#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 1.27 -0.23 2.12 0.52 -0.01 -0.77 118.95 121.85 3kob s ARG 2 Ca 0.00 -1.57 -0.14 0.00 -0.52 0.00 0.00 55.73 53.50 3kob s ARG 2 Cb 0.00 -0.92 0.07 0.00 0.52 0.00 0.00 34.95 34.62 3kob s ARG 2 CO 0.00 0.11 0.56 0.54 0.02 0.00 0.00 175.30 176.53 3kob s VAL 3 N -3.13 -0.01 -0.09 3.52 0.11 -1.00 -0.80 120.40 119.00 3kob s VAL 3 Ca 0.22 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3kob s VAL 3 Cb 0.01 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 3kob s VAL 3 CO 0.06 0.01 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.13 3kob s VAL 4 N 1.31 4.15 -0.05 2.04 1.01 0.32 -2.48 120.40 126.70 3kob s VAL 4 Ca -0.08 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3kob s VAL 4 Cb -0.06 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3kob s VAL 4 CO -0.14 0.59 -0.16 -0.63 0.00 0.00 0.00 175.10 174.76 3kob s ILE 5 N -0.72 1.35 -0.05 2.22 1.01 -0.56 -0.10 121.20 124.36 3kob s ILE 5 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3kob s ILE 5 Cb -0.12 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.19 3kob s ILE 5 CO 0.02 0.39 -0.10 -1.10 0.00 0.00 0.00 174.94 174.15 3kob s GLN 6 N 0.13 1.36 0.00 2.79 -0.21 -0.25 -0.42 119.66 123.06 3kob s GLN 6 Ca -0.05 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.68 3kob s GLN 6 Cb -0.12 -1.19 -0.03 0.00 1.00 0.00 0.00 33.01 32.67 3kob s GLN 6 CO 0.02 0.05 1.04 0.50 -2.12 0.00 0.00 175.29 174.78 3kob s ARG 7 N 0.53 4.52 -0.04 2.91 3.52 -0.39 -1.92 118.95 128.08 3kob s ARG 7 Ca -0.10 1.50 0.01 0.00 -0.13 0.00 0.00 55.73 57.01 3kob s ARG 7 Cb -0.13 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3kob s ARG 7 CO 0.02 -0.13 -0.05 0.14 -0.81 0.00 0.00 175.30 174.47 3kob s VAL 8 N 1.13 0.56 -2.00 7.11 -7.23 -1.01 0.81 120.40 119.77 3kob s VAL 8 Ca 0.53 -0.15 0.18 0.00 -1.81 0.00 0.00 61.98 60.74 3kob s VAL 8 Cb -0.23 -0.57 0.53 0.00 0.56 0.00 0.00 36.38 36.66 3kob s VAL 8 CO 0.27 0.23 1.50 0.29 -0.31 0.00 0.00 175.10 177.08 3kob n LYS 9 N 3.96 0.58 0.00 4.82 4.76 0.16 -1.00 118.16 131.45 3kob n LYS 9 Ca -0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 3kob n LYS 9 Cb 0.51 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3kob n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kob n GLY 10 N 0.16 2.03 3.56 0.72 0.00 -1.22 -3.50 105.19 106.95 3kob n GLY 10 Ca 0.14 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.99 -1.65 -0.02 4.61 0.00 -0.16 -0.95 121.76 121.60 3kob s ALA 11 Ca 0.00 1.81 0.04 0.00 0.00 0.00 0.00 51.96 53.81 3kob s ALA 11 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3kob s ALA 11 CO 0.00 -0.32 -0.14 0.42 0.00 0.00 0.00 175.76 175.72 3kob s ILE 12 N 0.18 3.11 -0.10 0.00 1.01 0.32 -2.52 121.20 123.21 3kob s ILE 12 Ca -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3kob s ILE 12 Cb -0.04 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3kob s ILE 12 CO 0.02 0.51 -0.09 -0.22 0.00 0.00 0.00 174.94 175.15 3kob s LEU 13 N -0.99 1.37 0.05 2.97 0.20 -0.84 -0.91 118.68 120.53 3kob s LEU 13 Ca 0.13 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.71 3kob s LEU 13 Cb -0.11 -0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 3kob s LEU 13 CO 0.03 -0.06 -0.20 -0.44 -0.29 0.00 0.00 176.35 175.38 3kob s SER 14 N 1.33 2.41 0.46 3.68 0.01 0.23 0.60 113.70 122.41 3kob s SER 14 Ca -0.02 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.75 3kob s SER 14 Cb -0.14 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 3kob s SER 14 CO -0.04 0.13 0.09 0.68 0.41 0.00 0.00 173.24 174.51 3kob s VAL 15 N -0.86 1.75 -0.30 3.43 -7.23 -1.05 0.28 120.40 116.41 3kob s VAL 15 Ca 0.07 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.09 3kob s VAL 15 Cb -0.09 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3kob s VAL 15 CO 0.02 0.00 0.99 -0.13 -0.31 0.00 0.00 175.10 175.67 3kob s ARG 16 N -3.87 4.07 0.32 4.82 0.52 -1.25 -2.33 118.95 121.23 3kob s ARG 16 Ca 0.27 0.99 0.10 0.00 -0.52 0.00 0.00 55.73 56.57 3kob s ARG 16 Cb 0.04 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 3kob s ARG 16 CO 0.14 -0.79 -0.11 -0.51 0.02 0.00 0.00 175.30 174.06 3kob s LEU 27 N 3.37 2.74 -0.10 2.53 1.43 -1.26 -5.18 118.68 122.21 3kob s LEU 27 Ca 0.41 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.19 3kob s LEU 27 Cb -0.13 -1.10 0.05 0.00 0.03 0.00 0.00 46.19 45.04 3kob s LEU 27 CO 0.13 -0.13 0.53 -1.83 0.23 0.00 0.00 176.35 175.28 3kob s GLU 28 N -3.60 0.79 0.35 1.70 -1.05 -0.99 -5.15 118.70 110.75 3kob s GLU 28 Ca 0.32 0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 55.19 3kob s GLU 28 Cb -0.00 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 33.95 3kob s GLU 28 CO 0.17 -0.19 1.40 0.42 0.95 0.00 0.00 175.26 178.00 3kob s ILE 29 N -0.65 2.39 0.04 1.83 1.01 -1.26 -2.54 121.20 122.01 3kob s ILE 29 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3kob s ILE 29 Cb -0.03 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3kob s ILE 29 CO 0.05 0.09 