#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 0.57 -0.01 2.12 0.52 0.59 -0.23 118.95 122.51 3kob s ARG 2 Ca 0.00 -0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 3kob s ARG 2 Cb 0.00 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.82 3kob s ARG 2 CO 0.00 -0.10 -0.01 0.54 0.02 0.00 0.00 175.30 175.75 3kob s VAL 3 N 0.93 0.15 -0.14 3.52 0.11 -0.59 0.83 120.40 125.21 3kob s VAL 3 Ca -0.11 -0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3kob s VAL 3 Cb -0.14 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3kob s VAL 3 CO -0.01 0.07 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.00 3kob s VAL 4 N 0.22 2.89 -0.23 2.04 1.01 -0.48 -2.04 120.40 123.81 3kob s VAL 4 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3kob s VAL 4 Cb -0.04 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.17 3kob s VAL 4 CO -0.01 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.85 3kob s ILE 5 N 0.58 2.07 -0.13 2.22 1.01 -0.59 -0.17 121.20 126.19 3kob s ILE 5 Ca -0.08 -1.40 0.01 0.00 0.00 0.00 0.00 60.65 59.18 3kob s ILE 5 Cb -0.16 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3kob s ILE 5 CO 0.03 0.12 -0.17 -1.10 0.00 0.00 0.00 174.94 173.82 3kob s GLN 6 N 1.18 3.23 0.11 2.79 -0.21 0.33 -1.77 119.66 125.32 3kob s GLN 6 Ca -0.05 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.26 3kob s GLN 6 Cb -0.18 -2.52 -0.06 0.00 1.00 0.00 0.00 33.01 31.25 3kob s GLN 6 CO -0.07 0.15 1.11 0.50 -2.12 0.00 0.00 175.29 174.86 3kob s ARG 7 N 0.46 4.54 0.01 2.91 3.52 -0.77 -0.33 118.95 129.30 3kob s ARG 7 Ca -0.12 1.68 0.01 0.00 -0.13 0.00 0.00 55.73 57.16 3kob s ARG 7 Cb -0.16 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3kob s ARG 7 CO 0.05 -0.05 -0.03 0.14 -0.81 0.00 0.00 175.30 174.61 3kob s VAL 8 N 0.38 0.18 0.25 7.11 -7.23 -0.42 -1.34 120.40 119.32 3kob s VAL 8 Ca 0.53 -0.50 0.24 0.00 -1.81 0.00 0.00 61.98 60.43 3kob s VAL 8 Cb -0.28 -0.23 0.23 0.00 0.56 0.00 0.00 36.38 36.66 3kob s VAL 8 CO 0.32 -0.21 1.89 0.11 -0.31 0.00 0.00 175.10 176.90 3kob h LYS 9 N 5.38 0.00 0.00 4.82 1.79 -1.41 -1.91 116.57 125.24 3kob h LYS 9 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3kob h LYS 9 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3kob h LYS 9 CO 0.46 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.46 3kob n GLY 10 N -0.14 1.29 3.46 3.86 0.00 -1.19 -0.98 105.19 111.49 3kob n GLY 10 Ca -0.01 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.45 -0.22 4.61 0.00 0.37 -2.80 121.76 120.27 3kob s ALA 11 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 3kob s ALA 11 Cb 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.72 3kob s ALA 11 CO 0.00 -0.31 0.09 0.42 0.00 0.00 0.00 175.76 175.96 3kob s ILE 12 N -0.45 0.20 0.02 0.00 1.01 -1.05 -1.34 121.20 119.59 3kob s ILE 12 Ca -0.06 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3kob s ILE 12 Cb -0.03 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 3kob s ILE 12 CO 0.04 -0.42 0.42 -0.22 0.00 0.00 0.00 174.94 174.76 3kob s LEU 13 N 1.99 4.46 -0.03 2.97 0.20 0.45 -2.37 118.68 126.35 3kob s LEU 13 Ca 0.04 0.96 -0.03 0.00 0.69 0.00 0.00 54.13 55.79 3kob s LEU 13 Cb -0.16 -2.67 0.01 0.00 -0.43 0.00 0.00 46.19 42.94 3kob s LEU 13 CO -0.18 0.30 0.09 -0.44 -0.29 0.00 0.00 176.35 175.83 3kob s SER 14 N -1.19 -0.09 0.41 3.68 0.01 -0.40 -0.76 113.70 115.36 3kob s SER 14 Ca 0.25 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.72 3kob s SER 14 Cb -0.16 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.27 3kob s SER 14 CO 0.14 -0.03 0.26 1.33 0.41 0.00 0.00 173.24 175.35 3kob n VAL 15 N 3.06 0.00 -3.80 3.43 0.24 -0.54 -0.83 118.33 119.88 3kob n VAL 15 Ca -0.13 -1.69 -0.36 0.00 -2.04 0.00 0.00 64.34 60.12 3kob n VAL 15 Cb 0.59 -0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.78 3kob n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kob s ARG 16 N -3.67 3.62 -0.17 7.34 0.52 -1.26 -0.01 118.95 125.33 3kob s ARG 16 Ca 0.20 -0.50 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 3kob s ARG 16 Cb -0.02 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 3kob s ARG 16 CO 0.12 -0.17 0.24 -0.51 0.02 0.00 0.00 175.30 175.01 3kob s LEU 27 N 1.53 4.24 -0.03 2.53 1.43 -1.26 -5.15 118.68 121.97 3kob s LEU 27 Ca 0.06 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3kob s LEU 27 Cb -0.15 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3kob s LEU 27 CO 0.03 0.14 -0.00 -1.83 0.23 0.00 0.00 176.35 174.91 3kob s GLU 28 N 0.35 0.36 -0.19 1.70 -1.05 0.98 -5.11 118.70 115.75 3kob s GLU 28 Ca 0.14 0.08 -0.32 0.00 -0.15 0.00 0.00 54.97 54.72 3kob s GLU 28 Cb -0.12 -0.56 -0.09 0.00 -0.44 0.00 0.00 34.13 32.91 3kob s GLU 28 CO 0.02 -0.16 2.07 -0.89 0.95 0.00 0.00 175.26 177.26 3kob n ILE 29 N 4.28 0.42 0.06 1.83 5.41 -1.26 -1.47 119.36 128.63 3kob n ILE 29 Ca -0.23 -0.26 0.01 0.00 1.00 0.00 0.00 62.75 63.27 3kob n ILE 29 Cb 0.50 -2.06 -0.01 0.00 -0.71 0.00 0.00 39.64 37.37 3kob n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3kob n ILE 30 N 6.51 0.00 -4.04 1.39 -5.35 0.06 -4.98 