#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpr s ILE 1 N 0.00 1.76 -0.07 1.12 -1.09 -1.26 -5.15 121.20 116.51 1kpr s ILE 1 Ca 0.00 -0.90 0.03 0.00 -2.23 0.00 0.00 60.65 57.54 1kpr s ILE 1 Cb 0.00 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 1kpr s ILE 1 CO 0.00 0.50 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.96 1kpr s GLN 2 N -0.05 1.99 -0.12 2.79 -0.21 -1.26 -4.59 119.66 118.20 1kpr s GLN 2 Ca -0.04 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.85 1kpr s GLN 2 Cb -0.13 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.30 1kpr s GLN 2 CO 0.03 0.05 -0.17 1.03 -2.12 0.00 0.00 175.29 174.11 1kpr s ARG 3 N 0.61 2.47 0.33 2.91 0.52 -0.45 -4.94 118.95 120.41 1kpr s ARG 3 Ca -0.15 -0.65 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 1kpr s ARG 3 Cb -0.16 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 1kpr s ARG 3 CO 0.05 -0.05 1.06 0.99 0.02 0.00 0.00 175.30 177.36 1kpr s THR 4 N 0.95 3.65 0.34 0.02 2.01 -1.26 -1.52 115.64 119.84 1kpr s THR 4 Ca -0.06 1.46 -0.28 0.00 0.31 0.00 0.00 61.69 63.12 1kpr s THR 4 Cb -0.15 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 1kpr s THR 4 CO -0.02 0.20 1.27 -2.16 -0.69 0.00 0.00 174.62 173.22 1kpr s PRO 5 N -1.93 4.29 -0.18 4.92 0.04 -1.26 -4.40 135.00 136.48 1kpr s PRO 5 Ca 0.51 2.13 -0.08 0.00 0.04 0.00 0.00 61.00 63.60 1kpr s PRO 5 Cb -0.27 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1kpr s PRO 5 CO 0.34 -0.21 0.08 0.15 0.04 0.00 0.00 177.00 177.40 1kpr s LYS 6 N -1.88 3.96 0.09 4.56 1.02 -0.17 -4.90 119.74 122.43 1kpr s LYS 6 Ca 0.50 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.26 1kpr s LYS 6 Cb -0.38 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1kpr s LYS 6 CO 0.50 0.33 -0.12 0.42 -0.92 0.00 0.00 175.35 175.56 1kpr s ILE 7 N 0.23 3.25 -0.15 2.17 1.01 -1.26 -1.36 121.20 125.10 1kpr s ILE 7 Ca 0.05 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.39 1kpr s ILE 7 Cb -0.12 -2.50 0.07 0.00 0.01 0.00 0.00 42.46 39.93 1kpr s ILE 7 CO -0.00 0.15 0.31 -1.10 0.00 0.00 0.00 174.94 174.30 1kpr s GLN 8 N -2.07 0.20 -0.14 2.79 -0.21 -0.94 -4.95 119.66 114.35 1kpr s GLN 8 Ca 0.20 0.83 -0.04 0.00 0.02 0.00 0.00 55.36 56.37 1kpr s GLN 8 Cb -0.11 0.07 -0.03 0.00 1.00 0.00 0.00 33.01 33.94 1kpr s GLN 8 CO 0.12 -0.27 0.00 0.08 -2.12 0.00 0.00 175.29 173.10 1kpr s VAL 9 N 2.43 4.26 -0.05 1.09 1.01 -1.25 -0.75 120.40 127.13 1kpr s VAL 9 Ca -0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1kpr s VAL 9 Cb -0.12 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.52 1kpr s VAL 9 CO -0.10 0.52 0.99 -0.72 0.00 0.00 0.00 175.10 175.80 1kpr s TYR 10 N -0.05 -0.27 0.36 5.22 1.13 0.55 -4.65 117.35 119.64 1kpr s TYR 10 Ca 0.03 0.15 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 1kpr s TYR 10 Cb -0.13 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.25 1kpr s TYR 10 CO 0.02 -0.45 0.55 -1.54 -2.51 0.00 0.00 175.55 171.62 1kpr s SER 11 N -2.43 6.12 0.08 -0.18 1.04 -1.26 -0.67 113.70 116.40 1kpr s SER 11 Ca 0.07 0.27 -0.19 0.00 0.48 0.00 0.00 55.95 56.58 1kpr s SER 11 Cb -0.01 -1.76 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 1kpr s SER 11 CO -0.07 -0.41 1.51 -0.09 0.98 0.00 0.00 173.24 175.16 1kpr h ARG 12 N 0.71 0.39 -6.45 4.02 9.65 -0.77 -3.45 114.38 118.48 1kpr h ARG 12 Ca -0.48 -0.12 -0.63 0.00 -1.10 0.00 0.00 59.98 57.64 1kpr h ARG 12 Cb 1.24 -0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 1kpr h ARG 12 CO 0.59 0.58 -0.76 -1.01 2.80 0.00 0.00 179.97 182.17 1kpr s HIS 13 N -4.96 2.45 0.31 2.20 3.76 -1.26 -5.04 115.29 112.74 1kpr s HIS 13 Ca -0.14 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 1kpr s HIS 13 Cb 0.07 -1.17 -0.11 0.00 1.11 0.00 0.00 32.58 32.47 1kpr s HIS 13 CO 0.74 0.55 1.60 -2.30 -0.85 0.00 0.00 174.74 174.48 1kpr n PRO 14 N -0.07 2.75 -1.68 8.40 -0.02 -1.26 -4.78 135.00 138.34 1kpr n PRO 14 Ca -0.10 0.98 -0.55 0.00 -2.02 0.00 0.00 63.50 61.81 1kpr n PRO 14 Cb 0.57 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 1kpr n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kpr n ALA 15 N 1.99 -0.19 -3.66 3.55 0.00 -1.26 -4.95 120.51 115.99 1kpr n ALA 15 Ca 0.08 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1kpr n ALA 15 Cb 0.37 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 1kpr n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1kpr s GLU 16 N 2.83 1.42 0.01 0.00 2.56 -1.26 -5.07 118.70 119.18 1kpr s GLU 16 Ca 0.94 -2.30 -0.12 0.00 0.00 0.00 0.00 54.97 53.50 1kpr s GLU 16 Cb -0.99 -2.31 -0.06 0.00 2.00 0.00 0.00 34.13 32.78 1kpr s GLU 16 CO 0.59 -1.25 0.31 0.09 -0.56 0.00 0.00 175.26 174.44 1kpr n ASN 17 N 3.05 -0.04 0.00 -1.70 3.02 -1.26 0.44 115.26 118.77 1kpr n ASN 17 Ca 0.16 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1kpr n ASN 17 Cb 0.38 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1kpr n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpr n GLY 18 N 0.47 2.38 3.65 7.41 0.00 -1.05 -4.96 105.19 113.10 1kpr n GLY 18 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1kpr n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kpr s LYS 19 N 0.00 4.20 0.87 1.61 0.00 1.53 -5.00 119.74 122.94 1kpr s LYS 19 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 55.97 56.44 1kpr s LYS 19 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 37.83 34.19 1kpr s LYS 19 CO 0.00 -0.28 0.07 0.45 0.00 0.00 0.00 175.35 175.59 1kpr n SER 20 N 5.19 -3.04 0.00 0.03 2.88 -1.26 -4.42 113.62 113.00 1kpr n SER 20 Ca -0.01 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1kpr n SER 20 Cb 0.49 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1kpr n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1kpr n ASN 21 N 0.55 0.00 -3.68 -3.46 2.85 0.60 -4.91 115.26 107.22 1kpr n ASN 21 Ca 0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.41 1kpr n ASN 21 Cb 0.53 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.43 1kpr n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1kpr s PHE 22 N -1.82 -0.54 0.08 1.20 0.08 -1.26 -2.20 117.98 113.51 1kpr s PHE 22 Ca 0.00 1.15 -0.13 0.00 0.12 0.00 0.00 56.93 58.07 1kpr s PHE 22 Cb 0.00 0.14 -0.06 0.00 -0.57 0.00 0.00 43.02 42.53 1kpr s PHE 22 CO 0.00 -0.36 0.46 -1.17 -0.10 0.00 0.00 175.22 174.05 1kpr s LEU 23 N 1.99 4.39 -0.02 -0.37 2.96 0.22 0.01 118.68 127.86 1kpr s LEU 23 Ca -0.04 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1kpr s LEU 23 Cb -0.11 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.63 1kpr s LEU 23 CO -0.11 0.20 -0.05 0.20 -1.32 0.00 0.00 176.35 175.27 1kpr s ASN 24 N -1.51 0.78 -0.14 3.68 0.01 0.16 -1.88 114.94 116.04 1kpr s ASN 24 Ca 0.32 -0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.38 1kpr s ASN 24 Cb -0.15 -0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.29 1kpr s ASN 24 CO 0.17 0.02 -0.21 0.00 -1.51 0.00 