0.00 2.30 0.00 0.00 0.00 174.94 177.38 3kob n ILE 30 N 0.69 0.06 -3.93 2.92 -6.64 0.20 -4.93 119.36 107.73 3kob n ILE 30 Ca 0.01 0.02 -0.21 0.00 -1.77 0.00 0.00 62.75 60.79 3kob n ILE 30 Cb 0.40 -0.82 -0.02 0.00 -1.44 0.00 0.00 39.64 37.76 3kob n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3kob s SER 31 N -5.05 6.32 -0.30 7.28 0.01 -1.06 -4.97 113.70 115.93 3kob s SER 31 Ca 0.00 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 3kob s SER 31 Cb 0.00 -1.87 0.15 0.00 0.21 0.00 0.00 66.02 64.51 3kob s SER 31 CO 0.00 -0.08 0.77 -0.70 0.41 0.00 0.00 173.24 173.64 3kob s GLU 32 N -3.96 0.46 0.21 12.44 2.12 -1.26 -1.98 118.70 126.73 3kob s GLU 32 Ca 0.34 1.09 0.09 0.00 0.36 0.00 0.00 54.97 56.85 3kob s GLU 32 Cb -0.09 0.64 -0.04 0.00 0.26 0.00 0.00 34.13 34.90 3kob s GLU 32 CO 0.29 -0.24 -0.07 0.96 -0.54 0.00 0.00 175.26 175.66 3kob s ILE 33 N 2.76 3.24 0.00 -3.70 -4.36 -1.05 -4.93 121.20 113.17 3kob s ILE 33 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3kob s ILE 33 Cb -0.11 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.95 3kob s ILE 33 CO -0.18 -0.21 0.00 0.29 0.24 0.00 0.00 174.94 175.08 3kob n LYS 34 N -0.29 3.15 -1.63 0.37 4.76 -1.26 -0.99 118.16 122.26 3kob n LYS 34 Ca -0.09 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.78 3kob n LYS 34 Cb 0.57 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.68 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 1.46 0.00 4.39 3.02 -1.23 -3.40 115.26 119.50 3kob n ASN 35 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 3kob n ASN 35 Cb 0.00 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 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 3.01 -0.57 2.81 7.41 0.00 -0.17 -3.48 105.19 114.21 3kob n GLY 36 Ca 0.23 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 1.44 -0.18 0.99 1.43 -0.76 -2.39 118.68 119.21 3kob s LEU 37 Ca 0.00 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 3kob s LEU 37 Cb 0.00 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 3kob s LEU 37 CO 0.00 -0.08 -0.00 -0.51 0.23 0.00 0.00 176.35 175.99 3kob s ILE 38 N 0.65 4.06 -0.20 -0.59 2.07 -0.81 -0.38 121.20 126.00 3kob s ILE 38 Ca -0.05 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 58.90 3kob s ILE 38 Cb -0.08 -2.82 0.05 0.00 0.13 0.00 0.00 42.46 39.74 3kob s ILE 38 CO -0.02 0.46 -0.07 0.00 -1.91 0.00 0.00 174.94 173.40 3kob s PHE 40 N 1.47 3.28 -0.34 0.00 0.08 0.85 -0.35 117.98 122.97 3kob s PHE 40 Ca -0.02 0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.59 3kob s PHE 40 Cb -0.17 -2.62 0.09 0.00 -0.57 0.00 0.00 43.02 39.75 3kob s PHE 40 CO -0.07 -0.20 0.06 -1.17 -0.10 0.00 0.00 175.22 173.74 3kob s LEU 41 N 1.99 4.64 -0.08 -0.37 0.20 -0.20 -0.53 118.68 124.34 3kob s LEU 41 Ca 0.18 -1.96 -0.30 0.00 0.69 0.00 0.00 54.13 52.75 3kob s LEU 41 Cb -0.15 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 3kob s LEU 41 CO 0.09 -0.38 1.02 -0.83 -0.29 0.00 0.00 176.35 175.96 3kob s GLY 42 N 1.17 2.47 -0.34 7.98 0.00 0.02 -2.68 107.32 115.94 3kob s GLY 42 Ca 0.06 0.44 -0.09 0.00 0.00 0.00 0.00 44.72 45.13 3kob s GLY 42 CO -0.06 1.89 0.16 -0.42 0.00 0.00 0.00 173.10 174.67 3kob s ILE 43 N 1.78 4.42 0.61 0.90 1.09 -1.26 -0.83 121.20 127.90 3kob s ILE 43 Ca 0.50 -0.72 -0.12 0.00 -1.10 0.00 0.00 60.65 59.20 3kob s ILE 43 Cb -0.19 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 3kob s ILE 43 CO 0.21 -0.09 1.03 -2.28 -0.10 0.00 0.00 174.94 173.70 3kob s HIS 44 N 1.55 3.48 0.17 3.97 2.46 -1.26 0.19 115.29 125.85 3kob s HIS 44 Ca 0.03 1.36 -0.08 0.00 0.47 0.00 0.00 55.06 56.83 3kob s HIS 44 Cb -0.18 -2.77 0.04 0.00 -0.13 0.00 0.00 32.58 29.54 3kob s HIS 44 CO 0.06 -0.73 1.54 1.57 -2.47 0.00 0.00 174.74 174.70 3kob h LYS 45 N -0.09 0.89 -0.42 2.88 -0.00 -1.70 -3.19 116.57 114.94 3kob h LYS 45 Ca -0.45 -0.42 0.00 0.00 -0.00 0.00 0.00 60.65 59.78 3kob h LYS 45 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 3kob h LYS 45 CO 0.61 1.07 0.00 0.09 -0.00 0.00 0.00 179.45 181.22 3kob n ASN 46 N -4.08 1.88 -4.76 7.07 3.02 -1.26 -4.79 115.26 112.34 3kob n ASN 46 Ca -0.01 -2.08 -0.40 0.00 -0.03 0.00 0.00 54.58 52.05 3kob n ASN 46 Cb 0.50 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.85 7.04 0.00 6.41 1.01 -1.21 -4.95 116.67 124.13 3kob s ASP 47 Ca 0.20 2.46 0.00 0.00 0.71 0.00 0.00 52.55 55.92 3kob s ASP 47 Cb 0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3kob s ASP 47 CO 0.12 -0.32 0.00 0.35 0.21 0.00 0.00 175.17 175.53 3kob n THR 48 N 1.04 0.00 1.09 -1.27 -2.24 -1.26 -4.95 114.28 106.68 3kob n THR 48 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3kob n THR 48 Cb 0.43 -0.66 0.48 0.00 -2.10 0.00 0.00 70.33 68.49 3kob n THR 48 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 3kob n TRP 49 N -0.36 0.00 0.00 4.78 -0.00 -1.26 -3.17 117.44 117.43 3kob n TRP 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3kob n TRP 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3kob n TRP 49 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3kob