2.50 0.00 0.00 175.30 169.80 1py4 n ILE 46 N 7.26 0.00 0.00 4.11 -0.00 -1.13 -5.01 119.36 124.59 1py4 n ILE 46 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 1py4 n ILE 46 Cb 0.52 -0.69 0.00 0.00 -0.00 0.00 0.00 39.64 39.47 1py4 n ILE 46 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1py4 n GLU 47 N -4.64 0.00 -0.28 0.38 0.00 -1.26 -4.84 120.64 110.00 1py4 n GLU 47 Ca 0.10 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.53 1py4 n GLU 47 Cb 0.42 -0.12 0.50 0.00 0.00 0.00 0.00 31.44 32.23 1py4 n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1py4 n LYS 48 N -2.19 -0.05 -1.82 3.44 4.76 -1.26 -4.80 118.16 116.24 1py4 n LYS 48 Ca 0.00 1.13 -0.36 0.00 -2.87 0.00 0.00 58.31 56.21 1py4 n LYS 48 Cb 0.00 -2.05 0.05 0.00 -1.84 0.00 0.00 35.03 31.20 1py4 n LYS 48 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1py4 s VAL 49 N -5.22 2.45 0.38 -0.18 0.11 -1.26 -4.93 120.40 111.74 1py4 s VAL 49 Ca -0.07 0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1py4 s VAL 49 Cb 0.28 -3.03 -0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1py4 s VAL 49 CO 0.65 -0.08 0.03 -0.62 -3.33 0.00 0.00 175.10 171.75 1py4 n GLU 50 N -1.93 0.96 -3.86 1.54 1.02 -0.18 -4.97 120.64 113.21 1py4 n GLU 50 Ca 0.14 -2.82 -0.11 0.00 -0.02 0.00 0.00 57.16 54.35 1py4 n GLU 50 Cb 0.49 0.92 -0.09 0.00 -0.02 0.00 0.00 31.44 32.75 1py4 n GLU 50 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1py4 s HIS 51 N -2.49 0.07 0.96 -0.32 -3.43 -1.26 -1.83 115.29 106.98 1py4 s HIS 51 Ca 0.04 -0.25 -0.12 0.00 -0.80 0.00 0.00 55.06 53.93 1py4 s HIS 51 Cb 0.00 -0.05 0.09 0.00 -1.43 0.00 0.00 32.58 31.19 1py4 s HIS 51 CO 0.03 -0.37 0.69 -1.13 -2.00 0.00 0.00 174.74 171.96 1py4 n SER 52 N 0.96 -1.17 -4.50 7.38 3.41 -0.10 -5.00 113.62 114.60 1py4 n SER 52 Ca -0.20 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 1py4 n SER 52 Cb 0.58 -1.30 0.18 0.00 -0.26 0.00 0.00 64.21 63.41 1py4 n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1py4 n ASP 53 N -2.61 -1.21 -4.85 4.04 8.00 -1.26 -4.74 116.55 113.91 1py4 n ASP 53 Ca 0.08 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.42 1py4 n ASP 53 Cb 0.53 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.30 1py4 n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1py4 s LEU 54 N -4.66 4.01 0.06 0.64 2.96 -1.26 -4.70 118.68 115.73 1py4 s LEU 54 Ca 0.63 1.25 -0.06 0.00 -0.22 0.00 0.00 54.13 55.72 1py4 s LEU 54 Cb -0.22 -4.07 -0.01 0.00 0.50 0.00 0.00 46.19 42.40 1py4 s LEU 54 CO 0.63 -0.25 0.12 -0.44 -1.32 0.00 0.00 176.35 175.10 1py4 s SER 55 N -2.47 0.21 -0.02 3.68 0.01 -1.20 -5.01 113.70 108.89 1py4 s SER 55 Ca 0.53 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.13 1py4 s SER 55 Cb -0.10 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.42 1py4 s SER 55 CO 0.20 -0.64 -0.06 0.12 0.41 