#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kob s ARG 2 N 0.00 1.90 -0.26 2.12 0.52 0.47 -1.30 118.95 122.39 3kob s ARG 2 Ca 0.00 -1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 53.68 3kob s ARG 2 Cb 0.00 -2.06 0.07 0.00 0.52 0.00 0.00 34.95 33.48 3kob s ARG 2 CO 0.00 0.42 0.66 0.54 0.02 0.00 0.00 175.30 176.94 3kob s VAL 3 N -1.72 -0.00 -0.14 3.52 0.11 -1.10 0.24 120.40 121.31 3kob s VAL 3 Ca 0.24 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.24 3kob s VAL 3 Cb -0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3kob s VAL 3 CO 0.14 0.00 0.06 -0.69 -3.33 0.00 0.00 175.10 171.28 3kob s VAL 4 N 1.28 4.76 -0.12 2.04 1.01 0.14 -2.79 120.40 126.72 3kob s VAL 4 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3kob s VAL 4 Cb -0.05 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3kob s VAL 4 CO -0.14 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.76 3kob s ILE 5 N -0.33 1.28 -0.05 2.22 1.01 -0.74 -1.44 121.20 123.15 3kob s ILE 5 Ca 0.09 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3kob s ILE 5 Cb -0.12 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 3kob s ILE 5 CO 0.02 0.41 -0.18 -1.10 0.00 0.00 0.00 174.94 174.09 3kob s GLN 6 N 1.40 1.95 0.34 2.79 -0.21 -0.40 -1.22 119.66 124.32 3kob s GLN 6 Ca 0.01 -0.63 -0.27 0.00 0.02 0.00 0.00 55.36 54.48 3kob s GLN 6 Cb -0.13 -1.65 -0.09 0.00 1.00 0.00 0.00 33.01 32.13 3kob s GLN 6 CO -0.06 0.22 1.10 0.50 -2.12 0.00 0.00 175.29 174.93 3kob s ARG 7 N 0.12 4.37 -0.19 2.91 3.52 -0.90 -1.28 118.95 127.51 3kob s ARG 7 Ca -0.06 1.74 -0.21 0.00 -0.13 0.00 0.00 55.73 57.06 3kob s ARG 7 Cb -0.13 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.43 3kob s ARG 7 CO 0.03 -0.01 0.58 0.14 -0.81 0.00 0.00 175.30 175.23 3kob s VAL 8 N -1.36 0.00 0.03 7.11 -7.23 0.19 -2.63 120.40 116.52 3kob s VAL 8 Ca 0.51 -0.03 0.33 0.00 -1.81 0.00 0.00 61.98 60.98 3kob s VAL 8 Cb -0.29 -0.83 0.38 0.00 0.56 0.00 0.00 36.38 36.20 3kob s VAL 8 CO 0.37 -0.02 1.95 0.11 -0.31 0.00 0.00 175.10 177.20 3kob h LYS 9 N 4.87 0.00 0.00 4.82 1.57 -1.20 -1.27 116.57 125.36 3kob h LYS 9 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kob h LYS 9 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kob h LYS 9 CO 0.18 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 3kob n GLY 10 N 0.07 -0.09 3.44 3.86 0.00 -1.13 -2.34 105.19 109.00 3kob n GLY 10 Ca 0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 3kob n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kob s ALA 11 N -2.00 -1.51 -0.07 4.61 0.00 0.00 -1.27 121.76 121.53 3kob s ALA 11 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3kob s ALA 11 Cb 0.00 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3kob s ALA 11 CO 0.00 -0.40 -0.09 0.42 0.00 0.00 0.00 175.76 175.69 3kob s ILE 12 N -1.58 0.95 -0.30 0.00 1.09 0.43 -2.24 121.20 119.56 3kob s ILE 12 Ca -0.10 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.12 3kob s ILE 12 Cb -0.01 -0.91 0.07 0.00 -1.06 0.00 0.00 42.46 40.55 3kob s ILE 12 CO 0.06 0.32 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.97 3kob s LEU 13 N 0.90 3.95 0.17 2.97 0.20 0.11 0.73 118.68 127.71 3kob s LEU 13 Ca -0.11 -1.56 0.06 0.00 0.69 0.00 0.00 54.13 53.22 3kob s LEU 13 Cb -0.15 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 3kob s LEU 13 CO 0.01 -0.27 0.06 -0.44 -0.29 0.00 0.00 176.35 175.42 3kob s SER 14 N 1.15 5.09 0.22 3.68 0.01 0.14 -0.32 113.70 123.67 3kob s SER 14 Ca -0.03 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.02 3kob s SER 14 Cb -0.20 -1.20 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 3kob s SER 14 CO -0.05 0.08 -0.12 0.68 0.41 0.00 0.00 173.24 174.24 3kob s VAL 15 N -1.75 1.68 -0.40 3.43 -7.23 -0.34 -0.53 120.40 115.25 3kob s VAL 15 Ca 0.29 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 3kob s VAL 15 Cb -0.10 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.73 3kob s VAL 15 CO 0.21 -0.53 1.22 0.00 -0.31 0.00 0.00 175.10 175.68 3kob s ARG 16 N -3.67 3.79 0.02 4.82 3.03 -1.25 -0.07 118.95 125.61 3kob s ARG 16 Ca 0.24 0.86 0.00 0.00 2.03 0.00 0.00 55.73 58.86 3kob s ARG 16 Cb 0.00 -3.90 -0.02 0.00 -1.03 0.00 0.00 34.95 30.01 3kob s ARG 16 CO 0.08 -1.29 -0.03 -0.51 -1.13 0.00 0.00 175.30 172.42 3kob s LEU 27 N 4.51 2.24 -0.11 -1.89 1.02 -1.26 -5.11 118.68 118.08 3kob s LEU 27 Ca 0.52 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 3kob s LEU 27 Cb -0.11 0.09 -0.03 0.00 0.02 0.00 0.00 46.19 46.17 3kob s LEU 27 CO 0.27 -0.30 -0.07 -0.70 0.02 0.00 0.00 176.35 175.58 3kob s GLU 28 N -1.49 3.22 0.80 1.70 -6.30 0.90 -5.07 118.70 112.46 3kob s GLU 28 Ca -0.16 -0.56 -0.12 0.00 -2.50 0.00 0.00 54.97 51.63 3kob s GLU 28 Cb -0.10 -2.72 0.08 0.00 0.00 0.00 0.00 34.13 31.39 3kob s GLU 28 CO -0.01 0.42 1.16 0.42 0.02 0.00 0.00 175.26 177.27 3kob s ILE 29 N -0.16 2.43 0.00 -3.70 1.01 -1.26 -1.20 121.20 118.32 3kob s ILE 29 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3kob s ILE 29 Cb -0.13 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.83 3kob s ILE 29 CO 0.03 -0.15 0.00 2.30 0.00 0.00 0.00 174.94 177.12 3kob n ILE 30 N -3.41 0.00 -3.69 2.92 -5.35 0.56 -4.76 119.36 105.62 3kob n ILE 30 Ca 