n GLU 50 N -0.97 0.00 -0.32 5.87 -0.58 -1.26 -3.18 120.64 120.20 3kob n GLU 50 Ca 0.12 0.37 0.21 0.00 -0.42 0.00 0.00 57.16 57.43 3kob n GLU 50 Cb 0.06 -0.93 0.40 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.01 -0.96 1.62 3.32 -1.94 0.65 116.42 119.10 3kob h ASP 51 Ca 0.00 0.24 0.25 0.00 0.02 0.00 0.00 57.03 57.54 3kob h ASP 51 Cb 0.00 0.33 -0.13 0.00 0.22 0.00 0.00 39.33 39.75 3kob h ASP 51 CO 0.00 -0.31 0.51 0.00 -1.72 0.00 0.00 179.24 177.72 3kob h ALA 52 N 1.93 1.67 0.20 3.45 0.00 -1.67 -1.33 119.26 123.52 3kob h ALA 52 Ca 0.68 0.15 -0.34 0.00 0.00 0.00 0.00 54.91 55.40 3kob h ALA 52 Cb 1.56 0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.46 3kob h ALA 52 CO -0.78 -0.34 -1.59 -0.07 0.00 0.00 0.00 179.25 176.47 3kob h LEU 53 N 0.47 0.68 -1.11 0.00 -0.00 0.33 0.57 115.31 116.24 3kob h LEU 53 Ca 0.63 -0.86 0.10 0.00 -0.00 0.00 0.00 57.88 57.75 3kob h LEU 53 Cb 1.23 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 41.60 3kob h LEU 53 CO -0.52 1.70 0.61 0.22 -0.00 0.00 0.00 178.44 180.45 3kob h TYR 54 N 0.12 1.06 0.00 1.13 3.20 -0.91 0.90 116.97 122.46 3kob h TYR 54 Ca -0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3kob h TYR 54 Cb 2.12 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 40.04 3kob h TYR 54 CO 0.11 0.48 0.00 -0.89 -1.64 0.00 0.00 178.16 176.22 3kob n ILE 55 N -4.55 0.00 -0.30 1.81 2.08 -0.54 -1.77 119.36 116.09 3kob n ILE 55 Ca 0.16 1.07 0.05 0.00 0.56 0.00 0.00 62.75 64.59 3kob n ILE 55 Cb 0.29 -2.00 0.11 0.00 -0.75 0.00 0.00 39.64 37.30 3kob n ILE 55 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kob n ILE 56 N -1.07 -0.35 0.11 1.39 5.41 0.19 -1.12 119.36 123.91 3kob n ILE 56 Ca 0.00 1.89 -0.05 0.00 1.00 0.00 0.00 62.75 65.59 3kob n ILE 56 Cb 0.00 -2.61 -0.02 0.00 -0.71 0.00 0.00 39.64 36.30 3kob n ILE 56 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kob h ARG 57 N 0.00 -0.28 0.00 0.38 3.08 0.72 -3.07 114.38 115.21 3kob h ARG 57 Ca 0.39 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3kob h ARG 57 Cb 0.59 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3kob h ARG 57 CO -0.85 -0.19 0.30 0.87 -1.07 0.00 0.00 179.97 179.04 3kob h LYS 58 N -0.29 0.00 0.00 0.04 1.79 -0.29 -2.67 116.57 115.16 3kob h LYS 58 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3kob h LYS 58 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3kob h LYS 58 CO 0.03 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.40 3kob h LEU 60 N 0.00 0.00 0.00 0.00 3.38 -1.47 -2.14 115.31 115.08 3kob h LEU 60 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kob h LEU 60 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kob h LEU 60 CO 0.00 0.00 -1.41 0.59 0.09 0.00 0.00 178.44 177.71 3kob n ASN 61 N -2.96 3.14 -4.66 -0.43 5.03 -1.16 -3.13 115.26 111.07 3kob n ASN 61 Ca 0.11 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.14 3kob n ASN 61 Cb 1.16 1.19 -0.03 0.00 -1.02 0.00 0.00 39.78 41.08 3kob n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kob s LEU 62 N -3.83 4.40 -1.20 3.41 1.43 -0.81 -4.66 118.68 117.41 3kob s LEU 62 Ca -0.03 2.57 -0.21 0.00 -1.03 0.00 0.00 54.13 55.42 3kob s LEU 62 Cb 0.04 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3kob s LEU 62 CO 0.33 -1.01 1.86 0.00 0.23 0.00 0.00 176.35 177.76 3kob s ARG 63 N 4.12 2.99 0.00 1.70 1.04 -1.26 -4.25 118.95 123.28 3kob s ARG 63 Ca 0.83 -1.39 0.14 0.00 -1.04 0.00 0.00 55.73 54.28 3kob s ARG 63 Cb -0.41 -5.33 -0.07 0.00 -2.04 0.00 0.00 34.95 27.10 3kob s ARG 63 CO 0.38 -3.38 0.71 1.28 -0.04 0.00 0.00 175.30 174.25 3kob n LEU 64 N 12.36 1.15 -4.81 -1.89 4.77 0.13 -2.80 117.00 125.90 3kob n LEU 64 Ca 0.46 -0.65 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 3kob n LEU 64 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3kob n LEU 64 CO 0.70 0.24 -0.22 0.26 -1.33 0.00 0.00 177.39 177.04 3kob s TRP 65 N -2.01 3.24 -1.02 -1.77 0.51 0.46 -4.82 118.94 113.53 3kob s TRP 65 Ca 0.09 0.07 -0.15 0.00 -2.12 0.00 0.00 56.10 53.99 3kob s TRP 65 Cb 0.11 -1.60 0.18 0.00 -0.81 0.00 0.00 33.47 31.35 3kob s TRP 65 CO 0.46 0.53 1.15 -0.80 -0.51 0.00 0.00 176.95 177.78 3kob s ASN 66 N -2.71 6.90 -0.20 2.95 0.02 -1.26 -0.32 114.94 120.33 3kob s ASN 66 Ca 0.31 -2.69 -0.28 0.00 -1.02 0.00 0.00 52.86 49.17 3kob s ASN 66 Cb -0.11 -2.34 -0.05 0.00 0.02 0.00 0.00 41.25 38.77 3kob s ASN 66 CO 0.24 -0.76 2.13 0.21 0.02 0.00 0.00 177.10 178.94 3kob s ASN 67 N 2.76 5.65 0.00 -1.22 3.04 -1.21 -4.81 114.94 119.15 3kob s ASN 67 Ca 0.33 1.93 0.00 0.00 0.04 0.00 0.00 52.86 55.15 3kob s ASN 67 Cb -0.06 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.14 3kob s ASN 67 CO -0.06 -1.80 0.00 -0.67 -3.04 0.00 0.00 177.10 171.53 3kob n ASP 68 N 10.93 0.00 0.00 -4.21 2.03 -1.26 -1.74 116.55 122.29 3kob n ASP 68 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 3kob n ASP 68 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 0.00 -4.76 1.67 2.85 -1.26 -4.97 115.26 108.78 3kob n ASN 69 