119.36 112.94 3kob n ILE 30 Ca 0.30 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 3kob n ILE 30 Cb 0.33 1.00 -0.12 0.00 -1.74 0.00 0.00 39.64 39.12 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 -0.97 0.64 -0.22 7.28 0.01 -1.00 -4.98 113.70 114.47 3kob s SER 31 Ca 0.01 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 3kob s SER 31 Cb 0.01 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.34 3kob s SER 31 CO 0.05 -0.19 0.57 -0.70 0.41 0.00 0.00 173.24 173.38 3kob s GLU 32 N -1.32 0.65 0.05 12.44 2.12 -1.26 -0.41 118.70 130.97 3kob s GLU 32 Ca -0.10 0.86 0.04 0.00 0.36 0.00 0.00 54.97 56.14 3kob s GLU 32 Cb -0.09 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 3kob s GLU 32 CO -0.00 -0.10 -0.12 0.96 -0.54 0.00 0.00 175.26 175.46 3kob s ILE 33 N 0.63 0.94 0.00 -3.70 -4.36 -0.45 -4.93 121.20 109.33 3kob s ILE 33 Ca -0.03 -1.06 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 3kob s ILE 33 Cb -0.05 -0.90 0.00 0.00 1.25 0.00 0.00 42.46 42.76 3kob s ILE 33 CO -0.04 -0.14 0.00 0.29 0.24 0.00 0.00 174.94 175.29 3kob n LYS 34 N 1.69 1.10 -1.71 0.37 4.76 -1.26 -0.48 118.16 122.63 3kob n LYS 34 Ca -0.20 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 3kob n LYS 34 Cb 0.55 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.73 3kob n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kob n ASN 35 N 0.00 2.99 0.00 4.39 3.02 -0.15 -3.15 115.26 122.36 3kob n ASN 35 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 3kob n ASN 35 Cb 0.00 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.67 3kob n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kob n GLY 36 N 0.98 -0.53 3.19 7.41 0.00 -0.72 -2.76 105.19 112.77 3kob n GLY 36 Ca 0.05 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 2.00 -0.10 0.99 1.43 -0.98 -1.30 118.68 120.71 3kob s LEU 37 Ca 0.00 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3kob s LEU 37 Cb 0.00 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 3kob s LEU 37 CO 0.00 0.21 0.05 -0.51 0.23 0.00 0.00 176.35 176.33 3kob s ILE 38 N -0.24 4.73 -0.21 -0.59 2.07 0.56 -0.66 121.20 126.85 3kob s ILE 38 Ca 0.02 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.14 3kob s ILE 38 Cb -0.10 -3.02 0.07 0.00 0.13 0.00 0.00 42.46 39.54 3kob s ILE 38 CO 0.01 0.61 0.06 0.00 -1.91 0.00 0.00 174.94 173.71 3kob s PHE 40 N 1.89 3.15 -0.35 0.00 0.08 0.76 -0.60 117.98 122.90 3kob s PHE 40 Ca 0.02 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.23 3kob s PHE 40 Cb -0.17 -3.09 0.08 0.00 -0.57 0.00 0.00 43.02 39.27 3kob s PHE 40 CO -0.13 -0.64 0.09 -1.17 -0.10 0.00 0.00 175.22 173.27 3kob s LEU 41 N 2.59 4.52 -0.07 -0.37 0.20 0.10 -1.38 118.68 124.28 3kob s LEU 41 Ca 0.21 -1.61 -0.08 0.00 0.69 0.00 0.00 54.13 53.34 3kob s LEU 41 Cb -0.15 -1.77 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 3kob s LEU 41 CO 0.15 -0.39 0.22 -0.83 -0.29 0.00 0.00 176.35 175.22 3kob s GLY 42 N 1.48 2.25 -0.33 7.98 0.00 0.24 -0.50 107.32 118.43 3kob s GLY 42 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.21 3kob s GLY 42 CO -0.02 -0.28 0.09 -0.42 0.00 0.00 0.00 173.10 172.47 3kob s ILE 43 N -1.10 1.56 0.65 0.90 1.01 -1.26 -0.30 121.20 122.66 3kob s ILE 43 Ca 0.20 -1.92 -0.17 0.00 0.00 0.00 0.00 60.65 58.75 3kob s ILE 43 Cb -0.13 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 3kob s ILE 43 CO 0.09 -0.66 0.57 1.57 0.00 0.00 0.00 174.94 176.51 3kob n HIS 44 N 4.48 -0.58 0.30 3.97 -0.00 -1.26 -1.18 115.22 120.95 3kob n HIS 44 Ca 0.01 0.40 0.18 0.00 -0.00 0.00 0.00 57.72 58.31 3kob n HIS 44 Cb 0.41 -1.95 0.84 0.00 -0.00 0.00 0.00 29.99 29.29 3kob n HIS 44 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 3kob h LYS 45 N -0.03 0.00 -0.19 1.57 2.10 -1.71 -3.01 116.57 115.29 3kob h LYS 45 Ca -0.46 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.14 3kob h LYS 45 Cb 1.37 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.67 3kob h LYS 45 CO 0.45 0.00 -0.09 0.09 -2.00 0.00 0.00 179.45 177.90 3kob n ASN 46 N -2.95 2.79 -4.75 7.07 3.02 -1.26 -4.89 115.26 114.28 3kob n ASN 46 Ca -0.01 -3.39 -0.41 0.00 -0.03 0.00 0.00 54.58 50.75 3kob n ASN 46 Cb 0.21 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.53 6.96 0.16 6.41 1.01 -1.14 -5.04 116.67 122.51 3kob s ASP 47 Ca 0.40 2.45 0.06 0.00 0.71 0.00 0.00 52.55 56.16 3kob s ASP 47 Cb 0.35 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3kob s ASP 47 CO 0.02 -0.43 0.08 0.42 0.21 0.00 0.00 175.17 175.48 3kob s THR 48 N -0.59 4.20 0.30 -1.27 -4.23 -1.26 -5.00 115.64 107.80 3kob s THR 48 Ca 0.51 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3kob s THR 48 Cb -0.36 -3.12 0.41 0.00 1.34 0.00 0.00 72.50 70.77 3kob s THR 48 CO 0.43 -0.08 1.57 -0.25 -0.54 0.00 0.00 174.62 175.76 3kob h TRP 49 N 2.62 -0.13 -0.95 3.99 2.91 -2.00 0.72 115.95 123.11 3kob h TRP 49 Ca -0.47 0.07 0.33 0.00 1.13 0.00 0.00 58.89 59.95 3kob h TRP 49 Cb 1.20 0.22 -0.17 0.00 -0.51 0.00 0.00 29.16 29.89 3kob h TRP 49 CO 0.60 -0.42 0.27 0.39 -1.03 0.00 0.00 178.44 178.25 3kob n GLU 50 N -5.50 -0.07 -0.25 2.65 -0.58 -1.26 0.12 120.64 115.75 3kob n GLU 50 Ca 0.21 1.36 -0.02 0.00 -0.42 0.00 0.00 57.16 58.30 3kob n GLU 50 Cb 0.70 -2.31 0.09 0.00 -0.57 0.00 0.00 31.44 29.36 3kob n GLU 50 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3kob h ASP 51 N 0.00 0.67 0.72 1.62 3.32 0.08 -1.45 116.42 121.37 3kob h ASP 51 Ca 0.69 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.71 3kob h ASP 51 Cb 1.67 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 3kob h ASP 51 CO -0.81 0.45 -0.20 0.00 -1.72 0.00 0.00 179.24 176.95 3kob h ALA 52 N 1.33 1.11 -0.02 3.45 0.00 0.85 -2.72 119.26 123.25 3kob h ALA 52 Ca 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kob h ALA 52 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kob h ALA 52 CO -0.14 0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 179.18 3kob h LEU 53 N 0.00 0.14 -0.45 0.00 -0.00 -0.45 -2.12 115.31 112.43 3kob h LEU 53 Ca -0.00 -0.66 0.09 0.00 -0.00 0.00 0.00 57.88 57.30 3kob h LEU 53 Cb 0.62 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.16 3kob h LEU 53 CO 0.03 0.78 -0.02 0.22 -0.00 0.00 0.00 178.44 179.45 3kob h TYR 54 N -0.49 -0.06 0.27 1.13 3.20 -1.17 0.16 116.97 120.01 3kob h TYR 54 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3kob h TYR 54 Cb 0.78 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3kob h TYR 54 CO 0.15 -0.11 -0.20 0.82 -1.64 0.00 0.00 178.16 177.18 3kob h ILE 55 N 0.09 0.00 -0.72 1.81 1.08 -1.52 -1.18 117.51 117.07 3kob h ILE 55 Ca 0.22 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.79 3kob h ILE 55 Cb 0.33 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.96 3kob h ILE 55 CO -0.38 0.00 -0.46 0.40 -0.69 0.00 0.00 178.15 177.02 3kob h ILE 56 N -0.45 0.05 0.00 -0.67 2.04 -0.99 -0.84 117.51 116.65 3kob h ILE 56 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3kob h ILE 56 Cb 0.38 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3kob h ILE 56 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 178.15 177.02 3kob n ARG 57 N -5.39 0.00 -0.18 2.37 0.63 0.53 -2.78 116.66 111.83 3kob n ARG 57 Ca 0.03 0.75 -0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3kob n ARG 57 Cb 0.34 -1.28 0.09 0.00 0.45 0.00 0.00 32.46 32.06 3kob n ARG 57 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3kob h LYS 58 N 0.00 0.15 -0.57 -0.14 1.79 0.11 0.47 116.57 118.39 3kob h LYS 58 Ca 0.00 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 3kob h LYS 58 Cb 0.00 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.54 3kob h LYS 58 CO 0.00 0.10 -0.42 0.00 -1.08 0.00 0.00 179.45 178.05 3kob h LEU 60 N -0.11 0.47 0.00 0.00 3.38 -1.20 -3.36 115.31 114.49 3kob h LEU 60 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3kob h LEU 60 Cb 0.35 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3kob h LEU 60 CO -0.59 0.33 -1.12 0.78 0.09 0.00 0.00 178.44 177.94 3kob h ASN 61 N 0.57 0.00 -4.02 -0.43 4.21 0.26 -3.24 115.58 112.92 3kob h ASN 61 Ca 0.18 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 57.14 3kob h ASN 61 Cb -0.00 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 37.35 3kob h ASN 61 CO -0.07 0.76 0.54 0.18 -1.29 0.00 0.00 177.43 177.55 3kob n LEU 62 N -3.14 5.63 -3.16 1.61 4.77 0.67 -4.77 117.00 118.61 3kob n LEU 62 Ca -0.05 0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 56.44 3kob n LEU 62 Cb 0.88 -1.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.45 3kob n LEU 62 CO 0.44 -0.82 1.47 0.54 -1.33 0.00 0.00 177.39 177.69 3kob n ARG 63 N -1.36 3.72 0.00 3.23 1.74 -1.26 -4.04 116.66 118.69 3kob n ARG 63 Ca 0.13 -3.96 0.00 0.00 -0.77 0.00 0.00 57.85 53.25 3kob n ARG 63 Cb 0.46 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 3kob n ARG 63 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kob n LEU 64 N -0.37 0.19 -4.23 0.55 4.77 -1.21 -2.53 117.00 114.18 3kob n LEU 64 Ca 0.51 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.09 3kob n LEU 64 Cb 0.25 -0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.08 3kob n LEU 64 CO 0.51 0.05 -0.55 0.26 -1.33 0.00 0.00 177.39 176.32 3kob s TRP 65 N -1.80 2.32 0.99 -1.77 0.51 -0.90 -4.90 118.94 113.39 3kob s TRP 65 Ca 0.00 -0.75 -0.12 0.00 -2.12 0.00 0.00 56.10 53.11 3kob s TRP 65 Cb 0.00 -1.54 0.18 0.00 -0.81 0.00 0.00 33.47 31.30 3kob s TRP 65 CO 0.00 -0.25 1.09 -0.80 -0.51 0.00 0.00 176.95 176.47 3kob s ASN 66 N -0.00 2.68 -0.29 2.95 0.01 -1.26 0.10 114.94 119.13 3kob s ASN 66 Ca -0.07 1.30 -0.05 0.00 -0.71 0.00 0.00 52.86 53.33 3kob s ASN 66 Cb -0.14 -1.97 0.16 0.00 0.41 0.00 0.00 41.25 39.70 3kob s ASN 66 CO 0.05 -3.11 0.59 0.21 -1.51 0.00 0.00 177.10 173.32 3kob s ASN 67 N -3.36 -1.12 -0.94 -1.22 2.47 0.14 -4.59 114.94 106.33 3kob s ASN 67 Ca 0.65 1.10 -0.10 0.00 0.42 0.00 0.00 52.86 54.94 3kob s ASN 67 Cb -0.19 2.10 0.00 0.00 -1.45 0.00 0.00 41.25 41.71 3kob s ASN 67 CO 0.58 -0.25 0.69 -0.67 -3.72 0.00 0.00 177.10 173.73 3kob n ASP 68 N 5.43 -5.55 0.00 -4.21 2.03 -1.26 -1.92 116.55 111.08 3kob n ASP 68 Ca -0.06 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.43 3kob n ASP 68 Cb 0.50 