0.12 -0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.49 3kob n ILE 30 Cb 0.51 0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 38.78 3kob n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3kob s SER 31 N -0.02 -0.56 0.11 7.28 0.01 -0.63 -4.97 113.70 114.92 3kob s SER 31 Ca 0.00 0.98 0.09 0.00 1.31 0.00 0.00 55.95 58.32 3kob s SER 31 Cb 0.00 0.89 -0.04 0.00 0.21 0.00 0.00 66.02 67.08 3kob s SER 31 CO 0.00 -0.19 -0.21 -1.61 0.41 0.00 0.00 173.24 171.63 3kob s GLU 32 N 1.13 1.18 0.00 12.44 2.02 -1.26 0.09 118.70 134.30 3kob s GLU 32 Ca -0.07 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 3kob s GLU 32 Cb -0.07 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.70 3kob s GLU 32 CO -0.10 0.34 0.01 0.96 0.02 0.00 0.00 175.26 176.48 3kob s ILE 33 N -1.24 0.04 0.00 -1.63 -4.36 -0.95 -4.96 121.20 108.10 3kob s ILE 33 Ca 0.08 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 3kob s ILE 33 Cb -0.10 -0.14 0.00 0.00 1.25 0.00 0.00 42.46 43.48 3kob s ILE 33 CO 0.05 -0.20 0.00 0.29 0.24 0.00 0.00 174.94 175.32 3kob n LYS 34 N 2.45 0.00 -0.85 0.37 4.76 -1.26 -0.82 118.16 122.81 3kob n LYS 34 Ca -0.17 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 3kob n LYS 34 Cb 0.58 0.00 0.22 0.00 -1.84 0.00 0.00 35.03 33.99 3kob n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kob s ASN 35 N -1.00 1.70 0.00 4.39 0.01 -0.99 -2.86 114.94 116.19 3kob s ASN 35 Ca 0.00 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 3kob s ASN 35 Cb 0.00 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.59 3kob s ASN 35 CO 0.00 -3.73 0.00 0.61 -1.51 0.00 0.00 177.10 172.47 3kob n GLY 36 N -0.12 0.37 3.21 0.66 0.00 -0.48 -2.88 105.19 105.94 3kob n GLY 36 Ca 0.04 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 3kob n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kob s LEU 37 N 0.00 2.36 -0.01 0.99 1.43 -0.70 -0.64 118.68 122.11 3kob s LEU 37 Ca 0.00 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 3kob s LEU 37 Cb 0.00 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 3kob s LEU 37 CO 0.00 -0.14 -0.23 -0.51 0.23 0.00 0.00 176.35 175.71 3kob s ILE 38 N -1.89 1.79 -0.20 -0.59 2.07 -0.40 -2.20 121.20 119.78 3kob s ILE 38 Ca 0.05 -0.98 -0.02 0.00 -1.41 0.00 0.00 60.65 58.28 3kob s ILE 38 Cb -0.06 -1.49 0.06 0.00 0.13 0.00 0.00 42.46 41.10 3kob s ILE 38 CO 0.02 0.49 0.02 0.00 -1.91 0.00 0.00 174.94 173.57 3kob s PHE 40 N 1.80 3.48 -0.12 0.00 0.08 -0.52 -1.23 117.98 121.47 3kob s PHE 40 Ca -0.01 1.26 0.01 0.00 0.12 0.00 0.00 56.93 58.30 3kob s PHE 40 Cb -0.17 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.35 3kob s PHE 40 CO -0.08 -0.13 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.61 3kob s LEU 41 N 1.67 1.65 -0.19 -0.37 2.96 -0.77 -0.68 118.68 122.95 3kob s LEU 41 Ca 0.38 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3kob s LEU 41 Cb -0.17 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3kob s LEU 41 CO 0.15 -0.02 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.32 3kob s GLY 42 N 1.22 1.70 -0.25 7.98 0.00 0.14 -1.05 107.32 117.06 3kob s GLY 42 Ca -0.02 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 3kob s GLY 42 CO -0.05 0.20 0.58 -0.42 0.00 0.00 0.00 173.10 173.41 3kob s ILE 43 N 0.94 5.03 0.20 0.90 1.01 -1.26 -0.40 121.20 127.61 3kob s ILE 43 Ca 0.01 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3kob s ILE 43 Cb -0.14 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 3kob s ILE 43 CO 0.02 0.07 1.03 -2.28 0.00 0.00 0.00 174.94 173.77 3kob s HIS 44 N 2.30 3.74 0.56 3.97 5.65 -1.26 -3.01 115.29 127.23 3kob s HIS 44 Ca 0.25 1.74 0.29 0.00 0.25 0.00 0.00 55.06 57.59 3kob s HIS 44 Cb -0.16 -3.15 0.99 0.00 -1.18 0.00 0.00 32.58 29.08 3kob s HIS 44 CO 0.09 -0.15 1.26 0.36 -0.65 0.00 0.00 174.74 175.66 3kob n LYS 45 N 2.03 0.01 -0.26 2.88 0.00 0.20 -0.67 118.16 122.35 3kob n LYS 45 Ca 0.01 0.97 0.08 0.00 -0.00 0.00 0.00 58.31 59.37 3kob n LYS 45 Cb 0.47 -2.39 0.22 0.00 -0.00 0.00 0.00 35.03 33.33 3kob n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kob n ASN 46 N -3.25 3.36 -4.69 -5.58 3.02 -1.26 -4.86 115.26 102.00 3kob n ASN 46 Ca 0.26 -2.06 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 3kob n ASN 46 Cb 1.53 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 40.34 3kob n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kob s ASP 47 N -1.03 6.74 0.77 6.41 1.01 0.16 -4.99 116.67 125.74 3kob s ASP 47 Ca 0.33 2.29 -0.12 0.00 0.71 0.00 0.00 52.55 55.76 3kob s ASP 47 Cb 0.18 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.60 3kob s ASP 47 CO 0.21 -0.79 1.15 0.42 0.21 0.00 0.00 175.17 176.37 3kob s THR 48 N 2.46 2.57 0.42 -1.27 -4.23 -1.26 -4.91 115.64 109.42 3kob s THR 48 Ca 0.68 0.18 0.11 0.00 -1.18 0.00 0.00 61.69 61.49 3kob s THR 48 Cb -0.35 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.62 3kob s THR 48 CO 0.29 -0.24 1.99 -0.25 -0.54 0.00 0.00 174.62 175.87 3kob h TRP 49 N -0.91 0.51 -0.84 3.99 2.91 -2.00 0.10 115.95 119.71 3kob h TRP 49 Ca -0.46 0.01 0.15 0.00 1.13 0.00 0.00 58.89 59.73 3kob h TRP 49 Cb 1.30 -0.17 -0.10 0.00 -0.51 0.00 0.00 29.16 29.69 3kob h TRP 49 CO 0.38 0.26 0.41 0.93 -1.03 0.00 0.00 178.44 