0.00 0.00 173.24 173.27 1py4 s PHE 56 N -3.50 0.74 -0.04 2.43 2.19 -1.26 -1.32 117.98 117.22 1py4 s PHE 56 Ca 0.02 -0.18 0.07 0.00 0.33 0.00 0.00 56.93 57.18 1py4 s PHE 56 Cb 0.04 -0.56 -0.01 0.00 -1.31 0.00 0.00 43.02 41.17 1py4 s PHE 56 CO -0.09 -0.10 -0.25 0.45 1.83 0.00 0.00 175.22 177.07 1py4 s SER 57 N 0.34 2.94 0.55 6.13 0.15 -0.38 -4.93 113.70 118.50 1py4 s SER 57 Ca -0.05 -0.47 0.28 0.00 0.70 0.00 0.00 55.95 56.41 1py4 s SER 57 Cb -0.09 -0.56 1.46 0.00 -1.71 0.00 0.00 66.02 65.12 1py4 s SER 57 CO 0.00 0.27 1.97 0.07 1.20 0.00 0.00 173.24 176.75 1py4 h LYS 58 N 5.79 0.00 0.03 5.44 2.10 -2.01 0.17 116.57 128.09 1py4 h LYS 58 Ca -0.37 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 57.89 1py4 h LYS 58 Cb 1.15 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.42 1py4 h LYS 58 CO 0.47 0.00 -2.35 -0.25 -2.00 0.00 0.00 179.45 175.32 1py4 n ASP 59 N -4.13 2.01 -0.23 7.07 10.43 -1.26 -4.60 116.55 125.84 1py4 n ASP 59 Ca 0.10 -0.01 0.11 0.00 2.57 0.00 0.00 54.79 57.56 1py4 n ASP 59 Cb 0.64 -0.56 -0.01 0.00 1.84 0.00 0.00 41.12 43.04 1py4 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1py4 n TRP 60 N -3.42 0.00 -4.49 1.24 5.03 -1.10 -5.06 117.44 109.65 1py4 n TRP 60 Ca -0.43 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.10 1py4 n TRP 60 Cb 0.99 -0.03 0.00 0.00 -1.03 0.00 0.00 31.31 31.24 1py4 n TRP 60 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1py4 n SER 61 N -0.81 -2.59 -4.72 -0.99 7.64 0.58 -2.54 113.62 110.19 1py4 n SER 61 Ca 0.07 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.61 1py4 n SER 61 Cb 0.39 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.69 1py4 n SER 61 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1py4 s PHE 62 N 0.00 2.01 -0.30 1.43 0.40 -0.94 -1.25 117.98 119.33 1py4 s PHE 62 Ca 0.00 1.61 -0.17 0.00 -0.60 0.00 0.00 56.93 57.77 1py4 s PHE 62 Cb 0.00 -3.48 0.18 0.00 0.51 0.00 0.00 43.02 40.23 1py4 s PHE 62 CO 0.00 -2.66 1.13 1.52 0.70 0.00 0.00 175.22 175.91 1py4 s TYR 63 N -1.99 -0.36 0.21 0.36 -0.85 -0.43 -2.37 117.35 111.91 1py4 s TYR 63 Ca 0.74 0.65 0.06 0.00 -0.52 0.00 0.00 57.07 58.01 1py4 s TYR 63 Cb -0.29 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 1py4 s TYR 63 CO 0.46 -0.18 -0.11 -0.48 -1.52 0.00 0.00 175.55 173.72 1py4 s LEU 64 N 1.83 2.50 -0.25 -3.49 2.34 -0.82 -3.26 118.68 117.54 1py4 s LEU 64 Ca -0.04 -1.07 -0.09 0.00 0.06 0.00 0.00 54.13 53.00 1py4 s LEU 64 Cb -0.03 -0.56 -0.04 0.00 -0.56 0.00 0.00 46.19 45.00 1py4 s LEU 64 CO -0.15 -0.26 0.11 -0.22 -1.06 0.00 0.00 176.35 174.77 1py4 s LEU 65 N -3.31 3.69 -0.23 1.48 0.20 -1.26 -2.53 118.68 116.72 1py4 s LEU 65 Ca 0.23 -0.11 -0.10 0.00 0.69 0.00 0.00 54.13 54.84 1py4 s LEU 65 Cb 0.01 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 1py4 s LEU 65 CO 0.07 -0.02 0.16 -0.31 -0.29 0.00 0.00 