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 3kob n ASP 68 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kob n ASN 69 N -2.40 -2.52 -4.42 1.67 2.85 -1.26 -5.02 115.26 104.17 3kob n ASN 69 Ca -0.17 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.05 3kob n ASN 69 Cb 0.61 -0.71 -0.11 0.00 1.24 0.00 0.00 39.78 40.81 3kob n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3kob s LYS 70 N -0.20 1.51 0.30 1.20 1.02 -0.81 -5.16 119.74 117.59 3kob s LYS 70 Ca 0.00 -1.56 0.10 0.00 0.02 0.00 0.00 55.97 54.53 3kob s LYS 70 Cb 0.00 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.55 3kob s LYS 70 CO 0.00 0.35 -0.06 0.95 -0.92 0.00 0.00 175.35 175.67 3kob s THR 71 N -1.98 2.85 -1.01 2.17 -4.23 -1.26 0.28 115.64 112.46 3kob s THR 71 Ca 0.22 -2.09 -0.28 0.00 -1.18 0.00 0.00 61.69 58.36 3kob s THR 71 Cb -0.07 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3kob s THR 71 CO 0.10 -0.32 0.57 0.79 -0.54 0.00 0.00 174.62 175.22 3kob n TRP 72 N -0.83 -1.19 0.05 3.99 7.02 -1.23 -4.77 117.44 120.47 3kob n TRP 72 Ca -0.05 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 3kob n TRP 72 Cb 0.60 -2.33 0.00 0.00 -2.42 0.00 0.00 31.31 27.17 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 -1.68 0.93 -4.85 -0.99 2.03 0.29 -4.83 116.55 107.44 3kob n ASP 73 Ca -0.11 0.13 -0.34 0.00 0.52 0.00 0.00 54.79 55.00 3kob n ASP 73 Cb 0.48 -0.27 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.87 3.97 0.59 -0.67 -0.14 -0.70 -4.81 119.74 116.11 3kob s LYS 74 Ca 0.00 0.50 0.08 0.00 -1.36 0.00 0.00 55.97 55.19 3kob s LYS 74 Cb 0.00 -2.81 0.08 0.00 -1.68 0.00 0.00 37.83 33.43 3kob s LYS 74 CO 0.00 0.40 0.68 0.54 -0.76 0.00 0.00 175.35 176.21 3kob s ASN 75 N -1.92 4.87 0.15 2.83 2.20 -1.26 -2.11 114.94 119.70 3kob s ASN 75 Ca 0.42 -1.06 -0.22 0.00 -0.94 0.00 0.00 52.86 51.06 3kob s ASN 75 Cb -0.14 0.50 0.04 0.00 -2.00 0.00 0.00 41.25 39.64 3kob s ASN 75 CO 0.20 -1.35 1.63 -0.37 -2.94 0.00 0.00 177.10 174.27 3kob h VAL 76 N 0.31 0.39 0.18 3.54 -1.51 -1.69 -3.07 116.25 114.40 3kob h VAL 76 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3kob h VAL 76 Cb 1.30 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 3kob h VAL 76 CO 0.46 0.00 -0.43 0.11 -1.23 0.00 0.00 177.57 176.48 3kob h LYS 77 N -0.24 -0.65 -0.73 5.19 1.57 -1.84 -0.87 116.57 119.01 3kob h LYS 77 Ca 0.14 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.13 3kob h LYS 77 Cb 0.46 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 32.78 3kob h LYS 77 CO -0.40 -0.43 -0.12 -0.25 -0.57 0.00 0.00 179.45 177.68 3kob n ASP 78 N -4.92 -0.20 -0.49 0.86 8.00 -1.20 0.73 116.55 119.33 3kob n ASP 78 Ca -0.08 1.25 0.05 0.00 0.71 0.00 0.00 54.79 56.72 3kob n ASP 78 Cb 0.35 -0.40 0.17 0.00 -0.02 0.00 0.00 41.12 41.22 3kob n ASP 78 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kob n LEU 79 N -5.12 1.43 -3.27 0.64 4.77 -0.36 -4.88 117.00 110.21 3kob n LEU 79 Ca 0.13 -0.70 -0.24 0.00 -0.03 0.00 0.00 56.01 55.18 3kob n LEU 79 Cb 0.43 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3kob n LEU 79 CO -0.08 0.35 0.02 0.59 -1.33 0.00 0.00 177.39 176.94 3kob n ASN 80 N 0.26 -5.26 -4.91 -1.43 4.13 0.22 -4.99 115.26 103.28 3kob n ASN 80 Ca 0.10 -0.39 -0.28 0.00 1.68 0.00 0.00 54.58 55.69 3kob n ASN 80 Cb 0.24 -4.26 -0.03 0.00 -1.54 0.00 0.00 39.78 34.18 3kob n ASN 80 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3kob s TYR 81 N -3.12 3.48 0.89 3.10 2.02 -1.05 -5.05 117.35 117.60 3kob s TYR 81 Ca 0.39 0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 57.49 3kob s TYR 81 Cb -0.19 -1.98 0.18 0.00 -0.40 0.00 0.00 41.96 39.56 3kob s TYR 81 CO 0.49 0.30 1.22 -1.21 -1.57 0.00 0.00 175.55 174.78 3kob s GLU 82 N -3.32 0.97 -0.04 -0.62 8.01 -1.11 -4.70 118.70 117.90 3kob s GLU 82 Ca 0.41 -0.62 -0.01 0.00 0.01 0.00 0.00 54.97 54.76 3kob s GLU 82 Cb -0.11 -1.99 0.03 0.00 -4.31 0.00 0.00 34.13 27.75 3kob s GLU 82 CO 0.29 -2.11 0.09 -0.51 0.01 0.00 0.00 175.26 173.02 3kob s LEU 83 N -5.66 0.89 -0.42 1.80 1.43 -0.95 -2.33 118.68 113.45 3kob s LEU 83 Ca 0.71 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 3kob s LEU 83 Cb -0.04 0.14 0.07 0.00 0.03 0.00 0.00 46.19 46.39 3kob s LEU 83 CO 0.50 -0.14 0.26 -0.22 0.23 0.00 0.00 176.35 176.98 3kob s LEU 84 N 1.13 5.11 -0.34 1.79 2.96 0.16 0.19 118.68 129.70 3kob s LEU 84 Ca -0.09 -1.39 -0.17 0.00 -0.22 0.00 0.00 54.13 52.26 3kob s LEU 84 Cb -0.12 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3kob s LEU 84 CO -0.04 -0.52 0.47 -0.63 -1.32 0.00 0.00 176.35 174.31 3kob s ILE 85 N 1.47 5.06 -0.10 6.68 -1.09 0.95 -0.58 121.20 133.58 3kob s ILE 85 Ca 0.03 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.81 3kob s ILE 85 Cb -0.22 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3kob s ILE 85 CO 0.03 -0.14 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.73 3kob s VAL 86 N 2.29 2.60 0.17 2.92 1.01 0.23 -2.92 120.40 126.70 3kob s VAL 86 Ca 0.17 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3kob s VAL 86 Cb -0.16 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 