0.00 177.10 175.57 1kpr s TYR 26 N 0.85 2.49 -0.11 0.00 5.04 0.07 -0.36 117.35 125.33 1kpr s TYR 26 Ca -0.06 -1.69 -0.03 0.00 -2.44 0.00 0.00 57.07 52.85 1kpr s TYR 26 Cb -0.15 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.47 1kpr s TYR 26 CO -0.02 -0.76 0.01 0.14 -1.34 0.00 0.00 175.55 173.58 1kpr s VAL 27 N 1.37 4.38 0.22 3.14 -7.23 -0.33 -2.20 120.40 119.75 1kpr s VAL 27 Ca -0.03 -0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1kpr s VAL 27 Cb -0.17 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1kpr s VAL 27 CO -0.08 0.57 0.51 -0.94 -0.31 0.00 0.00 175.10 174.86 1kpr s SER 28 N -0.55 -0.16 -1.90 4.85 1.04 -0.46 -0.89 113.70 115.63 1kpr s SER 28 Ca 0.10 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1kpr s SER 28 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1kpr s SER 28 CO 0.02 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1kpr n GLY 29 N -0.36 0.70 3.76 7.32 0.00 -0.02 -1.00 105.19 115.59 1kpr n GLY 29 Ca -0.06 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1kpr n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kpr s PHE 30 N -2.87 3.08 -0.22 1.61 -0.71 -1.19 -4.25 117.98 113.44 1kpr s PHE 30 Ca 0.00 -0.02 -0.11 0.00 -1.04 0.00 0.00 56.93 55.75 1kpr s PHE 30 Cb 0.00 -1.51 0.07 0.00 -1.21 0.00 0.00 43.02 40.37 1kpr s PHE 30 CO 0.00 0.52 0.52 -1.58 -1.34 0.00 0.00 175.22 173.33 1kpr s HIS 31 N -1.64 -0.81 0.65 3.49 2.46 -0.58 -1.24 115.29 117.63 1kpr s HIS 31 Ca 0.29 1.65 -0.07 0.00 0.47 0.00 0.00 55.06 57.40 1kpr s HIS 31 Cb -0.10 0.42 0.03 0.00 -0.13 0.00 0.00 32.58 32.80 1kpr s HIS 31 CO 0.22 -0.43 0.98 -1.25 -2.47 0.00 0.00 174.74 171.79 1kpr s PRO 32 N 1.64 2.65 0.00 2.88 0.04 -1.26 -1.34 135.00 139.62 1kpr s PRO 32 Ca -0.09 0.01 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1kpr s PRO 32 Cb -0.08 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1kpr s PRO 32 CO -0.16 -0.96 0.47 -1.13 0.04 0.00 0.00 177.00 175.26 1kpr n SER 33 N -2.79 0.00 -4.70 6.66 3.41 -1.26 -4.70 113.62 110.24 1kpr n SER 33 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 1kpr n SER 33 Cb 0.58 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1kpr n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kpr s ASP 34 N -1.93 7.19 -0.13 4.04 1.01 -1.26 -5.00 116.67 120.58 1kpr s ASP 34 Ca 0.00 1.45 -0.17 0.00 0.71 0.00 0.00 52.55 54.54 1kpr s ASP 34 Cb 0.00 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.46 1kpr s ASP 34 CO 0.00 -0.31 0.44 -0.51 0.21 0.00 0.00 175.17 175.01 1kpr s ILE 35 N 1.43 0.01 -0.18 0.77 2.07 -1.26 -4.74 121.20 119.30 1kpr s ILE 35 Ca 0.46 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 1kpr s ILE 35 Cb -0.19 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1kpr s ILE 35 CO 0.21 -0.05 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.54 1kpr s GLU 36 N -0.17 3.56 -0.10 3.50 2.02 -0.79 -4.91 118.70 121.81 1kpr s GLU 36 Ca -0.03 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 1kpr s GLU 36 Cb -0.03 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.26 1kpr s GLU 36 CO 0.02 0.06 -0.00 0.08 0.02 0.00 0.00 175.26 175.44 1kpr s VAL 37 N 0.84 0.49 -0.05 2.63 1.01 -1.26 0.19 120.40 124.25 1kpr s VAL 37 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1kpr s VAL 37 Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1kpr s VAL 37 CO 0.02 0.18 -0.23 -1.81 0.00 0.00 0.00 175.10 173.26 1kpr s ASP 38 N 1.92 3.23 -0.17 3.32 1.01 0.26 -4.95 116.67 121.28 1kpr s ASP 38 Ca 0.04 -0.46 -0.17 0.00 0.71 0.00 0.00 52.55 52.67 1kpr s ASP 38 Cb -0.13 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.98 1kpr s ASP 38 CO -0.06 0.27 0.45 -0.76 0.21 0.00 0.00 175.17 175.28 1kpr s LEU 39 N -0.29 4.20 -0.05 1.23 1.43 -1.26 0.15 118.68 124.08 1kpr s LEU 39 Ca 0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1kpr s LEU 39 Cb -0.13 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1kpr s LEU 39 CO 0.02 -0.07 -0.02 -0.76 0.23 0.00 0.00 176.35 175.76 1kpr s LEU 40 N 1.12 3.45 -0.42 1.79 1.43 0.67 -1.18 118.68 125.54 1kpr s LEU 40 Ca 0.23 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1kpr s LEU 40 Cb -0.15 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.34 1kpr s LEU 40 CO 0.09 0.34 0.18 -0.75 0.23 0.00 0.00 176.35 176.44 1kpr s LYS 41 N -1.11 1.41 -0.93 1.70 2.20 0.50 -1.35 119.74 122.16 1kpr s LYS 41 Ca 0.15 -1.98 -0.00 0.00 -0.36 0.00 0.00 55.97 53.77 1kpr s LYS 41 Cb -0.11 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1kpr s LYS 41 CO 0.05 -1.07 0.78 0.09 -0.36 0.00 0.00 175.35 174.83 1kpr n ASN 42 N 3.79 -2.25 0.00 1.43 5.03 0.12 -2.01 115.26 121.37 1kpr n ASN 42 Ca 0.05 -0.49 0.00 0.00 0.87 0.00 0.00 54.58 55.01 1kpr n ASN 42 Cb 0.37 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 35.00 1kpr n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kpr n GLY 43 N -1.11 2.35 3.82 7.41 0.00 -1.26 -5.00 105.19 111.40 1kpr n GLY 43 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1kpr n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kpr s GLU 44 N 0.00 4.22 -0.26 1.61 2.12 -0.85 -4.99 118.70 120.56 1kpr s GLU 44 Ca 0.00 1.06 -0.22 0.00 0.36 0.00 0.00 54.97 56.17 1kpr s GLU 44 Cb 0.00 -2.28 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 1kpr s GLU 44 CO 0.00 0.03 0.70 -0.98 -0.54 0.00 0.00 175.26 174.47 1kpr s ARG 45 N -3.03 4.11 0.09 4.30 1.70 -1.26 -0.37 118.95 124.49 1kpr s ARG 45 Ca 0.59 0.66 -0.31 0.00 -0.47 0.00 0.00 55.73 56.21 1kpr s ARG 45 Cb -0.10 -3.66 -0.09 0.00 -0.57 0.00 0.00 34.95 30.53 1kpr s ARG 45 CO 0.15 -0.47 1.73 0.42 -1.08 0.00 0.00 175.30 176.05 1kpr s ILE 46 N 2.64 2.84 0.83 4.99 1.01 -0.33 -4.95 121.20 128.24 1kpr s ILE 46 Ca 0.29 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1kpr s ILE 46 Cb -0.15 -3.20 0.16 0.00 0.01 0.00 0.00 42.46 39.28 1kpr s ILE 46 CO 0.08 -0.00 1.15 -1.61 0.00 0.00 0.00 174.94 174.56 1kpr s GLU 47 N 2.74 1.21 -1.43 2.79 2.02 -1.26 -4.42 118.70 120.35 1kpr s GLU 47 Ca 0.77 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.89 1kpr s GLU 47 Cb -0.42 -2.11 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1kpr s GLU 47 CO 0.34 -1.89 0.64 1.63 0.02 0.00 0.00 175.26 176.00 1kpr n LYS 48 N -3.26 -4.49 -1.83 1.61 4.01 -1.26 -4.99 118.16 107.94 1kpr n LYS 48 Ca 0.15 0.67 -0.29 0.00 -0.51 0.00 0.00 58.31 58.33 1kpr n LYS 48 Cb 0.60 -5.48 0.08 0.00 -0.51 0.00 0.00 35.03 29.72 1kpr n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1kpr s VAL 49 N -3.10 2.44 0.16 -0.18 1.01 -1.26 -4.95 120.40 114.52 1kpr s VAL 49 Ca 0.41 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1kpr s VAL 49 Cb -0.20 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1kpr s VAL 49 CO 0.51 -0.19 0.03 -1.61 0.00 0.00 0.00 175.10 173.84 1kpr s GLU 50 N -5.46 1.05 0.30 2.72 2.02 -0.67 -4.96 118.70 113.70 1kpr s GLU 50 Ca 0.61 -1.