179.40 3kob h GLU 50 N 0.50 0.57 -0.85 2.65 4.39 -2.00 -1.85 114.58 117.98 3kob h GLU 50 Ca 0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3kob h GLU 50 Cb 0.40 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3kob h GLU 50 CO -0.08 0.38 0.54 -0.44 -1.16 0.00 0.00 179.01 178.25 3kob h ASP 51 N 0.59 1.00 0.00 1.42 3.32 -1.14 -2.09 116.42 119.52 3kob h ASP 51 Ca 0.46 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3kob h ASP 51 Cb 0.67 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3kob h ASP 51 CO -0.38 0.74 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 3kob n ALA 52 N -2.41 -0.31 -0.25 3.45 0.00 -0.75 -3.34 120.51 116.90 3kob n ALA 52 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.68 3kob n ALA 52 Cb 0.04 0.04 0.28 0.00 0.00 0.00 0.00 19.45 19.81 3kob n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kob n LEU 53 N -1.61 0.01 -0.29 0.00 4.77 -0.85 0.12 117.00 119.15 3kob n LEU 53 Ca 0.00 1.25 -0.05 0.00 -0.03 0.00 0.00 56.01 57.18 3kob n LEU 53 Cb 0.00 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3kob n LEU 53 CO 0.00 -1.31 1.06 0.22 -1.33 0.00 0.00 177.39 176.03 3kob h TYR 54 N 0.00 1.22 0.31 -1.77 3.20 -1.45 0.48 116.97 118.96 3kob h TYR 54 Ca 0.50 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 3kob h TYR 54 Cb 1.14 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3kob h TYR 54 CO -0.27 0.91 -0.15 0.82 -1.64 0.00 0.00 178.16 177.83 3kob h ILE 55 N 1.17 0.00 -0.70 1.81 1.08 0.88 -1.38 117.51 120.38 3kob h ILE 55 Ca 0.27 -0.08 0.11 0.00 -0.39 0.00 0.00 64.86 64.77 3kob h ILE 55 Cb 0.20 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.83 3kob h ILE 55 CO -0.02 0.00 -0.41 0.40 -0.69 0.00 0.00 178.15 177.43 3kob h ILE 56 N -0.49 0.08 -0.40 -0.67 2.04 -1.21 0.23 117.51 117.09 3kob h ILE 56 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3kob h ILE 56 Cb 0.32 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.39 3kob h ILE 56 CO 0.07 0.00 -0.41 -0.09 0.00 0.00 0.00 178.15 177.72 3kob h ARG 57 N -0.15 -0.31 0.00 2.37 2.43 -0.09 -1.85 114.38 116.78 3kob h ARG 57 Ca 0.23 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3kob h ARG 57 Cb 0.56 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3kob h ARG 57 CO -0.77 -0.21 -0.14 0.87 -1.51 0.00 0.00 179.97 178.22 3kob h LYS 58 N -0.32 0.00 0.17 0.20 1.79 -0.01 -0.58 116.57 117.82 3kob h LYS 58 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3kob h LYS 58 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3kob h LYS 58 CO -0.57 0.14 -0.08 0.00 -1.08 0.00 0.00 179.45 177.87 3kob h LEU 60 N -0.87 0.45 0.00 0.00 3.38 -1.27 -3.33 115.31 113.67 3kob h LEU 60 Ca -0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kob h LEU 60 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kob h LEU 60 CO 0.04 0.55 -0.34 0.78 0.09 0.00 0.00 178.44 179.55 3kob h ASN 61 N 0.33 0.00 -2.43 -0.43 2.35 -1.20 -3.13 115.58 111.07 3kob h ASN 61 Ca 0.10 -0.11 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 3kob h ASN 61 Cb 0.26 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.66 3kob h ASN 61 CO -0.00 0.05 1.19 -0.76 -1.65 0.00 0.00 177.43 176.26 3kob s LEU 62 N -4.49 4.42 -0.71 1.61 1.43 -0.90 -4.69 118.68 115.34 3kob s LEU 62 Ca 0.08 2.72 -0.21 0.00 -1.03 0.00 0.00 54.13 55.69 3kob s LEU 62 Cb 0.12 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.89 3kob s LEU 62 CO 0.67 -1.04 0.95 -0.13 0.23 0.00 0.00 176.35 177.04 3kob s ARG 63 N 3.78 3.22 0.00 1.70 0.52 -1.26 -3.96 118.95 122.95 3kob s ARG 63 Ca 0.86 -1.16 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 3kob s ARG 63 Cb -0.44 -4.41 -0.03 0.00 0.52 0.00 0.00 34.95 30.59 3kob s ARG 63 CO 0.40 -1.75 0.40 1.28 0.02 0.00 0.00 175.30 175.65 3kob n LEU 64 N 7.15 0.68 -4.66 2.53 4.77 -0.55 -3.74 117.00 123.17 3kob n LEU 64 Ca 0.02 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 55.01 3kob n LEU 64 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3kob n LEU 64 CO 0.60 0.15 -0.25 0.26 -1.33 0.00 0.00 177.39 176.81 3kob s TRP 65 N -1.31 3.27 0.16 -1.77 0.51 -0.49 -4.69 118.94 114.63 3kob s TRP 65 Ca 0.04 0.12 -0.31 0.00 -2.12 0.00 0.00 56.10 53.83 3kob s TRP 65 Cb 0.05 -2.04 -0.11 0.00 -0.81 0.00 0.00 33.47 30.57 3kob s TRP 65 CO 0.21 0.23 1.68 -0.80 -0.51 0.00 0.00 176.95 177.77 3kob s ASN 66 N 0.13 6.49 -0.21 2.95 -0.87 -1.26 -1.46 114.94 120.70 3kob s ASN 66 Ca 0.05 2.71 -0.03 0.00 -1.57 0.00 0.00 52.86 54.03 3kob s ASN 66 Cb -0.12 -2.59 0.07 0.00 -0.02 0.00 0.00 41.25 38.59 3kob s ASN 66 CO 0.01 -0.92 0.04 0.21 -2.57 0.00 0.00 177.10 173.87 3kob s ASN 67 N 1.61 3.09 0.48 -1.22 3.84 0.01 -4.94 114.94 117.80 3kob s ASN 67 Ca 0.74 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.87 3kob s ASN 67 Cb -0.46 -0.63 0.00 0.00 -0.55 0.00 0.00 41.25 39.61 3kob s ASN 67 CO 0.33 -0.32 0.00 -0.67 -2.79 0.00 0.00 177.10 173.64 3kob n ASP 68 N 5.02 0.00 -0.42 -4.21 4.64 -1.26 -2.50 116.55 117.82 3kob n ASP 68 Ca -0.08 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.45 3kob n ASP 68 Cb 0.46 0.00 0.49 0.00 -1.04 0.00 0.00 41.12 41.03 3kob n ASP 68 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3kob n ASN 69 N 5.22 1.27 -4.82 