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 3kob n ASN 69 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 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 0.00 4.23 1.30 1.20 1.02 -0.71 -5.08 119.74 121.70 3kob s LYS 70 Ca 0.00 0.51 -0.21 0.00 0.02 0.00 0.00 55.97 56.30 3kob s LYS 70 Cb 0.00 -3.35 0.32 0.00 -0.52 0.00 0.00 37.83 34.28 3kob s LYS 70 CO 0.00 0.36 1.03 0.95 -0.92 0.00 0.00 175.35 176.77 3kob s THR 71 N -0.07 1.42 0.00 2.17 -4.23 -1.26 -3.29 115.64 110.38 3kob s THR 71 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 3kob s THR 71 Cb -0.16 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3kob s THR 71 CO 0.13 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 175.00 3kob n TRP 72 N -5.17 0.00 0.01 3.99 7.02 -1.26 -4.77 117.44 117.27 3kob n TRP 72 Ca 0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.59 3kob n TRP 72 Cb 0.60 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.48 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 0.35 0.85 -4.82 -0.99 4.64 0.57 -4.72 116.55 112.43 3kob n ASP 73 Ca 0.00 0.12 -0.29 0.00 -1.38 0.00 0.00 54.79 53.23 3kob n ASP 73 Cb 0.00 -0.28 -0.06 0.00 -1.04 0.00 0.00 41.12 39.74 3kob n ASP 73 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3kob s LYS 74 N -2.10 3.02 0.03 -0.67 -0.14 -0.19 -4.69 119.74 115.01 3kob s LYS 74 Ca -0.04 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 3kob s LYS 74 Cb 0.01 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 3kob s LYS 74 CO 0.06 0.55 0.03 0.27 -0.76 0.00 0.00 175.35 175.50 3kob n ASN 75 N 0.20 0.99 -0.03 2.83 0.23 -1.26 0.20 115.26 118.41 3kob n ASN 75 Ca -0.08 -1.12 -0.15 0.00 -0.53 0.00 0.00 54.58 52.71 3kob n ASN 75 Cb 0.52 -0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 38.12 3kob n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3kob h VAL 76 N 0.45 1.43 -0.14 3.53 2.07 -1.80 -2.87 116.25 118.92 3kob h VAL 76 Ca -0.02 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 3kob h VAL 76 Cb 0.08 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3kob h VAL 76 CO 0.03 0.48 0.07 0.11 0.02 0.00 0.00 177.57 178.28 3kob h LYS 77 N -0.21 0.19 0.00 1.57 1.57 -1.86 0.19 116.57 118.02 3kob h LYS 77 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kob h LYS 77 Cb 0.91 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kob h LYS 77 CO 0.06 0.21 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 3kob n ASP 78 N -4.94 0.00 0.00 0.86 9.92 -1.09 -0.03 116.55 121.27 3kob n ASP 78 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3kob n ASP 78 Cb 0.07 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 3kob n ASP 78 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kob n LEU 79 N -0.59 0.00 -3.73 0.64 4.77 -1.18 -4.75 117.00 112.17 3kob n LEU 79 Ca 0.00 -0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.54 3kob n LEU 79 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3kob n LEU 79 CO 0.00 0.23 -0.08 0.59 -1.33 0.00 0.00 177.39 176.80 3kob n ASN 80 N 0.00 -1.16 -3.66 -1.43 4.13 0.96 -5.01 115.26 109.09 3kob n ASN 80 Ca 0.00 -0.83 -0.13 0.00 1.68 0.00 0.00 54.58 55.29 3kob n ASN 80 Cb 0.48 -3.97 0.06 0.00 -1.54 0.00 0.00 39.78 34.81 3kob n ASN 80 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3kob n TYR 81 N -4.29 -2.90 -4.25 3.10 4.01 0.63 -5.02 117.16 108.44 3kob n TYR 81 Ca -0.29 -1.17 -0.24 0.00 -0.16 0.00 0.00 57.90 56.04 3kob n TYR 81 Cb 0.68 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 3kob n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kob s GLU 82 N -3.90 2.21 -0.17 -0.72 2.02 -1.23 -4.77 118.70 112.14 3kob s GLU 82 Ca 0.40 -1.61 -0.05 0.00 0.02 0.00 0.00 54.97 53.73 3kob s GLU 82 Cb -0.03 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.21 3kob s GLU 82 CO 0.26 0.18 0.11 -0.51 0.02 0.00 0.00 175.26 175.32 3kob s LEU 83 N -3.74 0.27 -0.14 1.80 1.02 -0.74 -1.83 118.68 115.32 3kob s LEU 83 Ca 0.35 -0.54 -0.18 0.00 0.02 0.00 0.00 54.13 53.78 3kob s LEU 83 Cb -0.02 -0.15 -0.04 0.00 0.02 0.00 0.00 46.19 46.00 3kob s LEU 83 CO 0.20 -0.34 0.48 -0.22 0.02 0.00 0.00 176.35 176.49 3kob s LEU 84 N 2.17 4.24 -0.15 1.79 2.96 0.49 -3.34 118.68 126.83 3kob s LEU 84 Ca 0.03 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3kob s LEU 84 Cb -0.16 -2.68 0.02 0.00 0.50 0.00 0.00 46.19 43.87 3kob s LEU 84 CO -0.09 -0.