176.35 175.95 1py4 s TYR 66 N 1.56 3.33 0.18 5.38 1.51 -1.11 -0.93 117.35 127.28 1py4 s TYR 66 Ca 0.06 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.40 1py4 s TYR 66 Cb -0.15 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1py4 s TYR 66 CO 0.06 0.11 -0.03 1.52 -1.11 0.00 0.00 175.55 176.10 1py4 s TYR 67 N 0.93 1.34 0.33 2.71 -0.00 -0.76 0.49 117.35 122.38 1py4 s TYR 67 Ca 0.08 -0.91 0.00 0.00 -0.00 0.00 0.00 57.07 56.24 1py4 s TYR 67 Cb -0.13 -0.75 -0.01 0.00 -0.00 0.00 0.00 41.96 41.07 1py4 s TYR 67 CO 0.03 -0.06 0.40 -0.08 -0.00 0.00 0.00 175.55 175.84 1py4 s THR 68 N -3.48 0.00 -0.44 -3.49 -1.32 -1.16 -1.02 115.64 104.74 1py4 s THR 68 Ca 0.23 -1.73 -0.25 0.00 -1.21 0.00 0.00 61.69 58.73 1py4 s THR 68 Cb 0.05 -2.58 0.02 0.00 -1.51 0.00 0.00 72.50 68.49 1py4 s THR 68 CO 0.04 0.00 0.88 -1.61 -2.21 0.00 0.00 174.62 171.72 1py4 s GLU 69 N -3.27 3.57 0.00 7.08 0.41 -1.26 -1.56 118.70 123.67 1py4 s GLU 69 Ca 0.34 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.07 1py4 s GLU 69 Cb 0.01 -3.90 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1py4 s GLU 69 CO 0.21 -1.12 0.00 0.34 -0.49 0.00 0.00 175.26 174.20 1py4 n PHE 70 N 6.94 0.00 -2.90 1.61 -0.00 -1.20 -4.87 117.46 117.04 1py4 n PHE 70 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1py4 n PHE 70 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.96 1py4 n PHE 70 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1py4 n THR 71 N -0.12 0.00 -0.29 -2.13 -1.04 -1.26 -2.73 114.28 106.70 1py4 n THR 71 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1py4 n THR 71 Cb 0.00 -0.31 0.02 0.00 -1.82 0.00 0.00 70.33 68.22 1py4 n THR 71 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1py4 n PRO 72 N -0.06 1.13 -3.82 -2.82 -0.02 -1.22 -4.71 135.00 123.48 1py4 n PRO 72 Ca 0.00 -0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.32 1py4 n PRO 72 Cb 0.00 -0.51 -0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1py4 n PRO 72 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1py4 s THR 73 N -0.98 0.00 0.00 3.45 -1.32 -1.26 -4.91 115.64 110.62 1py4 s THR 73 Ca 0.05 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1py4 s THR 73 Cb -0.01 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 1py4 s THR 73 CO 0.04 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.66 1py4 n GLU 74 N -0.51 0.00 -0.10 7.08 2.13 -1.26 -4.94 120.64 123.04 1py4 n GLU 74 Ca -0.05 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.80 1py4 n GLU 74 Cb 0.60 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.39 1py4 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1py4 n LYS 75 N -0.86 2.90 -4.07 5.31 4.81 -1.26 -5.01 118.16 119.98 1py4 n LYS 75 Ca 0.00 -1.83 -0.13 0.00 -0.87 0.00 0.00 58.31 55.47 1py4 n LYS 75 Cb 0.00 -1.17 -0.12 0.00 0.02 0.00 0.00 35.03 33.77 