1.67 3.02 -1.26 -4.87 115.26 115.49 3kob n ASN 69 Ca 0.00 -1.55 -0.37 0.00 -0.03 0.00 0.00 54.58 52.62 3kob n ASN 69 Cb 0.00 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 3kob n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kob s LYS 70 N -1.90 4.09 0.14 3.52 3.01 -1.04 -5.11 119.74 122.45 3kob s LYS 70 Ca 0.35 0.61 0.08 0.00 -1.01 0.00 0.00 55.97 56.00 3kob s LYS 70 Cb 0.18 -3.14 -0.04 0.00 -1.01 0.00 0.00 37.83 33.82 3kob s LYS 70 CO 0.29 0.60 -0.12 0.95 0.51 0.00 0.00 175.35 177.57 3kob s THR 71 N -1.22 3.13 -1.14 2.17 -4.23 -1.26 -0.81 115.64 112.28 3kob s THR 71 Ca 0.31 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 3kob s THR 71 Cb -0.18 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3kob s THR 71 CO 0.18 0.00 0.77 0.79 -0.54 0.00 0.00 174.62 175.82 3kob n TRP 72 N 0.41 -1.81 0.00 3.99 7.02 -1.26 -4.89 117.44 120.90 3kob n TRP 72 Ca -0.13 0.38 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 3kob n TRP 72 Cb 0.54 -3.28 0.00 0.00 -2.42 0.00 0.00 31.31 26.15 3kob n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kob n ASP 73 N -2.54 0.49 -4.63 -0.99 2.03 -1.13 -4.86 116.55 104.92 3kob n ASP 73 Ca -0.10 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.87 3kob n ASP 73 Cb 0.58 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.88 3kob n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kob s LYS 74 N -1.85 3.42 0.69 -0.67 -0.14 -0.53 -4.79 119.74 115.87 3kob s LYS 74 Ca 0.00 -0.42 -0.03 0.00 -1.36 0.00 0.00 55.97 54.16 3kob s LYS 74 Cb 0.00 -2.93 0.09 0.00 -1.68 0.00 0.00 37.83 33.31 3kob s LYS 74 CO 0.00 0.48 0.97 0.54 -0.76 0.00 0.00 175.35 176.58 3kob s ASN 75 N -0.26 4.60 0.38 2.83 2.20 -1.26 -1.39 114.94 122.04 3kob s ASN 75 Ca 0.06 0.01 0.07 0.00 -0.94 0.00 0.00 52.86 52.06 3kob s ASN 75 Cb -0.12 -0.56 0.75 0.00 -2.00 0.00 0.00 41.25 39.31 3kob s ASN 75 CO 0.02 -1.68 1.96 1.62 -2.94 0.00 0.00 177.10 176.08 3kob h VAL 76 N -0.49 1.15 -0.04 3.54 3.04 -1.67 -2.82 116.25 118.96 3kob h VAL 76 Ca -0.41 -0.53 -0.25 0.00 -1.01 0.00 0.00 66.70 64.49 3kob h VAL 76 Cb 1.29 0.82 0.02 0.00 -2.01 0.00 0.00 31.29 31.41 3kob h VAL 76 CO 0.49 0.19 -0.97 0.11 -1.01 0.00 0.00 177.57 176.38 3kob h LYS 77 N 0.46 0.71 -0.04 4.17 1.57 -1.87 -2.14 116.57 119.44 3kob h LYS 77 Ca 0.11 -0.72 0.01 0.00 -1.87 0.00 0.00 60.65 58.18 3kob h LYS 77 Cb 0.18 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3kob h LYS 77 CO -0.00 1.30 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.63 3kob h ASP 78 N 0.43 -0.35 0.12 0.86 3.32 -1.84 -2.28 116.42 116.67 3kob h ASP 78 Ca -0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kob h ASP 78 Cb 1.62 0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.31 3kob h ASP 78 CO 0.19 -0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.80 3kob n LEU 79 N -3.16 0.00 -2.68 1.55 4.77 -1.13 -4.86 117.00 111.49 3kob n LEU 79 Ca -0.01 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 3kob n LEU 79 Cb 0.07 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3kob n LEU 79 CO 0.01 -0.04 0.10 -3.20 -1.33 0.00 0.00 177.39 172.93 3kob n ASN 80 N -1.10 -5.55 -4.60 -1.43 2.85 -0.86 -5.05 115.26 99.52 3kob n ASN 80 Ca 0.12 -0.34 -0.27 0.00 -0.11 0.00 0.00 54.58 53.97 3kob n ASN 80 Cb 0.09 -3.89 -0.11 0.00 1.24 0.00 0.00 39.78 37.11 3kob n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3kob s TYR 81 N -3.18 2.46 0.41 1.20 2.02 -0.82 -5.06 117.35 114.38 3kob s TYR 81 Ca 0.21 -0.69 0.07 0.00 -0.37 0.00 0.00 57.07 56.29 3kob s TYR 81 Cb -0.03 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3kob s TYR 81 CO 0.52 0.41 0.56 -1.21 -1.57 0.00 0.00 175.55 174.27 3kob s GLU 82 N -3.72 2.87 -0.05 -0.62 2.02 -1.14 -4.80 118.70 113.26 3kob s GLU 82 Ca 0.35 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.18 3kob s GLU 82 Cb 0.10 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.59 3kob s GLU 82 CO 0.18 -0.23 -0.07 -0.51 0.02 0.00 0.00 175.26 174.64 3kob s LEU 83 N -4.34 1.49 -0.19 1.80 1.02 -0.76 -1.73 118.68 115.98 3kob s LEU 83 Ca 0.53 -0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.48 3kob s LEU 83 Cb -0.10 -0.56 -0.00 0.00 0.02 0.00 0.00 46.19 45.55 3kob s LEU 83 CO 0.33 -0.01 -0.10 -0.22 0.02 0.00 0.00 176.35 176.37 3kob s LEU 84 N 0.72 2.68 -0.33 1.79 2.96 -0.93 -0.70 118.68 124.86 3kob s LEU 84 Ca -0.11 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3kob s LEU 84 Cb -0.14 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 44.96 3kob s LEU 84 CO 0.01 0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.52 3kob s ILE 85 N 1.13 3.25 -0.27 6.68 -1.09 0.60 -1.79 121.20 129.71 3kob s ILE 85 Ca 0.01 -1.46 -0.03 0.00 -2.23 0.00 0.00 60.65 56.94 3kob s ILE 85 Cb -0.14 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 3kob s ILE 85 CO -0.03 -0.25 -0.00 -0.69 -1.23 0.00 0.00 174.94 172.74 3kob s VAL 86 N 1.27 3.23 0.16 2.92 1.01 -0.37 -3.71 120.40 124.91 3kob s VAL 86 Ca -0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 3kob s VAL 86 Cb -0.20 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 3kob s VAL 86 CO -0.01 0.09 1.25 -0.55 0.00 0.00 0.00 175.10 175.88 3kob s SER 87 N 1.36 7.01 -0.36 3.32 0.15 -1.26 -1.84 