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.06 3kob s ILE 85 N 0.89 1.98 -0.05 6.68 -1.09 -0.96 -0.53 121.20 128.12 3kob s ILE 85 Ca 0.25 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3kob s ILE 85 Cb -0.15 -1.77 -0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3kob s ILE 85 CO 0.10 0.53 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.47 3kob s VAL 86 N 1.07 1.48 0.20 2.92 1.01 0.52 -2.23 120.40 125.38 3kob s VAL 86 Ca -0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 3kob s VAL 86 Cb -0.14 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 3kob s VAL 86 CO -0.07 0.43 0.86 -0.55 0.00 0.00 0.00 175.10 175.77 3kob s SER 87 N 0.15 7.52 -0.43 3.32 0.15 -1.26 -1.03 113.70 122.10 3kob s SER 87 Ca -0.07 1.80 0.08 0.00 0.70 0.00 0.00 55.95 58.46 3kob s SER 87 Cb -0.13 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 61.91 3kob s SER 87 CO 0.03 0.18 0.82 0.00 1.20 0.00 0.00 173.24 175.47 3kob n GLN 88 N 1.52 0.86 0.00 5.44 1.13 -1.09 -4.86 117.38 120.39 3kob n GLN 88 Ca -0.04 -2.50 0.22 0.00 -1.94 0.00 0.00 57.00 52.75 3kob n GLN 88 Cb 0.48 -1.35 0.62 0.00 0.11 0.00 0.00 30.24 30.11 3kob n GLN 88 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3kob h PHE 89 N 3.55 0.00 0.00 1.08 -5.15 -1.93 0.23 116.94 114.72 3kob h PHE 89 Ca -0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.74 3kob h PHE 89 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.17 3kob h PHE 89 CO 0.27 0.00 0.00 1.79 -2.00 0.00 0.00 178.31 178.37 3kob h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.95 0.26 112.91 113.44 3kob h THR 90 Ca 0.29 -0.03 -0.09 0.00 -0.55 0.00 0.00 66.41 66.03 3kob h THR 90 Cb 1.75 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3kob h THR 90 CO -0.00 0.00 -0.41 -0.07 -0.25 0.00 0.00 175.52 174.79 3kob h LEU 91 N 0.00 0.00 -2.18 3.87 3.38 -0.93 0.58 115.31 120.03 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 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kob h LEU 91 CO 0.00 0.41 0.00 0.49 0.09 0.00 0.00 178.44 179.43 3kob n PHE 92 N -4.05 0.99 -2.26 1.13 3.72 0.91 -4.82 117.46 113.07 3kob n PHE 92 Ca -0.02 -0.36 -0.42 0.00 -0.05 0.00 0.00 57.45 56.61 3kob n PHE 92 Cb 0.44 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.52 0.80 0.13 1.37 0.00 0.19 -4.36 107.32 104.94 3kob s GLY 93 Ca 0.28 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 3kob s GLY 93 CO 0.10 2.97 1.04 0.21 0.00 0.00 0.00 173.10 177.42 3kob s ASN 94 N 5.20 7.36 -0.03 1.64 2.47 -0.15 -4.90 114.94 126.53 3kob s ASN 94 Ca 0.61 1.94 0.04 0.00 0.42 0.00 0.00 52.86 55.87 3kob s ASN 94 Cb -0.13 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 37.13 3kob s ASN 94 CO 0.27 -0.17 0.93 0.35 -3.72 0.00 0.00 177.10 174.76 3kob n THR 95 N 2.73 0.89 0.09 -5.21 -2.24 -1.26 -2.98 114.28 106.30 3kob n THR 95 Ca 0.03 -0.97 0.01 0.00 -2.27 0.00 0.00 64.05 60.86 3kob n THR 95 Cb 0.48 0.44 0.36 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.29 0.00 -0.78 1.57 -1.97 -3.26 116.57 112.42 3kob h LYS 96 Ca 0.00 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 3kob h LYS 96 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3kob h LYS 96 CO 0.00 0.43 -0.85 1.57 -0.57 0.00 0.00 179.45 180.04 3kob h LYS 97 N 0.27 0.00 0.00 3.15 2.10 -1.94 -3.49 116.57 116.67 3kob h LYS 97 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3kob h LYS 97 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3kob h LYS 97 CO 0.02 0.78 0.00 0.41 -2.00 0.00 0.00 179.45 178.66 3kob n GLY 98 N 1.31 -0.74 0.00 0.07 0.00 -1.23 -5.00 105.19 99.61 3kob n GLY 98 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.14 -4.53 1.61 3.02 -1.26 -4.79 115.26 109.46 3kob n ASN 99 Ca 0.00 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 3kob n ASN 99 Cb 0.00 0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 39.92 3kob n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kob s LYS 100 N -0.81 3.34 0.42 3.52 2.20 -1.26 -5.06 119.74 122.09 3kob s LYS 100 Ca 0.00 -0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.04 3kob s LYS 100 Cb 0.00 -3.93 -0.10 0.00 -1.51 0.00 0.00 37.83 32.29 3kob s LYS 100 CO 0.00 -0.97 1.41 -0.35 -0.36 0.00 0.00 175.35 175.08 3kob n PRO 101 N 6.25 2.31 -4.56 4.03 -0.04 -1.26 -4.95 135.00 136.77 3kob n PRO 101 Ca -0.01 0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 63.95 3kob n PRO 101 Cb 0.48 -2.58 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 3kob n PRO 101 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3kob s ASP 102 N -0.37 4.13 -0.31 3.54 1.47 -1.16 -4.96 116.67 119.01 3kob s ASP 102 Ca 0.58 -0.32 0.12 0.00 1.18 0.00 0.00 52.55 54.11 3kob s ASP 102 Cb -0.47 -0.79 0.47 0.00 -0.34 0.00 0.00 42.92 41.78 3kob s ASP 102 CO 0.60 0.26 1.14 0.49 0.68 0.00 0.00 175.17 178.33 3kob n PHE 103 N 1.50 2.32 0.29 2.11 3.72 -1.26 -0.98 117.46 125.15 3kob n PHE 103 Ca -0.16 -2.38 0.18 0.00 -0.05 0.00 0.00 57.45 55.04 3kob n PHE 103 Cb 0.52 -0.27 0.75 0.00 -0.94 0.00 0.00 39.48 39.54 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 2.42 0.00 -0.02 1.38 3.86 -1.97 -2.34 115.15 118.48 3kob h HIS 104 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3kob h HIS 104 Cb 1.