1py4 n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1py4 s ASP 76 N -1.06 0.88 0.51 3.14 1.01 -1.26 -5.13 116.67 114.75 1py4 s ASP 76 Ca 0.13 -0.53 0.06 0.00 0.71 0.00 0.00 52.55 52.92 1py4 s ASP 76 Cb 0.07 0.03 0.04 0.00 1.01 0.00 0.00 42.92 44.07 1py4 s ASP 76 CO 0.08 -0.19 0.70 -1.61 0.21 0.00 0.00 175.17 174.36 1py4 s GLU 77 N -1.52 2.56 -0.32 8.23 2.02 -1.26 -4.90 118.70 123.50 1py4 s GLU 77 Ca -0.09 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1py4 s GLU 77 Cb -0.10 -2.64 0.19 0.00 0.10 0.00 0.00 34.13 31.68 1py4 s GLU 77 CO 0.00 -0.59 0.77 0.71 0.02 0.00 0.00 175.26 176.17 1py4 s TYR 78 N -2.57 -1.31 0.23 1.61 1.51 -1.26 -0.10 117.35 115.46 1py4 s TYR 78 Ca 0.58 0.57 0.11 0.00 -1.01 0.00 0.00 57.07 57.32 1py4 s TYR 78 Cb -0.09 0.23 -0.05 0.00 -0.11 0.00 0.00 41.96 41.95 1py4 s TYR 78 CO 0.36 -0.81 -0.20 0.00 -1.11 0.00 0.00 175.55 173.80 1py4 s ALA 79 N 2.53 2.49 0.21 3.71 0.00 -0.22 0.20 121.76 130.68 1py4 s ALA 79 Ca 0.16 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 1py4 s ALA 79 Cb -0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 1py4 s ALA 79 CO -0.20 0.28 0.54 0.00 0.00 0.00 0.00 175.76 176.38 1py4 s ARG 81 N -2.66 1.67 -0.11 0.00 3.52 -1.06 -1.52 118.95 118.80 1py4 s ARG 81 Ca 0.45 -2.19 -0.02 0.00 -0.13 0.00 0.00 55.73 53.85 1py4 s ARG 81 Cb -0.12 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1py4 s ARG 81 CO 0.21 -1.02 -0.04 0.08 -0.81 0.00 0.00 175.30 173.72 1py4 s VAL 82 N 0.40 3.90 -0.09 7.11 1.01 -0.97 -0.79 120.40 130.97 1py4 s VAL 82 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1py4 s VAL 82 Cb -0.22 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1py4 s VAL 82 CO -0.05 0.56 -0.02 0.21 0.00 0.00 0.00 175.10 175.80 1py4 s ASN 83 N -0.35 1.78 -0.20 3.32 2.47 0.22 -2.99 114.94 119.19 1py4 s ASN 83 Ca 0.06 -0.16 -0.13 0.00 0.42 0.00 0.00 52.86 53.05 1py4 s ASN 83 Cb -0.12 -0.56 0.06 0.00 -1.45 0.00 0.00 41.25 39.18 1py4 s ASN 83 CO 0.02 -0.17 0.49 -2.28 -3.72 0.00 0.00 177.10 171.44 1py4 s HIS 84 N 1.89 -0.69 0.02 0.43 5.65 -1.26 -1.28 115.29 120.05 1py4 s HIS 84 Ca 0.05 1.49 -0.04 0.00 0.25 0.00 0.00 55.06 56.81 1py4 s HIS 84 Cb -0.12 0.33 -0.01 0.00 -1.18 0.00 0.00 32.58 31.60 1py4 s HIS 84 CO -0.06 -0.37 0.39 0.28 -0.65 0.00 0.00 174.74 174.34 1py4 n VAL 85 N 3.93 -0.09 0.31 0.89 0.31 -1.26 0.29 118.33 122.71 1py4 n VAL 85 Ca -0.20 0.60 0.04 0.00 -0.01 0.00 0.00 64.34 64.77 1py4 n VAL 85 Cb 0.56 -0.77 0.20 0.00 -0.91 0.00 0.00 33.84 32.92 1py4 n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1py4 h THR 86 N 0.00 0.00 -3.30 2.52 1.03 -1.89 -3.38 112.91 107.89 1py4 h THR 86 Ca 0.02 0.00 -0.67 0.00 -0.01 0.00 0.00 66.41 65.75 1py4 h THR 86 Cb 0.05 0.16 -0.32 0.00 -1.07 0.00 0.00 68.15 66.97 1py4 h THR 86 CO -0.12 0.00 -0.85 -0.76 -0.01 0.00 0.00 175.52 173.77 