113.70 122.07 3kob s SER 87 Ca -0.00 2.26 0.02 0.00 0.70 0.00 0.00 55.95 58.93 3kob s SER 87 Cb -0.17 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.68 3kob s SER 87 CO -0.02 -0.46 0.34 -1.58 1.20 0.00 0.00 173.24 172.72 3kob s GLN 88 N 0.10 0.60 0.40 5.44 2.00 -0.21 -4.82 119.66 123.17 3kob s GLN 88 Ca 0.56 -0.92 0.18 0.00 -2.00 0.00 0.00 55.36 53.17 3kob s GLN 88 Cb -0.34 -0.85 0.86 0.00 0.80 0.00 0.00 33.01 33.49 3kob s GLN 88 CO 0.35 -1.19 1.85 0.27 -0.50 0.00 0.00 175.29 176.07 3kob h PHE 89 N 7.12 0.00 0.00 1.67 -5.15 -1.94 -3.17 116.94 115.47 3kob h PHE 89 Ca 0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 3kob h PHE 89 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 3kob h PHE 89 CO 0.34 0.32 0.02 0.25 -2.00 0.00 0.00 178.31 177.24 3kob n THR 90 N -3.83 1.79 0.19 0.88 -2.24 -1.26 0.32 114.28 110.13 3kob n THR 90 Ca -0.01 0.54 0.05 0.00 -2.27 0.00 0.00 64.05 62.35 3kob n THR 90 Cb 0.40 -1.54 0.50 0.00 -2.10 0.00 0.00 70.33 67.60 3kob n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kob h LEU 91 N 0.00 0.10 -3.43 3.22 3.38 -1.96 0.16 115.31 116.78 3kob h LEU 91 Ca 0.00 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 3kob h LEU 91 Cb 0.03 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 40.54 3kob h LEU 91 CO 0.00 0.20 0.48 0.49 0.09 0.00 0.00 178.44 179.70 3kob n PHE 92 N -4.38 2.17 -2.43 1.13 3.72 0.15 -4.82 117.46 112.99 3kob n PHE 92 Ca -0.02 -1.54 -0.42 0.00 -0.05 0.00 0.00 57.45 55.43 3kob n PHE 92 Cb 0.19 -0.78 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 3kob n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kob s GLY 93 N -0.62 0.93 -0.26 1.37 0.00 0.04 -3.84 107.32 104.95 3kob s GLY 93 Ca 0.40 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 3kob s GLY 93 CO 0.07 2.74 0.97 0.21 0.00 0.00 0.00 173.10 177.09 3kob s ASN 94 N 4.14 6.96 0.00 1.64 3.84 -0.33 -4.68 114.94 126.51 3kob s ASN 94 Ca 0.50 1.17 0.00 0.00 0.21 0.00 0.00 52.86 54.74 3kob s ASN 94 Cb -0.10 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 3kob s ASN 94 CO 0.24 -0.67 0.31 0.35 -2.79 0.00 0.00 177.10 174.55 3kob n THR 95 N 5.42 0.00 -0.26 -5.21 -2.24 -1.26 -0.04 114.28 110.69 3kob n THR 95 Ca 0.10 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3kob n THR 95 Cb 0.47 1.08 0.20 0.00 -2.10 0.00 0.00 70.33 69.99 3kob n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kob h LYS 96 N 0.00 0.40 -3.76 -0.78 6.56 -1.97 -3.38 116.57 113.64 3kob h LYS 96 Ca 0.00 -0.02 -0.49 0.00 -1.06 0.00 0.00 60.65 59.07 3kob h LYS 96 Cb 0.04 -0.09 -0.39 0.00 -0.57 0.00 0.00 32.23 31.23 3kob h LYS 96 CO 0.00 0.27 -0.77 -1.59 -2.06 0.00 0.00 179.45 175.29 3kob s LYS 97 N -6.00 0.83 0.00 3.15 0.00 -1.26 -5.07 119.74 111.39 3kob s LYS 97 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 55.97 55.61 3kob s LYS 97 Cb 0.21 -1.64 0.00 0.00 0.00 0.00 0.00 37.83 36.40 3kob s LYS 97 CO 0.76 -0.45 0.00 0.41 0.00 0.00 0.00 175.35 176.07 3kob n GLY 98 N 5.05 2.32 0.02 0.59 0.00 -1.26 -4.91 105.19 107.00 3kob n GLY 98 Ca -0.09 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.00 3kob n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kob n ASN 99 N 0.00 0.42 -4.56 1.61 5.03 -1.26 -4.83 115.26 111.68 3kob n ASN 99 Ca 0.00 -0.71 -0.42 0.00 0.87 0.00 0.00 54.58 54.31 3kob n ASN 99 Cb 0.00 0.93 -0.06 0.00 -1.02 0.00 0.00 39.78 39.63 3kob n ASN 99 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3kob s LYS 100 N -1.59 3.54 0.53 3.52 2.20 -1.26 -5.05 119.74 121.63 3kob s LYS 100 Ca 0.03 -0.00 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 3kob s LYS 100 Cb 0.05 -3.87 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 3kob s LYS 100 CO 0.28 -0.93 1.38 -2.14 -0.36 0.00 0.00 175.35 173.58 3kob s PRO 101 N 3.01 3.25 -0.30 4.03 0.02 -1.26 -4.91 135.00 138.84 3kob s PRO 101 Ca 0.28 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3kob s PRO 101 Cb -0.13 -2.35 0.08 0.00 0.02 0.00 0.00 34.50 32.12 3kob s PRO 101 CO 0.19 -1.12 -0.01 0.34 -0.33 0.00 0.00 177.00 176.06 3kob s ASP 102 N -0.83 4.56 -0.59 2.53 2.15 0.94 -4.80 116.67 120.63 3kob s ASP 102 Ca 0.69 -1.79 -0.02 0.00 0.43 0.00 0.00 52.55 51.86 3kob s ASP 102 Cb -0.42 -1.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.99 3kob s ASP 102 CO 0.50 -0.30 2.13 0.49 -0.17 0.00 0.00 175.17 177.82 3kob n PHE 103 N 4.37 2.55 0.13 -5.34 3.72 -1.25 -1.18 117.46 120.46 3kob n PHE 103 Ca -0.04 -2.49 0.06 0.00 -0.05 0.00 0.00 57.45 54.93 3kob n PHE 103 Cb 0.42 -1.27 0.04 0.00 -0.94 0.00 0.00 39.48 37.72 3kob n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kob h HIS 104 N 2.19 0.00 0.00 1.38 3.86 -1.96 -3.05 115.15 117.57 3kob h HIS 104 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 3kob h HIS 104 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3kob h HIS 104 CO 1.24 0.28 0.00 1.28 0.86 0.00 0.00 177.93 181.59 3kob n LEU 105 N -3.01 0.00 -4.81 2.43 4.32 -1.26 -4.90 117.00 109.77 3kob n LEU 105 Ca -0.00 0.39 -0.34 0.00 -0.02 0.00 0.00 56.01 56.04 3kob n LEU 105 Cb 0.66 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 42.02 3kob n LEU 105 CO 0.39 -0.03 0.69 0.00 -1.22 0.00 0.00 177.39 177.22 3kob s ALA 106 N -2.78 2.96 