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.82 3kob h HIS 104 CO 0.72 0.00 -0.12 1.28 0.86 0.00 0.00 177.93 180.68 3kob n LEU 105 N -3.03 1.96 -4.82 2.43 4.32 -1.26 -4.94 117.00 111.65 3kob n LEU 105 Ca 0.00 -0.65 -0.29 0.00 -0.02 0.00 0.00 56.01 55.05 3kob n LEU 105 Cb 0.27 -0.02 0.15 0.00 -1.62 0.00 0.00 43.42 42.20 3kob n LEU 105 CO 0.26 0.34 0.76 0.00 -1.22 0.00 0.00 177.39 177.52 3kob s ALA 106 N -2.16 1.90 0.24 -1.18 0.00 -0.88 -3.72 121.76 115.96 3kob s ALA 106 Ca 0.30 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 3kob s ALA 106 Cb 0.20 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 3kob s ALA 106 CO 0.39 -2.37 0.84 0.21 0.00 0.00 0.00 175.76 174.84 3kob s LYS 107 N -5.49 4.54 -0.03 0.00 2.20 0.13 -4.05 119.74 117.03 3kob s LYS 107 Ca 0.67 1.19 -0.36 0.00 -0.36 0.00 0.00 55.97 57.11 3kob s LYS 107 Cb -0.11 -3.03 -0.14 0.00 -1.51 0.00 0.00 37.83 33.04 3kob s LYS 107 CO 0.53 0.43 1.66 -1.91 -0.36 0.00 0.00 175.35 175.70 3kob n GLU 108 N 1.05 1.72 -0.54 4.03 0.00 -1.26 -4.84 120.64 120.79 3kob n GLU 108 Ca -0.02 0.62 0.44 0.00 0.00 0.00 0.00 57.16 58.20 3kob n GLU 108 Cb 0.49 -2.37 0.74 0.00 0.00 0.00 0.00 31.44 30.30 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 6.93 0.04 0.02 5.31 0.11 -1.99 -1.80 132.00 140.63 3kob h PRO 109 Ca -0.47 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.34 3kob h PRO 109 Cb 1.29 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3kob h PRO 109 CO 0.90 0.02 -1.62 0.09 -0.21 0.00 0.00 178.00 177.18 3kob n ASN 110 N -4.32 1.93 0.03 -2.05 5.03 -1.26 -1.75 115.26 112.87 3kob n ASN 110 Ca 0.39 0.35 0.05 0.00 0.87 0.00 0.00 54.58 56.24 3kob n ASN 110 Cb 1.66 -0.91 0.24 0.00 -1.02 0.00 0.00 39.78 39.74 3kob n ASN 110 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kob n GLU 111 N -4.18 0.04 0.01 3.52 1.02 -1.10 -0.39 120.64 119.56 3kob n GLU 111 Ca -0.36 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 3kob n GLU 111 Cb 0.79 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.47 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 2.20 -0.02 -0.49 0.62 0.00 -1.40 -3.32 119.26 116.86 3kob h ALA 112 Ca 0.00 -0.73 0.10 0.00 0.00 0.00 0.00 54.91 54.27 3kob h ALA 112 Cb 0.13 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 3kob h ALA 112 CO 0.00 0.38 -0.14 1.25 0.00 0.00 0.00 179.25 180.74 3kob h LEU 113 N -0.52 -0.50 -0.03 0.00 5.85 0.13 0.21 115.31 120.45 3kob h LEU 113 Ca -0.15 0.15 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 3kob h LEU 113 Cb 1.52 0.32 0.01 0.00 0.37 0.00 0.00 40.66 42.88 3kob h LEU 113 CO 0.09 -0.18 -1.07 0.40 -0.34 0.00 0.00 178.44 177.35 3kob h ILE 114 N -0.02 1.35 -0.23 4.05 2.04 -1.77 -1.83 117.51 121.10 3kob h ILE 114 Ca 0.23 -2.47 0.03 0.00 1.00 0.00 0.00 64.86 63.66 3kob h ILE 114 Cb 0.38 2.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.93 3kob h ILE 114 CO -0.51 0.74 -0.43 0.15 0.00 0.00 0.00 178.15 178.10 3kob h PHE 115 N 0.26 -1.31 -0.64 1.37 -0.00 -1.44 0.68 116.94 115.87 3kob h PHE 115 Ca -0.12 0.06 0.13 0.00 -0.00 0.00 0.00 57.97 58.03 3kob h PHE 115 Cb 1.73 0.60 -0.12 0.00 -0.00 0.00 0.00 35.95 38.16 3kob h PHE 115 CO 0.08 -0.40 -0.15 -0.92 -0.00 0.00 0.00 178.31 176.92 3kob h TYR 116 N -0.37 -0.32 -0.60 0.41 5.03 -0.65 0.38 116.97 120.86 3kob h TYR 116 Ca 0.04 0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.47 3kob h TYR 116 Cb 0.49 0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.96 3kob h TYR 116 CO -0.64 -0.27 0.30 -0.91 -1.32 0.00 0.00 178.16 175.32 3kob h ASN 117 N 0.00 0.41 0.68 -2.11 2.35 -0.34 0.15 115.58 116.72 3kob h ASN 117 Ca 0.31 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 3kob h ASN 117 Cb 0.47 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3kob h ASN 117 CO -0.65 0.27 -0.42 0.11 -1.65 0.00 0.00 177.43 175.09 3kob h LYS 118 N 0.55 0.00 -0.29 0.81 1.57 0.14 -0.22 116.57 119.14 3kob h LYS 118 Ca 0.27 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 3kob h LYS 118 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kob h LYS 118 CO -0.20 0.42 -0.49 0.82 -0.57 0.00 0.00 179.45 179.43 3kob h ILE 119 N 0.00 1.29 -0.41 1.86 2.04 0.81 -1.64 117.51 121.46 3kob h ILE 119 Ca -0.00 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 3kob h ILE 119 Cb 0.87 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3kob h ILE 119 CO 0.05 0.54 0.11 0.40 0.00 0.00 0.00 178.15 179.26 3kob h ILE 120 N 0.62 1.23 -0.31 -0.67 1.08 -0.45 -1.56 117.51 117.44 3kob h ILE 120 Ca 0.03 -0.77 0.07 0.00 -0.39 0.00 0.00 64.86 63.79 3kob h ILE 120 Cb 1.07 0.95 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 3kob h ILE 120 CO 0.11 0.27 -0.15 0.44 -0.69 0.00 0.00 178.15 178.12 3kob h ASP 121 N 0.52 -0.52 -0.44 1.72 3.32 -0.83 -0.48 116.42 119.71 3kob h ASP 121 Ca 0.13 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3kob h ASP 121 Cb 0.30 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3kob h ASP 121 CO 0.00 -0.19 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.21 3kob h GLU 122 N -0.11 0.88 -0.56 3.56 4.57 -1.27 -1.64 114.58 120.01 3kob h GLU 122 Ca 0.16 -0.27 0.12 0.00 -1.18 0.00 0.00 59.36 58.18 3kob h GLU 122 Cb 0.35 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3kob h GLU 122 CO -0.38 0.90 0.38 0.74 -1.18 0.00 0.00 179.01 179.48 3kob h PHE 123 N 0.81 0.28 0.06 0.92 0.04 -0.55 0.17 116.94 118.66 3kob h PHE 123 Ca 0.14 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 3kob h PHE 123 Cb 0.54 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.62 3kob h PHE 123 CO 0.03 0.13 -0.64 0.87 -0.60 0.00 0.00 178.31 178.10 3kob h LYS 124 N 0.26 0.33 0.00 1.51 1.57 -0.33 -3.03 116.57 116.88 3kob h LYS 124 Ca 0.26 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3kob h LYS 124 Cb 0.70 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3kob h LYS 124 CO -0.06 1.14 -0.21 0.87 -0.57 0.00 0.00 179.45 180.63 3kob h LYS 125 N -0.28 0.00 0.00 3.15 1.79 -0.68 0.11 116.57 120.66 3kob h LYS 125 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3kob h LYS 125 Cb 1.