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.04 1kpr s GLU 50 Cb -0.12 -0.08 -0.00 0.00 0.10 0.00 0.00 34.13 34.03 1kpr s GLU 50 CO 0.50 -0.19 0.44 -3.38 0.02 0.00 0.00 175.26 172.66 1kpr s HIS 51 N -3.81 0.89 0.69 1.61 -3.43 -1.25 -0.25 115.29 109.74 1kpr s HIS 51 Ca 0.25 -1.15 -0.00 0.00 -0.80 0.00 0.00 55.06 53.35 1kpr s HIS 51 Cb 0.07 -0.06 0.11 0.00 -1.43 0.00 0.00 32.58 31.26 1kpr s HIS 51 CO 0.04 -1.04 0.96 -1.54 -2.00 0.00 0.00 174.74 171.15 1kpr s SER 52 N -3.17 4.51 -0.13 7.38 1.04 -0.77 -4.95 113.70 117.61 1kpr s SER 52 Ca 0.29 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 1kpr s SER 52 Cb 0.00 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 1kpr s SER 52 CO 0.16 -1.74 1.06 -1.81 0.98 0.00 0.00 173.24 171.89 1kpr s ASP 53 N -4.69 7.17 -0.12 7.02 1.01 -1.26 -4.79 116.67 121.01 1kpr s ASP 53 Ca 0.65 1.55 -0.41 0.00 0.71 0.00 0.00 52.55 55.05 1kpr s ASP 53 Cb -0.06 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.13 1kpr s ASP 53 CO 0.43 -0.54 1.32 -0.11 0.21 0.00 0.00 175.17 176.49 1kpr n LEU 54 N 5.41 0.89 -3.87 1.23 7.94 -1.26 -4.97 117.00 122.37 1kpr n LEU 54 Ca 0.10 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.04 1kpr n LEU 54 Cb 0.47 -1.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.34 1kpr n LEU 54 CO 0.53 -1.32 -0.15 -0.55 -1.11 0.00 0.00 177.39 174.79 1kpr s SER 55 N 1.16 0.07 0.46 1.96 0.15 -1.22 -5.05 113.70 111.23 1kpr s SER 55 Ca 0.93 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1kpr s SER 55 Cb -1.23 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 1kpr s SER 55 CO 0.61 -0.49 0.04 0.72 1.20 0.00 0.00 173.24 175.32 1kpr s PHE 56 N -2.24 1.95 0.00 3.44 -0.12 -1.26 0.28 117.98 120.03 1kpr s PHE 56 Ca -0.08 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.81 1kpr s PHE 56 Cb -0.03 -1.50 0.00 0.00 -0.63 0.00 0.00 43.02 40.86 1kpr s PHE 56 CO -0.02 0.12 0.00 -1.13 -0.05 0.00 0.00 175.22 174.13 1kpr n SER 57 N -1.19 1.56 0.23 1.98 3.41 0.26 -4.89 113.62 114.97 1kpr n SER 57 Ca -0.13 -0.46 0.08 0.00 -0.26 0.00 0.00 58.87 58.10 1kpr n SER 57 Cb 0.66 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.15 1kpr n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1kpr h LYS 58 N 0.00 0.00 -0.69 4.33 3.64 -2.02 -1.64 116.57 120.19 1kpr h LYS 58 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1kpr h LYS 58 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1kpr h LYS 58 CO 0.00 0.23 0.03 -0.40 -2.27 0.00 0.00 179.45 177.03 1kpr n ASP 59 N -3.90 4.61 -0.04 4.20 5.75 -1.26 -4.89 116.55 121.02 1kpr n ASP 59 Ca -0.02 -2.75 -0.01 0.00 -0.01 0.00 0.00 54.79 52.01 1kpr n ASP 59 Cb 0.31 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1kpr n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1kpr n TRP 60 N 0.42 0.00 -2.34 2.11 7.02 -0.61 -4.96 117.44 119.07 1kpr n TRP 60 Ca 0.23 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.38 1kpr n TRP 60 Cb 1.01 -1.94 -0.02 0.00 -2.42 0.00 0.00 31.31 27.93 1kpr n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1kpr s SER 61 N -2.02 6.40 0.29 -0.99 1.04 -1.26 -4.62 113.70 112.54 1kpr s SER 61 Ca 0.00 1.67 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1kpr s SER 61 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 1kpr s SER 61 CO 0.00 -0.74 0.48 -0.36 0.98 0.00 0.00 173.24 173.59 1kpr s PHE 62 N -2.51 3.48 -0.01 5.02 0.08 -0.37 0.91 117.98 124.58 1kpr s PHE 62 Ca 0.61 0.28 -0.09 