0.14 -1.18 0.00 -1.16 -0.63 121.76 119.11 3kob s ALA 106 Ca 0.20 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 3kob s ALA 106 Cb 0.18 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 3kob s ALA 106 CO 0.46 -0.11 0.74 0.21 0.00 0.00 0.00 175.76 177.06 3kob s LYS 107 N -3.16 4.50 0.17 0.00 2.20 -1.17 -4.36 119.74 117.92 3kob s LYS 107 Ca 0.64 1.07 -0.33 0.00 -0.36 0.00 0.00 55.97 57.00 3kob s LYS 107 Cb -0.13 -3.26 -0.15 0.00 -1.51 0.00 0.00 37.83 32.77 3kob s LYS 107 CO 0.17 0.58 1.26 -1.91 -0.36 0.00 0.00 175.35 175.09 3kob n GLU 108 N 1.65 1.40 0.30 4.03 0.00 -1.26 -4.65 120.64 122.11 3kob n GLU 108 Ca -0.07 0.50 0.16 0.00 0.00 0.00 0.00 57.16 57.75 3kob n GLU 108 Cb 0.49 -2.07 0.84 0.00 0.00 0.00 0.00 31.44 30.71 3kob n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3kob h PRO 109 N 3.86 0.00 0.01 5.31 0.11 -1.97 0.12 132.00 139.45 3kob h PRO 109 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3kob h PRO 109 Cb 1.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.44 3kob h PRO 109 CO 0.73 0.00 -0.27 -0.91 -0.21 0.00 0.00 178.00 177.34 3kob h ASN 110 N 0.00 0.22 -0.16 -2.05 2.35 -2.00 -2.46 115.58 111.47 3kob h ASN 110 Ca 0.00 -0.82 -0.20 0.00 -0.55 0.00 0.00 56.30 54.73 3kob h ASN 110 Cb 0.43 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3kob h ASN 110 CO 0.00 1.02 -0.66 -0.33 -1.65 0.00 0.00 177.43 175.81 3kob h GLU 111 N -0.56 0.78 -0.69 0.81 5.08 -1.88 -3.21 114.58 114.92 3kob h GLU 111 Ca -0.04 -0.56 0.14 0.00 -1.00 0.00 0.00 59.36 57.90 3kob h GLU 111 Cb 1.07 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 3kob h GLU 111 CO 0.05 1.18 0.17 0.00 -1.00 0.00 0.00 179.01 179.42 3kob h ALA 112 N 0.68 0.87 -0.53 3.43 0.00 -0.87 -1.26 119.26 121.58 3kob h ALA 112 Ca -0.02 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3kob h ALA 112 Cb 1.26 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 3kob h ALA 112 CO 0.14 -0.31 0.09 1.25 0.00 0.00 0.00 179.25 180.42 3kob h LEU 113 N 0.29 -0.04 0.02 0.00 5.85 -1.44 0.17 115.31 120.17 3kob h LEU 113 Ca 0.38 0.10 -0.24 0.00 0.84 0.00 0.00 57.88 58.96 3kob h LEU 113 Cb 0.61 0.15 0.02 0.00 0.37 0.00 0.00 40.66 41.80 3kob h LEU 113 CO -0.46 0.00 -0.95 -0.29 -0.34 0.00 0.00 178.44 176.41 3kob h ILE 114 N 0.22 1.32 -0.24 4.05 6.09 -1.48 0.21 117.51 127.69 3kob h ILE 114 Ca 0.27 -2.24 0.07 0.00 -1.37 0.00 0.00 64.86 61.59 3kob h ILE 114 Cb 0.39 2.50 -0.01 0.00 0.47 0.00 0.00 36.82 40.17 3kob h ILE 114 CO -0.37 0.68 0.18 0.15 -3.07 0.00 0.00 178.15 175.72 3kob h PHE 115 N 0.23 0.00 0.03 2.19 3.57 -1.04 0.99 116.94 122.91 3kob h PHE 115 Ca -0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3kob h PHE 115 Cb 1.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.37 3kob h PHE 115 CO 0.12 0.00 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.27 3kob h TYR 116 N 0.00 -0.03 -0.27 0.41 3.20 -0.48 -2.51 116.97 117.28 3kob h TYR 116 Ca 0.11 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3kob h TYR 116 Cb 0.48 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3kob h TYR 116 CO 0.00 0.67 -0.26 -0.91 -1.64 0.00 0.00 178.16 176.02 3kob h ASN 117 N -0.88 -0.90 -1.09 -2.11 4.21 0.41 -0.35 115.58 114.87 3kob h ASN 117 Ca -0.00 0.12 0.34 0.00 1.21 0.00 0.00 56.30 57.97 3kob h ASN 117 Cb 0.72 0.38 -0.13 0.00 -1.12 0.00 0.00 38.32 38.17 3kob h ASN 117 CO 0.01 -0.16 0.66 0.11 -1.29 0.00 0.00 177.43 176.76 3kob h LYS 118 N -0.13 0.28 -0.44 0.81 1.57 0.90 0.45 116.57 120.01 3kob h LYS 118 Ca 0.04 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3kob h LYS 118 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3kob h LYS 118 CO -0.32 0.18 -0.11 0.82 -0.57 0.00 0.00 179.45 179.45 3kob h ILE 119 N 0.29 1.27 -0.71 1.86 2.04 -0.66 -2.27 117.51 119.33 3kob h ILE 119 Ca 0.72 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3kob h ILE 119 Cb 1.85 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 3kob h ILE 119 CO -0.49 0.42 0.36 0.40 0.00 0.00 0.00 178.15 178.84 3kob h ILE 120 N 0.68 1.23 0.06 -0.67 1.08 0.13 -1.29 117.51 118.73 3kob h ILE 120 Ca 0.11 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.97 3kob h ILE 120 Cb 0.66 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 3kob h ILE 120 CO 0.04 0.26 -0.32 0.44 -0.69 0.00 0.00 178.15 177.89 3kob h ASP 121 N 0.99 -0.96 -0.97 1.72 3.32 -1.12 -1.59 116.42 117.81 3kob h ASP 121 Ca 0.25 0.10 0.22 0.00 0.02 0.00 0.00 57.03 57.62 3kob h ASP 121 Cb 0.09 0.36 -0.12 0.00 0.22 0.00 0.00 39.33 39.88 3kob h ASP 121 CO -0.03 -0.33 0.55 -0.08 -1.72 0.00 0.00 179.24 177.62 3kob h GLU 122 N -0.44 0.59 0.51 3.56 4.57 -1.23 1.22 114.58 123.36 3kob h GLU 122 Ca -0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3kob h GLU 122 Cb 0.45 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kob h GLU 122 CO -0.18 0.39 -0.34 0.74 -1.18 0.00 0.00 179.01 178.44 3kob h PHE 123 N 0.60 -0.90 0.45 0.92 0.04 -0.97 0.63 116.94 117.71 3kob h PHE 123 Ca 0.60 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.35 3kob h PHE 123 Cb 1.05 0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 3kob h PHE 123 CO -0.04 -0.51 -0.48 0.87 -0.60 0.00 0.00 178.31 177.55 3kob h LYS 124 N -0.82 -0.90 -0.48 1.51 1.57 -0.14 0.25 116.57 117.55 3kob h LYS 124 Ca -0.06 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3kob h LYS 124 Cb 0.68 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3kob h LYS 124 CO 0.04 -0.60 0.93 -0.22 -0.57 0.00 0.00 179.45 179.03 3kob h LYS 125 N -0.93 0.00 0.00 3.15 1.63 0.16 -1.00 116.57 119.57 3kob h LYS 125 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3kob h LYS 125 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3kob h LYS 125 CO -0.08 0.00 -1.34 1.04 -3.45 0.00 0.00 179.45 175.62 3kob n GLN 126 N -3.03 0.43 0.00 1.90 6.02 0.20 -4.92 117.38 117.99 3kob n GLN 126 Ca 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kob n GLN 126 Cb 1.08 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 31.16 3kob n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kob n TYR 127 N -1.77 0.00 -3.64 1.08 9.36 0.76 -5.07 117.16 117.89 3kob n TYR 127 Ca -0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.16 3kob n TYR 127 Cb 0.22 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.86 3kob n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kob s ASN 128 N 0.53 -0.33 0.25 2.98 3.84 -0.99 -5.02 114.94 116.20 3kob s ASN 128 Ca 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 52.86 53.63 3kob s ASN 128 Cb 0.00 0.77 0.50 0.00 -0.55 0.00 0.00 41.25 41.97 3kob s ASN 128 CO 0.00 -0.10 1.69 -0.78 -2.79 0.00 0.00 177.10 175.12 3kob h ASP 129 N 4.44 0.08 1.54 -4.21 3.58 -1.92 0.11 116.42 120.04 3kob h ASP 129 Ca -0.28 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.32 3kob h ASP 129 Cb 1.18 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.41 3kob h ASP 129 CO 0.16 -0.02 0.00 -0.78 -2.88 0.00 0.00 179.24 175.72 3kob h ASP 130 N 0.31 0.00 1.67 2.28 3.58 -1.96 -3.27 116.42 119.03 3kob h ASP 130 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 3kob h ASP 130 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 3kob h ASP 130 CO -0.50 0.00 -0.31 0.11 -2.88 0.00 0.00 179.24 175.66 3kob h LYS 131 N 0.00 0.00 -5.22 0.28 1.79 -1.34 -3.44 116.57 108.64 3kob h LYS 131 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 3kob h LYS 131 Cb 0.77 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.28 3kob h LYS 131 CO 0.00 0.00 -0.24 0.42 -1.08 0.00 0.00 179.45 178.55 3kob s ILE 132 N -3.25 5.19 0.14 1.86 -1.09 -1.18 -1.82 121.20 121.04 3kob s ILE 132 Ca 0.05 0.59 0.10 0.00 -2.23 0.00 0.00 60.65 59.16 3kob s ILE 132 Cb 0.07 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3kob s ILE 132 CO 0.71 0.19 -0.24 -0.54 -1.23 0.00 0.00 174.94 173.83 3kob s LYS 133 N 1.81 1.54 0.23 2.79 3.01 0.12 -5.00 119.74 124.24 3kob s LYS 133 Ca 0.16 -1.34 0.00 0.00 -1.01 0.00 0.00 55.97 53.78 3kob s LYS 133 Cb -0.15 -1.95 -0.04 0.00 -1.01 0.00 0.00 37.83 34.67 3kob s LYS 133 CO 0.09 0.45 0.12 0.96 0.51 0.00 0.00 175.35 177.48 3kob s ILE 134 N -1.22 0.27 0.20 2.17 -4.36 -1.26 -0.29 121.20 116.70 3kob s ILE 134 Ca 0.17 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 3kob s ILE 134 Cb -0.10 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.09 3kob s ILE 134 CO 0.08 0.00 0.27 0.61 0.24 0.00 0.00 174.94 176.14 3kob n GLY 135 N -0.38 1.52 3.46 6.27 0.00 -1.24 -4.70 105.19 110.12 3kob n GLY 135 Ca 0.01 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 3kob n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kob s LYS 136 N -2.97 3.01 0.20 1.61 2.20 -1.26 -5.02 119.74 117.51 3kob s LYS 136 Ca 0.20 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 3kob s LYS 136 Cb -0.01 -3.99 -0.16 0.00 -1.51 0.00 0.00 37.83 32.16 3kob s LYS 136 CO 0.13 -0.80 0.85 0.34 -0.36 0.00 0.00 175.35 175.50 3kob n PHE 137 N 5.31 0.50 -2.18 4.03 7.35 -1.26 -2.10 117.46 129.10 3kob n PHE 137 Ca -0.10 0.84 -0.11 0.00 -0.76 0.00 0.00 57.45 57.33 3kob n PHE 137 Cb 0.47 -2.12 -0.01 0.00 0.35 0.00 0.00 39.48 38.16 3kob n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kob n GLY 138 N 1.74 -0.15 3.50 7.13 0.00 -1.26 -4.95 105.19 111.21 3kob n GLY 138 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3kob n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kob s ASN 139 N -1.99 4.12 -0.25 1.61 0.02 -0.89 -5.06 114.94 112.49 3kob s ASN 139 Ca 0.00 -0.26 -0.37 0.00 -1.02 0.00 0.00 52.86 51.21 3kob s ASN 139 Cb 0.00 -0.83 -0.13 0.00 0.02 0.00 0.00 41.25 40.31 3kob s ASN 139 CO 0.00 0.30 1.93 0.00 0.02 0.00 0.00 177.10 179.35 3kob n TYR 140 N 1.85 1.99 -4.42 2.20 9.36 -1.26 -4.89 117.16 121.98 3kob n TYR 140 Ca -0.16 0.30 -0.27 0.00 3.32 0.00 0.00 57.90 61.09 3kob n TYR 140 Cb 0.52 -2.54 -0.12 0.00 -0.63 0.00 0.00 39.34 36.57 3kob n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3kob s MET 141 N 4.59 1.51 -0.11 2.98 -1.94 -1.26 -3.97 119.30 121.11 3kob s MET 141 Ca 1.01 -1.