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 3kob h LYS 125 CO 0.12 0.21 -0.72 1.96 -1.08 0.00 0.00 179.45 179.94 3kob h GLN 126 N 0.00 0.00 0.00 3.15 4.20 -0.76 -3.44 115.11 118.26 3kob h GLN 126 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kob h GLN 126 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3kob h GLN 126 CO 0.03 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.17 3kob n TYR 127 N -2.17 -0.45 0.00 2.96 9.36 -1.10 -5.08 117.16 120.68 3kob n TYR 127 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3kob n TYR 127 Cb 0.45 0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 3kob n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kob n ASN 128 N -2.09 0.00 0.08 2.98 2.85 0.36 -4.97 115.26 114.46 3kob n ASN 128 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 3kob n ASN 128 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 3kob n ASN 128 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3kob h ASP 129 N 0.00 0.37 0.00 1.20 -0.00 -1.90 -3.35 116.42 112.75 3kob h ASP 129 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 3kob h ASP 129 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.21 3kob h ASP 129 CO 0.00 1.37 0.00 0.47 -0.00 0.00 0.00 179.24 181.08 3kob n ASP 130 N -3.47 0.00 -0.00 4.15 9.92 -1.26 -3.32 116.55 122.57 3kob n ASP 130 Ca -0.12 -0.57 0.01 0.00 -0.53 0.00 0.00 54.79 53.57 3kob n ASP 130 Cb 1.03 -0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.50 3kob n ASP 130 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3kob n LYS 131 N -1.00 1.70 -3.37 -1.24 4.76 -1.26 -4.96 118.16 112.79 3kob n LYS 131 Ca 0.14 -0.01 -0.46 0.00 -2.87 0.00 0.00 58.31 55.11 3kob n LYS 131 Cb 0.06 -0.91 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 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 -1.84 5.37 0.34 -0.18 -1.09 -1.21 -1.79 121.20 120.81 3kob s ILE 132 Ca -0.00 -2.43 -0.25 0.00 -2.23 0.00 0.00 60.65 55.74 3kob s ILE 132 Cb 0.01 -4.34 -0.10 0.00 -1.58 0.00 0.00 42.46 36.44 3kob s ILE 132 CO 0.05 -1.00 0.94 -0.54 -1.23 0.00 0.00 174.94 173.16 3kob s LYS 133 N 0.28 4.49 0.10 2.79 -0.14 -1.21 -5.01 119.74 121.03 3kob s LYS 133 Ca 0.16 1.26 0.06 0.00 -1.36 0.00 0.00 55.97 56.09 3kob s LYS 133 Cb -0.13 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 3kob s LYS 133 CO -0.07 0.21 -0.04 0.96 -0.76 0.00 0.00 175.35 175.65 3kob s ILE 134 N -1.75 3.75 0.57 2.17 -4.36 -1.26 -2.26 121.20 118.06 3kob s ILE 134 Ca 0.53 -1.11 -0.08 0.00 -0.26 0.00 0.00 60.65 59.73 3kob s ILE 134 Cb -0.16 -2.78 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 3kob s ILE 134 CO 0.21 0.11 0.92 -0.83 0.24 0.00 0.00 174.94 175.59 3kob s GLY 135 N -2.28 1.58 -0.46 6.27 0.00 -0.95 -4.80 107.32 106.69 3kob s GLY 135 Ca 0.24 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 3kob s GLY 135 CO 0.17 -0.12 0.35 0.54 0.00 0.00 0.00 173.10 174.03 3kob s LYS 136 N -4.99 2.84 0.08 2.90 -0.14 -1.26 -4.91 119.74 114.25 3kob s LYS 136 Ca 0.52 -1.41 -0.31 0.00 -1.36 0.00 0.00 55.97 53.41 3kob s LYS 136 Cb -0.11 -4.01 -0.14 0.00 -1.68 0.00 0.00 37.83 31.89 3kob s LYS 136 CO 0.49 -1.01 1.49 0.35 -0.76 0.00 0.00 175.35 175.90 3kob h PHE 137 N 8.63 -1.28 -0.70 3.18 3.57 -1.96 -3.23 116.94 125.15 3kob h PHE 137 Ca -0.26 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.34 3kob h PHE 137 Cb 1.10 0.52 -0.07 0.00 2.79 0.00 0.00 35.95 40.29 3kob h PHE 137 CO 0.63 -0.56 0.36 0.78 -2.23 0.00 0.00 178.31 177.29 3kob h GLY 138 N -0.79 1.04 -4.63 2.40 0.00 -1.99 -3.45 103.07 95.65 3kob h GLY 138 Ca -0.03 -0.23 -0.67 0.00 0.00 0.00 0.00 47.33 46.39 3kob h GLY 138 CO -0.14 0.09 -0.72 0.54 0.00 0.00 0.00 176.54 176.30 3kob s ASN 139 N -5.53 4.47 -0.30 0.19 4.22 -1.22 -5.06 114.94 111.71 3kob s ASN 139 Ca -0.13 -0.23 -0.33 0.00 -2.14 0.00 0.00 52.86 50.03 3kob s ASN 139 Cb 0.17 -0.97 -0.15 0.00 1.28 0.00 0.00 41.25 41.59 3kob s ASN 139 CO 0.76 0.26 1.10 0.00 -2.04 0.00 0.00 177.10 177.18 3kob n TYR 140 N 1.38 1.13 -4.07 1.54 9.36 -1.26 -4.85 117.16 120.39 3kob n TYR 140 Ca -0.15 0.83 -0.31 0.00 3.32 0.00 0.00 57.90 61.59 3kob n TYR 140 Cb 0.52 -1.61 -0.07 0.00 -0.63 0.00 0.00 39.34 37.55 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 1.78 2.86 -0.17 2.98 -1.94 -1.26 -3.75 119.30 119.80 3kob s MET 141 Ca 0.75 -0.69 0.01 0.00 -1.71 0.00 0.00 55.69 54.05 3kob s MET 