3kob s VAL 86 CO 0.12 0.55 1.25 -0.55 0.00 0.00 0.00 175.10 176.48 3kob s SER 87 N 0.14 7.00 -0.40 3.32 0.15 -1.26 0.02 113.70 122.67 3kob s SER 87 Ca -0.10 2.28 0.03 0.00 0.70 0.00 0.00 55.95 58.87 3kob s SER 87 Cb -0.16 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.71 3kob s SER 87 CO 0.06 -0.46 0.38 -1.10 1.20 0.00 0.00 173.24 173.32 3kob s GLN 88 N 0.03 0.78 0.54 5.44 -1.52 0.34 -4.76 119.66 120.51 3kob s GLN 88 Ca 0.56 -1.44 0.32 0.00 -1.95 0.00 0.00 55.36 52.85 3kob s GLN 88 Cb -0.34 -0.98 1.42 0.00 -0.22 0.00 0.00 33.01 32.89 3kob s GLN 88 CO 0.36 -1.29 2.02 0.27 -0.25 0.00 0.00 175.29 176.40 3kob h PHE 89 N 6.23 0.00 0.00 0.91 -5.15 -1.96 -2.55 116.94 114.41 3kob h PHE 89 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 3kob h PHE 89 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 3kob h PHE 89 CO 0.29 0.07 0.00 0.25 -2.00 0.00 0.00 178.31 176.92 3kob n THR 90 N -3.27 1.82 0.21 0.88 -2.24 -1.26 0.75 114.28 111.18 3kob n THR 90 Ca -0.00 0.51 0.08 0.00 -2.27 0.00 0.00 64.05 62.37 3kob n THR 90 Cb 0.29 -1.50 0.41 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.00 -2.61 3.22 3.38 -1.88 -0.58 115.31 116.85 3kob h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kob h LEU 91 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kob h LEU 91 CO 0.00 0.28 0.00 0.49 0.09 0.00 0.00 178.44 179.30 3kob n PHE 92 N -3.44 1.28 -1.68 1.13 3.72 0.23 -4.89 117.46 113.80 3kob n PHE 92 Ca 0.00 -0.48 -0.56 0.00 -0.05 0.00 0.00 57.45 56.36 3kob n PHE 92 Cb 0.46 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.67 3kob n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kob n GLY 93 N 0.81 0.77 3.63 1.37 0.00 -0.23 -4.41 105.19 107.12 3kob n GLY 93 Ca 0.20 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.71 3kob n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kob s ASN 94 N 2.81 6.29 -0.36 1.61 2.47 -0.47 -4.96 114.94 122.32 3kob s ASN 94 Ca 0.95 0.33 0.06 0.00 0.42 0.00 0.00 52.86 54.62 3kob s ASN 94 Cb -1.04 -2.21 0.47 0.00 -1.45 0.00 0.00 41.25 37.03 3kob s ASN 94 CO 0.61 -0.14 1.45 0.35 -3.72 0.00 0.00 177.10 175.65 3kob n THR 95 N 4.85 2.74 -0.04 -5.21 -2.24 -1.26 -3.48 114.28 109.65 3kob n THR 95 Ca -0.09 -3.44 -0.04 0.00 -2.27 0.00 0.00 64.05 58.21 3kob n THR 95 Cb 0.51 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 3kob n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kob n LYS 96 N -0.91 2.61 0.00 -0.78 5.02 -1.26 -4.70 118.16 118.14 3kob n LYS 96 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3kob n LYS 96 Cb 0.92 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 3kob n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kob n LYS 97 N -2.31 0.00 0.00 1.97 4.76 -1.26 -5.05 118.16 116.27 3kob n LYS 97 Ca -0.12 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3kob n LYS 97 Cb 0.73 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 3kob n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kob n GLY 98 N -0.13 4.05 0.26 0.72 0.00 -1.26 -5.03 105.19 103.80 3kob n GLY 98 Ca 0.00 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.20 3kob n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kob h ASN 99 N 0.00 0.00 -3.35 1.61 2.35 -1.95 -3.39 115.58 110.85 3kob h ASN 99 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3kob h ASN 99 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3kob h ASN 99 CO 0.00 0.03 0.04 -0.75 -1.65 0.00 0.00 177.43 175.09 3kob s LYS 100 N -3.57 4.40 -0.19 0.81 2.20 -1.26 -5.06 119.74 117.07 3kob s LYS 100 Ca 0.02 0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 56.27 3kob s LYS 100 Cb 0.08 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3kob s LYS 100 CO 0.58 0.18 0.40 -1.25 -0.36 0.00 0.00 175.35 174.90 3kob s PRO 101 N 0.42 4.20 -0.13 4.03 0.04 -1.26 -4.90 135.00 137.40 3kob s PRO 101 Ca 0.34 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.46 3kob s PRO 101 Cb -0.18 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 3kob s PRO 101 CO 0.17 0.01 0.30 0.16 0.04 0.00 0.00 177.00 177.68 3kob s ASP 102 N 0.94 6.49 -0.23 6.66 1.47 -1.23 -4.80 116.67 125.98 3kob s ASP 102 Ca 0.19 0.58 0.14 0.00 1.18 0.00 0.00 52.55 54.65 3kob s ASP 102 Cb -0.15 -2.19 0.74 0.00 -0.34 0.00 0.00 42.92 40.99 3kob s ASP 102 CO 0.08 0.15 1.67 0.49 0.68 0.00 0.00 175.17 178.24 3kob n PHE 103 N 3.20 1.82 -0.38 2.11 3.72 -1.26 -1.37 117.46 125.30 3kob n PHE 103 Ca -0.13 -0.83 -0.05 0.00 -0.05 0.00 0.00 57.45 56.40 3kob n PHE 103 Cb 0.52 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 3kob n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kob n HIS 104 N 0.23 -0.16 0.07 1.38 8.25 -1.26 -1.52 115.22 122.20 3kob n HIS 104 Ca 0.28 1.19 0.01 0.00 -0.26 0.00 0.00 57.72 58.93 3kob n HIS 104 Cb 1.14 -0.74 0.03 0.00 1.12 0.00 0.00 29.99 31.54 3kob n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kob n LEU 105 N -5.33 0.00 -4.85 2.41 4.32 -1.26 -4.65 117.00 107.64 3kob n LEU 105 Ca 0.07 0.11 -0.33 0.00 -0.02 0.00 0.00 56.01 55.84 3kob n LEU 105 Cb 0.33 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 