0.00 0.12 0.00 0.00 56.93 57.85 1kpr s PHE 62 Cb -0.12 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1kpr s PHE 62 CO 0.31 0.24 0.19 1.52 -0.10 0.00 0.00 175.22 177.39 1kpr s TYR 63 N -2.14 -0.06 0.00 0.36 -0.85 0.14 -0.84 117.35 113.97 1kpr s TYR 63 Ca 0.38 0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.90 1kpr s TYR 63 Cb -0.10 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.26 1kpr s TYR 63 CO 0.33 -0.29 0.22 -0.51 -1.52 0.00 0.00 175.55 173.78 1kpr s LEU 64 N -1.15 1.21 -0.17 -3.49 1.43 -0.06 -3.40 118.68 113.05 1kpr s LEU 64 Ca -0.12 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1kpr s LEU 64 Cb -0.06 0.99 0.01 0.00 0.03 0.00 0.00 46.19 47.16 1kpr s LEU 64 CO 0.02 -0.45 -0.18 -0.22 0.23 0.00 0.00 176.35 175.75 1kpr s LEU 65 N -1.52 2.25 -0.11 1.79 2.96 -1.26 -1.18 118.68 121.60 1kpr s LEU 65 Ca -0.12 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 1kpr s LEU 65 Cb -0.05 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1kpr s LEU 65 CO 0.01 0.02 0.03 -0.31 -1.32 0.00 0.00 176.35 174.79 1kpr s TYR 66 N 1.15 3.24 0.19 5.38 1.51 0.51 -1.84 117.35 127.49 1kpr s TYR 66 Ca 0.01 0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 56.06 1kpr s TYR 66 Cb -0.14 -1.85 0.06 0.00 -0.11 0.00 0.00 41.96 39.91 1kpr s TYR 66 CO -0.08 0.45 0.63 1.52 -1.11 0.00 0.00 175.55 176.96 1kpr s TYR 67 N -0.70 -0.44 0.09 2.71 1.13 0.65 -0.27 117.35 120.52 1kpr s TYR 67 Ca 0.11 0.16 -0.24 0.00 -1.41 0.00 0.00 57.07 55.70 1kpr s TYR 67 Cb -0.12 0.60 0.06 0.00 -1.10 0.00 0.00 41.96 41.40 1kpr s TYR 67 CO 0.02 -0.95 0.58 -0.08 -2.51 0.00 0.00 175.55 172.61 1kpr s THR 68 N -3.80 0.01 0.05 -3.49 -1.32 -0.79 -1.67 115.64 104.64 1kpr s THR 68 Ca 0.04 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.11 1kpr s THR 68 Cb -0.02 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1kpr s THR 68 CO -0.08 -0.06 1.08 -0.70 -2.21 0.00 0.00 174.62 172.65 1kpr s GLU 69 N -2.99 4.52 0.26 7.08 2.12 -1.26 0.73 118.70 129.16 1kpr s GLU 69 Ca -0.02 1.59 -0.14 0.00 0.36 0.00 0.00 54.97 56.76 1kpr s GLU 69 Cb -0.00 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1kpr s GLU 69 CO -0.06 -0.11 0.53 -0.59 -0.54 0.00 0.00 175.26 174.49 1kpr s PHE 70 N 0.87 0.31 -0.37 5.30 -0.71 -0.93 -4.85 117.98 117.60 1kpr s PHE 70 Ca 0.54 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.75 1kpr s PHE 70 Cb -0.25 0.28 0.11 0.00 -1.21 0.00 0.00 43.02 41.95 1kpr s PHE 70 CO 0.29 -1.07 0.14 0.99 -1.34 0.00 0.00 175.22 174.24 1kpr s THR 71 N -3.87 1.38 0.79 -4.49 2.01 -1.26 -0.29 115.64 109.91 1kpr s THR 71 Ca 0.21 -2.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.02 1kpr s THR 71 Cb -0.02 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 1kpr s THR 71 CO 0.10 -0.74 -0.15 -0.81 -0.69 0.00 0.00 174.62 172.33 1kpr n PRO 72 N 4.25 0.05 -3.73 4.92 -0.04 -1.26 -4.72 135.00 134.47 1kpr n PRO 72 Ca 0.03 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 1kpr n PRO 72 Cb 0.39 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1kpr n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kpr s THR 73 N -2.02 0.10 0.17 0.52 2.01 -1.26 -2.52 115.64 112.64 1kpr s THR 73 Ca 0.53 -0.79 0.14 0.00 0.31 0.00 0.00 61.69 61.88 1kpr s THR 73 Cb -0.31 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.04 1kpr s THR 73 CO 0.70 -0.44 1.61 -0.08 -0.69 0.00 0.00 174.62 175.72 1kpr h GLU 74 N 2.65 0.00 0.00 4.92 4.81 -1.98 -3.35 114.58 121.63 1kpr h GLU 74 Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1kpr h GLU 74 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1kpr h GLU 74 CO 0.50 0.55 -0.08 -0.22 -0.73 0.00 0.00 179.01 179.03 1kpr h LYS 75 N 0.00 0.00 -6.27 1.92 3.11 -2.01 -3.47 116.57 109.85 1kpr h LYS 75 Ca -0.01 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 57.16 1kpr h LYS 75 Cb 1.12 0.00 0.05 0.00 -1.00 0.00 0.00 32.23 32.41 1kpr h LYS 75 CO 0.07 0.60 0.47 -0.25 -2.81 0.00 0.00 179.45 177.53 1kpr n ASP 76 N -4.66 1.69 -4.61 4.20 8.00 -1.26 -4.98 116.55 114.93 1kpr n ASP 76 Ca -0.07 1.12 -0.38 0.00 0.71 0.00 0.00 54.79 56.16 1kpr n ASP 76 Cb 0.31 -1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.11 1kpr n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kpr s GLU 77 N 0.57 3.99 0.06 -1.24 0.41 -1.26 -4.70 118.70 116.53 1kpr s GLU 77 Ca 0.85 -0.20 0.08 0.00 -0.41 0.00 0.00 54.97 55.29 1kpr s GLU 77 Cb -0.95 -3.64 -0.03 0.00 -1.78 0.00 0.00 34.13 27.73 1kpr s GLU 77 CO 0.47 -0.16 -0.21 0.71 -0.49 0.00 0.00 175.26 175.58 1kpr s TYR 78 N 1.72 2.47 0.36 1.61 2.02 -1.26 0.11 117.35 124.38 1kpr s TYR 78 Ca 0.10 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1kpr s TYR 78 Cb -0.16 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1kpr s TYR 78 CO 0.10 0.24 0.69 0.00 -1.57 0.00 0.00 175.55 175.01 1kpr s ALA 79 N -0.93 -0.38 -0.02 3.71 0.00 -0.46 0.27 121.76 123.96 1kpr s ALA 79 Ca 0.14 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1kpr s ALA 79 Cb -0.10 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1kpr s ALA 79 CO 0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 175.76 174.71 1kpr s ARG 81 N -0.33 2.39 -0.01 0.00 3.52 0.39 -1.86 118.95 123.04 1kpr s ARG 81 Ca 0.05 -0.68 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 1kpr s ARG 81 Cb -0.07 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.43 1kpr s ARG 81 CO -0.00 0.14 -0.17 0.08 -0.81 0.00 0.00 175.30 174.54 1kpr s VAL 82 N 0.40 1.32 0.06 7.11 1.01 0.04 0.91 120.40 131.26 1kpr s VAL 82 Ca -0.15 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1kpr s VAL 82 Cb -0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1kpr s VAL 82 CO 0.06 0.37 -0.21 0.21 0.00 0.00 0.00 175.10 175.53 1kpr s ASN 83 N -0.39 2.55 -0.22 3.32 3.84 0.51 -1.74 114.94 122.81 1kpr s ASN 83 Ca 0.06 -0.58 -0.28 0.00 0.21 0.00 0.00 52.86 52.27 1kpr s ASN 83 Cb -0.06 -0.19 0.15 0.00 -0.55 0.00 0.00 41.25 40.59 1kpr s ASN 83 CO -0.01 0.14 1.12 -2.28 -2.79 0.00 0.00 177.10 173.28 1kpr s HIS 84 N -0.91 -0.29 0.30 0.43 5.65 -1.26 -1.88 115.29 117.33 1kpr s HIS 84 Ca 0.08 0.57 -0.00 0.00 0.25 0.00 0.00 55.06 55.95 1kpr s HIS 84 Cb -0.09 0.45 0.68 0.00 -1.18 0.00 0.00 32.58 32.43 1kpr s HIS 84 CO 0.03 -0.23 1.58 -0.24 -0.65 0.00 0.00 174.74 175.23 1kpr h VAL 85 N 2.71 0.06 0.00 0.89 3.04 -1.93 1.84 116.25 122.87 1kpr h VAL 85 Ca -0.19 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1kpr h VAL 85 Cb 1.17 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1kpr h VAL 85 CO 0.24 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.16 1kpr n THR 86 N -5.48 1.74 -3.64 3.17 -2.24 -1.26 -4.59 114.28 101.97 1kpr n THR 86 Ca 0.21 0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 62.06 1kpr n THR 86 Cb 0.69 -1.41 -0.11 0.00 -2.10 0.00 0.00 70.33 67.40 1kpr n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kpr s LEU 87 N -3.10 