141 Cb -1.07 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 33.08 3kob s MET 141 CO 0.57 0.57 -0.20 1.21 -0.01 0.00 0.00 175.02 177.16 3kob s ASN 142 N -2.32 3.09 -0.22 3.03 2.47 0.79 -4.96 114.94 116.83 3kob s ASN 142 Ca 0.28 -0.63 0.01 0.00 0.42 0.00 0.00 52.86 52.94 3kob s ASN 142 Cb -0.12 -1.45 0.05 0.00 -1.45 0.00 0.00 41.25 38.28 3kob s ASN 142 CO 0.21 0.00 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.86 3kob s ILE 143 N 1.27 1.76 -0.29 -5.21 1.01 -1.26 0.75 121.20 119.23 3kob s ILE 143 Ca 0.04 -1.16 -0.27 0.00 0.00 0.00 0.00 60.65 59.25 3kob s ILE 143 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3kob s ILE 143 CO -0.12 0.11 0.98 -1.81 0.00 0.00 0.00 174.94 174.10 3kob s ASP 144 N 1.33 6.90 -0.22 3.58 1.01 -0.09 -4.96 116.67 124.22 3kob s ASP 144 Ca -0.03 1.04 0.02 0.00 0.71 0.00 0.00 52.55 54.29 3kob s ASP 144 Cb -0.17 -2.50 0.04 0.00 1.01 0.00 0.00 42.92 41.30 3kob s ASP 144 CO -0.08 -0.74 -0.13 -0.69 0.21 0.00 0.00 175.17 173.74 3kob s VAL 145 N 3.33 2.01 -1.04 -1.27 1.01 -1.26 -0.52 120.40 122.66 3kob s VAL 145 Ca 0.41 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 3kob s VAL 145 Cb -0.14 -2.02 0.15 0.00 0.00 0.00 0.00 36.38 34.37 3kob s VAL 145 CO 0.12 0.18 1.24 -0.89 0.00 0.00 0.00 175.10 175.76 3kob s THR 146 N 1.23 4.87 0.07 3.92 2.01 -0.12 -5.00 115.64 122.61 3kob s THR 146 Ca -0.03 -2.02 -0.30 0.00 0.31 0.00 0.00 61.69 59.65 3kob s THR 146 Cb -0.17 -4.83 -0.09 0.00 0.01 0.00 0.00 72.50 67.42 3kob s THR 146 CO -0.08 -1.54 1.84 0.20 -0.69 0.00 0.00 174.62 174.34 3kob s ASN 147 N 3.28 6.48 -0.38 3.53 0.01 -1.26 0.40 114.94 127.00 3kob s ASN 147 Ca 0.36 2.64 -0.11 0.00 -0.71 0.00 0.00 52.86 55.04 3kob s ASN 147 Cb -0.04 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.10 3kob s ASN 147 CO -0.06 -1.00 0.22 -0.62 -1.51 0.00 0.00 177.10 174.13 3kob s ASP 148 N 3.35 5.76 0.00 -1.22 2.15 0.24 -4.69 116.67 122.26 3kob s ASP 148 Ca 0.82 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.76 3kob s ASP 148 Cb -0.43 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3kob s ASP 148 CO 0.37 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 3kob n GLY 149 N 5.00 2.20 0.65 2.66 0.00 -1.26 -2.93 105.19 111.51 3kob n GLY 149 Ca -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 3kob n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kob n PRO 150 N 0.00 0.10 -3.67 1.61 -0.05 -1.26 -5.17 135.00 126.55 3kob n PRO 150 Ca 0.00 -0.39 -0.13 0.00 -0.05 0.00 0.00 63.50 62.92 3kob n PRO 150 Cb 0.00 -0.18 -0.13 0.00 -0.05 0.00 0.00 33.50 33.14 3kob n PRO 150 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3kob s VAL 151 N -0.97 -0.38 -0.17 0.52 1.01 -1.15 -4.96 120.40 114.30 3kob s VAL 151 Ca 0.12 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 3kob s VAL 151 Cb -0.00 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.98 3kob s VAL 151 CO 0.08 0.11 -0.08 -0.89 0.00 0.00 0.00 175.10 174.33 3kob s THR 152 N 2.32 1.31 -0.13 3.92 2.01 -1.25 -1.26 115.64 122.55 3kob s THR 152 Ca 0.00 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3kob s THR 152 Cb -0.12 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 3kob s THR 152 CO -0.08 0.20 0.00 -0.63 -0.69 0.00 0.00 174.62 173.41 3kob s ILE 153 N 1.55 4.28 -0.11 1.82 -1.09 0.43 -4.92 121.20 123.16 3kob s ILE 153 Ca 0.01 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 3kob s ILE 153 Cb -0.15 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3kob s ILE 153 CO -0.08 0.54 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.49 3kob s TYR 154 N -0.18 2.65 -0.01 3.97 6.14 -1.26 -1.49 117.35 127.16 3kob s TYR 154 Ca 0.05 -0.90 0.03 0.00 0.64 0.00 0.00 57.07 56.89 3kob s TYR 154 Cb -0.13 -1.76 -0.00 0.00 0.42 0.00 0.00 41.96 40.49 3kob s TYR 154 CO 0.02 -0.34 -0.09 0.42 0.64 0.00 0.00 175.55 176.20 3kob s ILE 155 N 0.34 0.74 -0.36 3.14 1.01 -1.03 -5.03 121.20 120.01 3kob s ILE 155 Ca -0.16 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3kob s ILE 155 Cb -0.17 -0.63 0.11 0.00 0.01 0.00 0.00 42.46 41.77 3kob s ILE 155 CO 0.08 0.22 0.10 -0.62 0.00 0.00 0.00 174.94 174.71 3kob s ASP 156 N -0.04 4.47 0.60 3.58 2.15 -1.26 -2.37 116.67 123.79 3kob s ASP 156 Ca 0.01 -2.15 0.31 0.00 0.43 0.00 0.00 52.55 51.15 3kob s ASP 156 Cb -0.06 -1.40 1.08 0.00 -0.30 0.00 0.00 42.92 42.24 3kob s ASP 156 CO -0.00 -0.37 1.37 0.71 -0.17 0.00 0.00 175.17 176.72 3kob h THR 157 N 6.38 0.02 -0.13 1.71 1.35 -1.33 -0.03 112.91 120.88 3kob h THR 157 Ca -0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.65 3kob h THR 157 Cb 1.00 0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.40 3kob h THR 157 CO 0.52 0.00 -0.08 1.41 -0.25 0.00 0.00 175.52 177.13 3kob n HIS 158 N -3.39 0.29 -0.06 4.73 8.25 -1.26 -4.88 115.22 118.89 3kob n HIS 158 Ca 0.26 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 3kob n HIS 158 Cb 1.58 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3kob n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73