3kob n LEU 105 CO -0.14 -0.11 0.37 0.00 -1.22 0.00 0.00 177.39 176.29 3kob s ALA 106 N -2.22 3.38 0.32 -1.18 0.00 -0.57 -2.61 121.76 118.87 3kob s ALA 106 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 3kob s ALA 106 Cb 0.01 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 3kob s ALA 106 CO 0.02 0.37 1.30 0.21 0.00 0.00 0.00 175.76 177.66 3kob s LYS 107 N -2.88 4.37 0.13 0.00 2.20 -0.32 -4.43 119.74 118.80 3kob s LYS 107 Ca 0.52 2.19 -0.31 0.00 -0.36 0.00 0.00 55.97 58.01 3kob s LYS 107 Cb -0.11 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 3kob s LYS 107 CO 0.18 -0.18 1.77 -2.00 -0.36 0.00 0.00 175.35 174.77 3kob s GLU 108 N -1.61 4.15 0.22 4.03 -6.30 -1.26 -4.61 118.70 113.32 3kob s GLU 108 Ca 0.50 2.55 -0.13 0.00 -2.50 0.00 0.00 54.97 55.38 3kob s GLU 108 Cb -0.39 -3.49 0.28 0.00 0.00 0.00 0.00 34.13 30.53 3kob s GLU 108 CO 0.51 -0.80 1.60 -1.00 0.02 0.00 0.00 175.26 175.59 3kob h PRO 109 N 8.18 -0.02 -0.93 4.30 0.13 -1.97 0.99 132.00 142.69 3kob h PRO 109 Ca -0.45 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 3kob h PRO 109 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 3kob h PRO 109 CO 0.95 -0.01 0.60 -0.91 -0.23 0.00 0.00 178.00 178.39 3kob h ASN 110 N -0.02 0.52 0.09 1.44 4.21 -2.01 -0.73 115.58 119.09 3kob h ASN 110 Ca 0.34 0.05 -0.32 0.00 1.21 0.00 0.00 56.30 57.58 3kob h ASN 110 Cb 0.54 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 37.64 3kob h ASN 110 CO -0.75 0.21 -2.24 -0.62 -1.29 0.00 0.00 177.43 172.74 3kob n GLU 111 N -4.57 0.68 0.18 0.81 1.02 -0.16 -4.03 120.64 114.56 3kob n GLU 111 Ca 0.20 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 3kob n GLU 111 Cb 0.64 -1.57 0.62 0.00 -0.02 0.00 0.00 31.44 31.12 3kob n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kob h ALA 112 N 1.10 2.05 -0.40 0.62 0.00 -0.56 -2.87 119.26 119.19 3kob h ALA 112 Ca -0.46 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3kob h ALA 112 Cb 2.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3kob h ALA 112 CO 0.03 -0.08 -0.33 1.25 0.00 0.00 0.00 179.25 180.13 3kob h LEU 113 N 0.08 0.95 0.18 0.00 5.85 -1.28 -0.84 115.31 120.25 3kob h LEU 113 Ca 0.07 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3kob h LEU 113 Cb 0.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kob h LEU 113 CO -0.01 1.19 -0.37 0.40 -0.34 0.00 0.00 178.44 179.31 3kob h ILE 114 N 0.76 0.00 -0.71 4.05 2.04 -1.67 -2.60 117.51 119.37 3kob h ILE 114 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.07 3kob h ILE 114 Cb 0.90 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.85 3kob h ILE 114 CO 0.08 0.00 -0.24 0.15 0.00 0.00 0.00 178.15 178.15 3kob h PHE 115 N -0.59 -0.57 -0.14 1.37 -0.00 -1.35 -0.57 116.94 115.09 3kob h PHE 115 Ca -0.02 0.07 0.04 0.00 -0.00 0.00 0.00 57.97 58.06 3kob h PHE 115 Cb 0.56 0.36 -0.07 0.00 -0.00 0.00 0.00 35.95 36.81 3kob h PHE 115 CO -0.33 -0.34 -0.43 -0.92 -0.00 0.00 0.00 178.31 176.29 3kob h TYR 116 N -0.05 -1.23 -0.41 0.41 5.03 -1.09 -1.18 116.97 118.45 3kob h TYR 116 Ca 0.32 0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.75 3kob h TYR 116 Cb 0.55 0.56 -0.06 0.00 1.55 0.00 0.00 36.73 39.33 3kob h TYR 116 CO -0.62 -0.48 0.06 -0.91 -1.32 0.00 0.00 178.16 174.89 3kob h ASN 117 N -0.50 -0.04 -0.47 -2.11 4.21 -0.73 0.20 115.58 116.14 3kob h ASN 117 Ca 0.07 0.08 0.09 0.00 1.21 0.00 0.00 56.30 57.75 3kob h ASN 117 Cb 0.63 0.12 -0.10 0.00 -1.12 0.00 0.00 38.32 37.85 3kob h ASN 117 CO -0.40 0.01 -0.29 0.11 -1.29 0.00 0.00 177.43 175.57 3kob h LYS 118 N 0.18 -0.18 -0.90 0.81 1.57 -0.95 0.12 116.57 117.22 3kob h LYS 118 Ca 0.20 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 3kob h LYS 118 Cb 0.26 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 3kob h LYS 118 CO -0.29 -0.12 0.53 0.82 -0.57 0.00 0.00 179.45 179.82 3kob h ILE 119 N -0.19 0.89 -0.07 1.86 2.04 0.02 -0.18 117.51 121.88 3kob h ILE 119 Ca 0.20 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 3kob h ILE 119 Cb 0.52 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3kob h ILE 119 CO -0.58 0.15 -0.48 0.40 0.00 0.00 0.00 178.15 177.65 3kob h ILE 120 N 0.85 1.34 -0.02 -0.67 1.08 0.11 0.19 117.51 120.39 3kob h ILE 120 Ca 0.45 -1.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.21 3kob h ILE 120 Cb 0.45 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 3kob h ILE 120 CO -0.27 0.49 -0.10 0.44 -0.69 0.00 0.00 178.15 178.02 3kob h ASP 121 N 0.14 0.12 0.11 1.72 3.32 -0.27 -3.01 116.42 118.55 3kob h ASP 121 Ca 0.01 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 3kob h ASP 121 Cb 0.90 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 3kob h ASP 121 CO 0.07 0.76 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.21 3kob h GLU 122 N -0.51 0.00 -0.52 3.56 4.57 -0.96 -0.56 114.58 120.16 3kob h GLU 122 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kob h GLU 122 Cb 0.76 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3kob h GLU 122 CO 0.02 0.06 0.34 0.74 -1.18 0.00 0.00 179.01 178.98 3kob h PHE 123 N 0.00 0.66 -0.43 0.92 0.04 -0.50 -2.24 116.94 115.39 3kob h PHE 123 Ca -0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3kob h PHE 123 Cb 0.12 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3kob h PHE 123 CO 0.00 0.43 0.13 0.87 -0.60 0.00 0.00 178.31 179.14 3kob h LYS 124 N 0.70 0.67 0.00 1.51 1.57 -1.00 -2.30 116.57 117.71 3kob h LYS 124 Ca 0.19 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kob h LYS 124 Cb -0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3kob h LYS 124 CO -0.04 0.66 0.00 -0.22 -0.57 0.00 0.00 179.45 179.28 3kob h LYS 125 N 0.55 0.00 -0.40 3.15 3.64 -1.25 -2.27 116.57 119.99 3kob h LYS 125 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kob h LYS 125 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kob h LYS 125 CO -0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 3kob n GLN 126 N -2.66 2.40 0.00 1.90 6.02 -0.85 -4.90 117.38 119.29 3kob n GLN 126 Ca -0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 3kob n GLN 126 Cb 0.17 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.28 0.00 -3.16 1.08 9.36 -0.91 -5.07 117.16 119.74 3kob n TYR 127 Ca 0.18 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.43 3kob n TYR 127 Cb 0.55 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.25 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 1.99 -1.41 0.60 2.98 3.84 -0.91 -4.99 114.94 117.04 3kob s ASN 128 Ca 0.00 0.45 0.28 0.00 0.21 0.00 0.00 52.86 53.81 3kob s ASN 128 Cb 0.00 2.04 1.23 0.00 -0.55 0.00 0.00 41.25 43.97 3kob s ASN 128 CO 0.00 -0.29 1.62 -2.24 -2.79 0.00 0.00 177.10 173.40 3kob h ASP 129 N 8.01 0.00 0.65 -4.21 -0.00 -1.89 0.22 116.42 119.20 3kob h ASP 129 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.92 3kob h ASP 129 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 3kob h ASP 129 CO 0.20 0.00 0.00 -0.67 -0.00 0.00 0.00 179.24 178.77 3kob n ASP 130 N -3.48 0.09 -0.27 4.15 2.03 -1.26 -3.33 116.55 114.49 3kob n ASP 130 Ca 0.16 0.52 0.07 0.00 0.52 0.00 0.00 54.79 56.06 3kob n ASP 130 Cb 1.09 -0.54 0.12 0.00 -0.72 0.00 0.00 41.12 41.07 3kob n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kob n LYS 131 N -1.59 1.02 -4.03 -0.67 4.76 0.79 -4.93 118.16 113.51 3kob n LYS 131 Ca 0.04 -2.34 -0.31 0.00 -2.87 0.00 0.00 58.31 52.83 3kob n LYS 131 Cb 0.22 -1.27 -0.16 0.00 -1.84 0.00 0.00 35.03 31.98 3kob n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kob s ILE 132 N -2.26 1.76 0.23 -0.18 -1.09 -1.21 -2.24 121.20 116.21 3kob s ILE 132 Ca 0.27 -1.01 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 3kob s ILE 132 Cb 0.24 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 3kob s ILE 132 CO 0.01 0.25 0.11 -0.54 -1.23 0.00 0.00 174.94 173.54 3kob s LYS 133 N 1.36 2.70 0.13 2.79 -0.14 0.13 -4.96 119.74 121.74 3kob s LYS 133 Ca -0.00 -1.12 0.01 0.00 -1.36 0.00 0.00 55.97 53.51 3kob s LYS 133 Cb -0.16 -2.45 -0.01 0.00 -1.68 0.00 0.00 37.83 33.54 3kob s LYS 133 CO -0.09 0.41 0.05 0.44 -0.76 0.00 0.00 175.35 175.40 3kob n ILE 134 N -0.82 0.00 -4.39 2.17 -5.35 -1.26 -0.04 119.36 109.68 3kob n ILE 134 Ca -0.08 -0.78 -0.19 0.00 -0.27 0.00 0.00 62.75 61.43 3kob n ILE 134 Cb 0.57 0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.65 3kob n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kob s GLY 135 N -1.81 1.96 -0.23 3.28 0.00 -1.15 -4.78 107.32 104.59 3kob s GLY 135 Ca 0.07 -1.90 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 3kob s GLY 135 CO 0.05 -1.70 1.19 0.54 0.00 0.00 0.00 173.10 173.18 3kob s LYS 136 N -3.94 4.15 0.00 2.90 -0.14 -1.26 -4.93 119.74 116.52 3kob s LYS 136 Ca 0.36 1.42 0.00 0.00 -1.36 0.00 0.00 55.97 56.39 3kob s LYS 136 Cb 0.08 -3.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 3kob s LYS 136 CO 0.15 -0.81 0.72 0.34 -0.76 0.00 0.00 175.35 174.99 3kob n PHE 137 N 6.80 0.00 -0.34 3.18 7.35 -1.26 -2.91 117.46 130.28 3kob n PHE 137 Ca 0.13 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.97 3kob n PHE 137 Cb 0.46 -0.22 0.35 0.00 0.35 0.00 0.00 39.48 40.42 3kob n PHE 137 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3kob h GLY 138 N 0.00 1.80 -1.99 7.13 0.00 -2.00 -3.45 103.07 104.57 3kob h GLY 138 Ca 0.00 -0.30 -0.49 0.00 0.00 0.00 0.00 47.33 46.55 3kob h GLY 138 CO 0.00 -0.19 0.27 -1.31 0.00 0.00 0.00 176.54 175.30 3kob s ASN 139 N -5.26 6.51 0.29 0.19 0.01 -1.14 -5.02 114.94 110.51 3kob s ASN 139 Ca -0.11 1.34 -0.29 0.00 -0.71 0.00 0.00 52.86 53.09 3kob s ASN 139 Cb 0.26 -2.42 -0.10 0.00 0.41 0.00 0.00 41.25 39.40 3kob s ASN 139 CO 0.79 -0.55 1.33 -0.47 -1.51 0.00 0.00 177.10 176.69 3kob s TYR 140 N -2.61 3.09 0.09 2.20 5.04 -1.26 -4.89 117.35 119.01 3kob s TYR 140 Ca 0.55 1.31 0.06 0.00 -2.44 0.00 0.00 57.07 56.55 3kob s TYR 140 Cb -0.10 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 3kob s TYR 140 CO 0.35 -1.99 -0.16 -1.64 -1.34 0.00 0.00 175.55 170.78 3kob s MET 141 N -1.24 0.93 -0.16 4.97 -1.94 -1.26 -4.42 119.30 116.18 3kob s MET 141 Ca 0.52 -1.06 -0.01 0.00 -1.71 0.00 0.00 55.69 53.43 3kob s MET 141 Cb -0.39 -0.97 0.04 0.00 2.01 0.00 0.00 34.83 35.52 