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 3kob s MET 141 Cb -0.90 -1.86 0.01 0.00 2.01 0.00 0.00 34.83 34.10 3kob s MET 141 CO 0.57 0.41 -0.15 1.21 -0.01 0.00 0.00 175.02 177.04 3kob s ASN 142 N -2.61 2.43 -0.21 3.03 2.47 0.31 -5.00 114.94 115.35 3kob s ASN 142 Ca 0.20 -0.42 0.01 0.00 0.42 0.00 0.00 52.86 53.06 3kob s ASN 142 Cb -0.08 -1.08 0.05 0.00 -1.45 0.00 0.00 41.25 38.69 3kob s ASN 142 CO 0.09 0.01 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.78 3kob s ILE 143 N 0.99 1.57 -0.15 -5.21 1.01 -1.25 0.28 121.20 118.44 3kob s ILE 143 Ca -0.06 -1.10 -0.26 0.00 0.00 0.00 0.00 60.65 59.23 3kob s ILE 143 Cb -0.15 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3kob s ILE 143 CO -0.02 0.04 0.84 -1.81 0.00 0.00 0.00 174.94 174.00 3kob s ASP 144 N 1.40 6.99 -0.10 3.58 1.01 0.22 -4.85 116.67 124.92 3kob s ASP 144 Ca -0.03 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.45 3kob s ASP 144 Cb -0.17 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3kob s ASP 144 CO -0.07 -0.38 -0.10 -0.69 0.21 0.00 0.00 175.17 174.13 3kob s VAL 145 N 2.02 1.16 -1.12 -1.27 1.01 -1.26 0.16 120.40 121.10 3kob s VAL 145 Ca 0.39 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3kob s VAL 145 Cb -0.17 -1.12 0.22 0.00 0.00 0.00 0.00 36.38 35.31 3kob s VAL 145 CO 0.14 0.38 1.23 -0.89 0.00 0.00 0.00 175.10 175.95 3kob s THR 146 N 1.31 5.48 -0.45 3.92 2.01 -0.39 -5.00 115.64 122.52 3kob s THR 146 Ca -0.02 -2.90 -0.29 0.00 0.31 0.00 0.00 61.69 58.80 3kob s THR 146 Cb -0.14 -4.74 -0.09 0.00 0.01 0.00 0.00 72.50 67.55 3kob s THR 146 CO -0.04 -1.38 2.36 0.59 -0.69 0.00 0.00 174.62 175.46 3kob n ASN 147 N 4.30 2.31 -4.55 3.53 3.02 -1.26 -0.76 115.26 121.85 3kob n ASN 147 Ca 0.29 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3kob n ASN 147 Cb 0.42 -1.46 -0.07 0.00 -0.61 0.00 0.00 39.78 38.06 3kob n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kob s ASP 148 N 10.17 6.38 0.00 6.41 2.15 -1.08 -4.60 116.67 136.10 3kob s ASP 148 Ca 1.05 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.98 3kob s ASP 148 Cb -0.44 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3kob s ASP 148 CO 0.34 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3kob n GLY 149 N 4.82 2.02 3.96 2.66 0.00 -1.26 -3.78 105.19 113.62 3kob n GLY 149 Ca -0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3kob n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kob s PRO 150 N 0.00 2.06 -0.09 1.61 0.04 -1.26 -5.18 135.00 132.17 3kob s PRO 150 Ca 0.00 -0.63 -0.04 0.00 0.04 0.00 0.00 61.00 60.38 3kob s PRO 150 Cb 0.00 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.31 3kob s PRO 150 CO 0.00 -1.22 0.18 0.08 0.04 0.00 0.00 177.00 176.08 3kob s VAL 151 N -3.13 -0.24 -0.03 -0.36 1.01 -1.25 -5.01 120.40 111.40 3kob s VAL 151 Ca 0.62 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.91 3kob s VAL 151 Cb -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3kob s VAL 151 CO 0.43 0.12 -0.07 -0.89 0.00 0.00 0.00 175.10 174.69 3kob s THR 152 N 2.05 0.67 -0.02 3.92 2.01 -1.25 -2.13 115.64 120.89 3kob s THR 152 Ca -0.00 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3kob s THR 152 Cb -0.12 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.80 3kob s THR 152 CO -0.07 0.22 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.46 3kob s ILE 153 N 0.32 0.15 0.04 1.82 -1.09 -0.35 -4.95 121.20 117.13 3kob s ILE 153 Ca -0.05 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 3kob s ILE 153 Cb -0.09 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.52 3kob s ILE 153 CO 0.00 0.12 0.06 -0.47 -1.23 0.00 0.00 174.94 173.42 3kob s TYR 154 N 0.83 3.19 -0.14 3.97 5.04 -1.26 -1.79 117.35 127.18 3kob s TYR 154 Ca -0.08 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.62 3kob s TYR 154 Cb -0.11 -1.66 0.07 0.00 0.35 0.00 0.00 41.96 40.60 3kob s TYR 154 CO -0.02 0.52 0.20 0.42 -1.34 0.00 0.00 175.55 175.33 3kob s ILE 155 N -1.27 -0.31 -0.34 3.14 1.01 -1.12 -5.01 121.20 117.31 3kob s ILE 155 Ca 0.25 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 3kob s ILE 155 Cb -0.12 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 3kob s ILE 155 CO 0.17 -0.02 0.24 -0.62 0.00 0.00 0.00 174.94 174.71 3kob s ASP 156 N 2.32 6.05 0.00 3.58 -1.08 -1.26 -2.73 116.67 123.56 3kob s ASP 156 Ca 0.04 -0.41 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 3kob s ASP 156 Cb -0.14 -2.13 0.22 0.00 -1.46 0.00 0.00 42.92 39.41 3kob s ASP 156 CO -0.09 -0.23 0.62 0.35 0.52 0.00 0.00 175.17 176.34 3kob n THR 157 N 5.10 0.00 1.02 1.71 -2.24 -0.42 -2.23 114.28 117.22 3kob n THR 157 Ca -0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 3kob n THR 157 Cb 0.50 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3kob n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kob n HIS 158 N -0.66 0.00 1.07 4.78 8.25 -1.26 -3.70 115.22 123.70 3kob n HIS 158 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3kob n HIS 158 Cb 0.01 -0.02 0.30 0.00 1.12 0.00 0.00 29.99 31.41 3kob n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kob n ASP 159 N -0.68 0.61 -4.82 0.41 9.92 -0.95 -4.87 116.55 116.17 3kob n ASP 159 Ca 0.07 -0.39 -0.33 0.00 -0.53 0.00 0.00 54.79 53.61 3kob n ASP 159 Cb 0.40 0.19 -0.07 0.00 -0.64 0.00 0.00 41.12 41.01 3kob n ASP 159 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kob s ILE 160 N -2.87 4.46 -2.84 0.53 -1.09 -1.24 -5.15 121.20 113.00 3kob s ILE 160 Ca 0.15 1.36 0.25 0.00 -2.23 0.00 0.00 60.65 60.18 3kob s ILE 160 Cb 0.18 -3.65 0.30 0.00 -1.58 0.00 0.00 42.46 37.72 3kob s ILE 160 CO 0.65 -0.22 1.41 0.59 -1.23 0.00 0.00 174.94 176.14