1py4 s LEU 87 N -4.98 2.22 0.11 0.00 2.01 0.84 -4.91 118.68 113.96 1py4 s LEU 87 Ca -0.01 -0.53 0.07 0.00 0.01 0.00 0.00 54.13 53.67 1py4 s LEU 87 Cb 0.02 -1.46 -0.21 0.00 0.01 0.00 0.00 46.19 44.55 1py4 s LEU 87 CO 0.07 0.13 1.23 0.77 1.01 0.00 0.00 176.35 179.56 1py4 h SER 88 N 6.93 0.01 -3.76 2.29 4.64 -1.79 -3.40 113.55 118.46 1py4 h SER 88 Ca -0.25 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.39 1py4 h SER 88 Cb 1.22 -0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.95 1py4 h SER 88 CO 0.51 1.00 -0.72 -1.58 -0.87 0.00 0.00 176.83 175.17 1py4 s GLN 89 N -2.70 2.11 0.00 4.77 2.00 -1.26 -4.97 119.66 119.62 1py4 s GLN 89 Ca 0.00 -1.49 0.00 0.00 -2.00 0.00 0.00 55.36 51.88 1py4 s GLN 89 Cb 0.10 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.78 1py4 s GLN 89 CO 0.82 -0.72 0.00 -2.30 -0.50 0.00 0.00 175.29 172.59 1py4 n PRO 90 N 4.47 0.00 -0.71 1.67 -0.02 -1.26 -4.62 135.00 134.53 1py4 n PRO 90 Ca -0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.13 1py4 n PRO 90 Cb 0.42 -0.31 -0.03 0.00 -0.02 0.00 0.00 33.50 33.56 1py4 n PRO 90 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1py4 n LYS 91 N 0.84 0.00 -4.34 -0.52 4.76 -1.16 -4.37 118.16 113.37 1py4 n LYS 91 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1py4 n LYS 91 Cb 0.00 -0.64 -0.08 0.00 -1.84 0.00 0.00 35.03 32.47 1py4 n LYS 91 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1py4 s ILE 92 N -0.16 3.17 0.26 -0.18 1.09 -1.24 -2.29 121.20 121.84 1py4 s ILE 92 Ca 0.39 -2.03 -0.08 0.00 -1.10 0.00 0.00 60.65 57.83 1py4 s ILE 92 Cb -0.56 -2.68 0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1py4 s ILE 92 CO 0.27 -0.36 0.49 0.52 -0.10 0.00 0.00 174.94 175.76 1py4 n VAL 93 N -0.75 0.00 -3.66 2.92 0.31 -0.58 -4.79 118.33 111.78 1py4 n VAL 93 Ca -0.06 -0.77 -0.13 0.00 -0.01 0.00 0.00 64.34 63.37 1py4 n VAL 93 Cb 0.59 0.68 -0.08 0.00 -0.91 0.00 0.00 33.84 34.12 1py4 n VAL 93 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1py4 s LYS 94 N -2.16 0.71 -0.16 5.55 2.20 -1.24 0.23 119.74 124.88 1py4 s LYS 94 Ca 0.12 0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 56.65 1py4 s LYS 94 Cb -0.03 0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.67 1py4 s LYS 94 CO 0.09 -0.10 2.19 1.87 -0.36 0.00 0.00 175.35 179.04 1py4 n TRP 95 N 3.05 0.71 0.00 4.03 -0.00 0.53 -4.70 117.44 121.06 1py4 n TRP 95 Ca -0.15 -1.49 0.00 0.00 -0.00 0.00 0.00 57.50 55.86 1py4 n TRP 95 Cb 0.56 -0.83 0.00 0.00 -0.00 0.00 0.00 31.31 31.04 1py4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1py4 n ASP 96 N 1.08 0.00 0.00 5.87 2.03 -1.26 -4.95 116.55 119.32 1py4 n ASP 96 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1py4 n ASP 96 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1py4 n ASP 96 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14