4.43 0.24 3.22 1.43 0.63 -4.97 118.68 120.55 1kpr s LEU 87 Ca 0.01 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 1kpr s LEU 87 Cb 0.02 -2.00 0.30 0.00 0.03 0.00 0.00 46.19 44.54 1kpr s LEU 87 CO 0.07 -0.30 1.55 0.77 0.23 0.00 0.00 176.35 178.67 1kpr h SER 88 N 8.38 -1.30 -5.36 2.29 4.64 -1.83 -3.42 113.55 116.95 1kpr h SER 88 Ca -0.28 0.31 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 1kpr h SER 88 Cb 1.12 0.72 -0.15 0.00 -0.31 0.00 0.00 62.40 63.78 1kpr h SER 88 CO 0.64 -0.30 -0.58 0.00 -0.87 0.00 0.00 176.83 175.72 1kpr s GLN 89 N -6.03 0.92 0.57 4.77 -2.07 -1.26 -5.10 119.66 111.46 1kpr s GLN 89 Ca -0.14 -1.34 -0.19 0.00 -1.82 0.00 0.00 55.36 51.87 1kpr s GLN 89 Cb 0.22 0.27 -0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1kpr s GLN 89 CO 0.73 -0.27 0.99 -0.35 -1.32 0.00 0.00 175.29 175.07 1kpr n PRO 90 N -0.08 1.01 -4.08 9.60 -0.04 -1.26 -4.91 135.00 135.23 1kpr n PRO 90 Ca -0.07 0.38 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 1kpr n PRO 90 Cb 0.63 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.84 1kpr n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1kpr s LYS 91 N -2.64 3.53 -0.15 0.54 2.20 -0.71 -4.91 119.74 117.60 1kpr s LYS 91 Ca 0.73 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1kpr s LYS 91 Cb -0.44 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1kpr s LYS 91 CO 0.49 0.55 -0.13 0.42 -0.36 0.00 0.00 175.35 176.32 1kpr s ILE 92 N -0.41 1.51 -0.14 5.43 1.01 -1.26 -0.78 121.20 126.56 1kpr s ILE 92 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1kpr s ILE 92 Cb -0.12 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1kpr s ILE 92 CO 0.02 0.43 -0.20 0.68 0.00 0.00 0.00 174.94 175.87 1kpr s VAL 93 N 1.51 1.95 0.35 2.92 -7.23 -0.78 -4.94 120.40 114.18 1kpr s VAL 93 Ca 0.05 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 1kpr s VAL 93 Cb -0.13 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 1kpr s VAL 93 CO -0.10 0.53 1.07 -0.54 -0.31 0.00 0.00 175.10 175.74 1kpr s LYS 94 N 0.97 4.35 0.30 4.82 1.02 -1.26 -0.41 119.74 129.52 1kpr s LYS 94 Ca -0.04 1.63 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 1kpr s LYS 94 Cb -0.15 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1kpr s LYS 94 CO -0.05 -0.00 1.08 -0.46 -0.92 0.00 0.00 175.35 175.00 1kpr s TRP 95 N -1.45 3.54 -0.36 3.18 -0.00 0.78 -4.84 118.94 119.79 1kpr s TRP 95 Ca 0.52 1.70 0.00 0.00 -0.00 0.00 0.00 56.10 58.33 1kpr s TRP 95 Cb -0.26 -3.25 0.12 0.00 -0.00 0.00 0.00 33.47 30.08 1kpr s TRP 95 CO 0.33 -0.52 0.18 0.34 -0.00 0.00 0.00 176.95 177.28 1kpr s ASP 96 N -1.00 3.58 0.46 5.86 2.15 -1.26 -4.69 116.67 121.77 1kpr s ASP 96 Ca 0.46 -2.07 0.00 0.00 0.43 0.00 0.00 52.55 51.38 1kpr s ASP 96 Cb -0.30 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.58 1kpr s ASP 96 CO 0.39 -0.34 0.75 -2.11 -0.17 0.00 0.00 175.17 173.68 1kpr n ARG 97 N 4.25 0.02 -0.20 4.34 1.85 -1.26 0.74 116.66 126.41 1kpr n ARG 97 Ca 0.05 0.66 0.03 0.00 -1.00 0.00 0.00 57.85 57.58 1kpr n ARG 97 Cb 0.38 -1.99 0.11 0.00 -1.05 0.00 0.00 32.46 29.91 1kpr n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1kpr n ASP 98 N -1.93 1.86 0.00 2.89 8.00 -1.26 -4.69 116.55 121.42 1kpr n ASP 98 Ca 0.00 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1kpr n ASP 98 Cb 0.75 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1kpr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04