3kob s MET 141 CO 0.48 0.21 -0.03 1.21 -0.01 0.00 0.00 175.02 176.89 3kob s ASN 142 N -1.92 2.69 -0.12 3.03 2.47 -0.01 -4.99 114.94 116.08 3kob s ASN 142 Ca 0.02 -0.62 0.02 0.00 0.42 0.00 0.00 52.86 52.70 3kob s ASN 142 Cb -0.09 -0.79 0.01 0.00 -1.45 0.00 0.00 41.25 38.94 3kob s ASN 142 CO 0.03 -0.21 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.39 3kob s ILE 143 N 1.72 1.74 -0.18 -5.21 1.01 -1.26 -1.28 121.20 117.74 3kob s ILE 143 Ca 0.01 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 3kob s ILE 143 Cb -0.15 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3kob s ILE 143 CO -0.07 0.49 0.70 -1.81 0.00 0.00 0.00 174.94 174.25 3kob s ASP 144 N 0.92 6.79 -0.06 3.58 1.01 -1.00 -4.95 116.67 122.97 3kob s ASP 144 Ca -0.07 0.97 0.06 0.00 0.71 0.00 0.00 52.55 54.22 3kob s ASP 144 Cb -0.15 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 3kob s ASP 144 CO -0.02 -0.30 -0.24 -0.69 0.21 0.00 0.00 175.17 174.12 3kob s VAL 145 N 1.92 2.00 -0.45 -1.27 1.01 -1.26 -2.52 120.40 119.83 3kob s VAL 145 Ca 0.32 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3kob s VAL 145 Cb -0.16 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.60 3kob s VAL 145 CO 0.11 0.56 0.33 -0.89 0.00 0.00 0.00 175.10 175.21 3kob s THR 146 N -0.14 4.72 -0.26 3.92 2.01 -1.12 -5.06 115.64 119.71 3kob s THR 146 Ca -0.04 -1.26 -0.26 0.00 0.31 0.00 0.00 61.69 60.44 3kob s THR 146 Cb -0.14 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3kob s THR 146 CO 0.04 -0.56 0.91 0.20 -0.69 0.00 0.00 174.62 174.51 3kob s ASN 147 N 2.40 6.87 -0.57 3.53 0.01 -1.26 -1.13 114.94 124.80 3kob s ASN 147 Ca 0.04 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 53.04 3kob s ASN 147 Cb -0.24 -2.47 0.11 0.00 0.41 0.00 0.00 41.25 39.06 3kob s ASN 147 CO 0.04 -0.63 0.63 -0.62 -1.51 0.00 0.00 177.10 175.02 3kob s ASP 148 N 1.41 6.19 0.00 -1.22 2.15 -0.45 -4.50 116.67 120.24 3kob s ASP 148 Ca 0.38 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.88 3kob s ASP 148 Cb -0.14 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3kob s ASP 148 CO 0.09 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 3kob n GLY 149 N 5.26 2.65 3.99 2.66 0.00 -1.26 -3.18 105.19 115.31 3kob n GLY 149 Ca -0.11 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 1.41 -0.20 1.61 0.05 -1.26 -5.15 135.00 131.46 3kob s PRO 150 Ca 0.00 -1.06 -0.00 0.00 0.05 0.00 0.00 61.00 59.99 3kob s PRO 150 Cb 0.00 -2.24 0.05 0.00 0.05 0.00 0.00 34.50 32.36 3kob s PRO 150 CO 0.00 -1.68 -0.05 0.08 0.05 0.00 0.00 177.00 175.40 3kob s VAL 151 N -3.29 1.26 -0.09 -0.36 1.01 -1.19 -5.02 120.40 112.71 3kob s VAL 151 Ca 0.69 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3kob s VAL 151 Cb -0.04 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3kob s VAL 151 CO 0.46 0.00 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 3kob s THR 152 N 1.54 3.16 -0.02 3.92 2.01 -1.26 -1.85 115.64 123.14 3kob s THR 152 Ca -0.02 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3kob s THR 152 Cb -0.17 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3kob s THR 152 CO -0.07 0.56 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.76 3kob s ILE 153 N -0.19 0.28 -0.08 1.82 -1.09 -0.73 -5.00 121.20 116.22 3kob s ILE 153 Ca 0.00 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3kob s ILE 153 Cb -0.13 -0.31 -0.01 0.00 -1.58 0.00 0.00 42.46 40.43 3kob s ILE 153 CO 0.03 0.13 -0.23 -0.47 -1.23 0.00 0.00 174.94 173.17 3kob s TYR 154 N 0.55 2.52 -0.06 3.97 6.14 -1.26 -1.54 117.35 127.67 3kob s TYR 154 Ca -0.06 -0.79 -0.01 0.00 0.64 0.00 0.00 57.07 56.85 3kob s TYR 154 Cb -0.09 -1.65 0.03 0.00 0.42 0.00 0.00 41.96 40.66 3kob s TYR 154 CO -0.01 -0.26 0.00 0.42 0.64 0.00 0.00 175.55 176.34 3kob s ILE 155 N 0.01 0.32 -0.42 3.14 1.01 -0.86 -5.03 121.20 119.37 3kob s ILE 155 Ca -0.08 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3kob s ILE 155 Cb -0.15 -0.46 0.08 0.00 0.01 0.00 0.00 42.46 41.94 3kob s ILE 155 CO 0.05 0.23 0.25 -0.62 0.00 0.00 0.00 174.94 174.86 3kob s ASP 156 N 1.72 5.59 0.29 3.58 -1.08 -1.26 -1.55 116.67 123.97 3kob s ASP 156 Ca 0.01 -1.55 0.17 0.00 -0.52 0.00 0.00 52.55 50.65 3kob s ASP 156 Cb -0.13 -1.97 0.93 0.00 -1.46 0.00 0.00 42.92 40.30 3kob s ASP 156 CO -0.04 -0.54 1.48 0.35 0.52 0.00 0.00 175.17 176.95 3kob n THR 157 N 4.88 0.96 1.06 1.71 -2.24 0.68 -0.79 114.28 120.55 3kob n THR 157 Ca -0.09 0.72 0.02 0.00 -2.27 0.00 0.00 64.05 62.42 3kob n THR 157 Cb 0.43 -1.72 0.06 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.12 0.27 -0.48 4.78 8.25 -1.26 -3.05 115.22 121.61 3kob n HIS 158 Ca -0.01 -0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.42 3kob n HIS 158 Cb 0.13 -0.10 0.34 0.00 1.12 0.00 0.00 29.99 31.47 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 0.00 4.66 0.00 0.41 8.00 0.03 -5.09 116.55 124.56 3kob n ASP 159 Ca 0.04 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3kob n ASP 159 Cb 0.28 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3kob n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43