#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 0.47 0.23 2.12 0.52 -0.90 -0.07 118.95 121.32 3kob s ARG 2 Ca 0.00 -0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.12 3kob s ARG 2 Cb 0.00 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 3kob s ARG 2 CO 0.00 0.10 -0.17 0.54 0.02 0.00 0.00 175.30 175.79 3kob s VAL 3 N -0.02 2.05 -0.07 3.52 0.11 -1.04 -1.05 120.40 123.91 3kob s VAL 3 Ca 0.01 -2.27 0.02 0.00 -2.93 0.00 0.00 61.98 56.81 3kob s VAL 3 Cb -0.03 -2.13 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 3kob s VAL 3 CO -0.00 -0.49 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.45 3kob s VAL 4 N -2.70 1.22 -0.08 2.04 1.01 0.38 -2.46 120.40 119.81 3kob s VAL 4 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3kob s VAL 4 Cb -0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3kob s VAL 4 CO 0.10 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 3kob s ILE 5 N 0.62 3.66 -0.05 2.22 -1.09 -0.24 0.12 121.20 126.44 3kob s ILE 5 Ca -0.15 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 3kob s ILE 5 Cb -0.16 -2.50 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3kob s ILE 5 CO 0.04 0.58 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.20 3kob s GLN 6 N -0.63 0.83 -0.23 2.79 -0.21 -0.03 -2.50 119.66 119.68 3kob s GLN 6 Ca 0.10 -0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.10 3kob s GLN 6 Cb -0.12 -0.88 -0.02 0.00 1.00 0.00 0.00 33.01 33.00 3kob s GLN 6 CO 0.02 -0.11 1.46 0.50 -2.12 0.00 0.00 175.29 175.04 3kob s ARG 7 N 1.06 3.93 0.31 2.91 3.52 -0.93 -0.61 118.95 129.14 3kob s ARG 7 Ca -0.09 1.56 0.08 0.00 -0.13 0.00 0.00 55.73 57.15 3kob s ARG 7 Cb -0.14 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3kob s ARG 7 CO -0.01 -1.12 0.18 0.14 -0.81 0.00 0.00 175.30 173.68 3kob s VAL 8 N 4.59 3.48 -0.36 7.11 -7.23 0.05 0.15 120.40 128.18 3kob s VAL 8 Ca 0.64 -1.57 0.18 0.00 -1.81 0.00 0.00 61.98 59.42 3kob s VAL 8 Cb -0.22 -3.10 -0.25 0.00 0.56 0.00 0.00 36.38 33.37 3kob s VAL 8 CO 0.25 -0.23 0.55 0.29 -0.31 0.00 0.00 175.10 175.65 3kob n LYS 9 N -1.19 0.78 0.00 4.82 5.02 -0.94 -3.04 118.16 123.60 3kob n LYS 9 Ca -0.04 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3kob n LYS 9 Cb 0.60 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3kob n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kob n GLY 10 N 1.44 0.95 3.28 0.72 0.00 -1.15 -1.88 105.19 108.55 3kob n GLY 10 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.10 -0.15 4.61 0.00 0.73 -2.49 121.76 121.35 3kob s ALA 11 Ca 0.00 1.55 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 3kob s ALA 11 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3kob s ALA 11 CO 0.00 -0.39 -0.03 0.42 0.00 0.00 0.00 175.76 175.75 3kob s ILE 12 N 1.72 3.96 -0.07 0.00 1.01 -0.80 -1.40 121.20 125.63 3kob s ILE 12 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3kob s ILE 12 Cb -0.09 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.67 3kob s ILE 12 CO -0.13 0.50 -0.08 -0.22 0.00 0.00 0.00 174.94 175.01 3kob s LEU 13 N 0.25 1.40 0.00 2.97 0.20 -1.01 0.38 118.68 122.86 3kob s LEU 13 Ca -0.02 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3kob s LEU 13 Cb -0.14 -0.68 0.00 0.00 -0.43 0.00 0.00 46.19 44.95 3kob s LEU 13 CO 0.03 -0.04 0.03 -1.20 -0.29 0.00 0.00 176.35 174.88 3kob n SER 14 N 4.16 2.58 0.00 3.68 7.64 0.57 -1.28 113.62 130.98 3kob n SER 14 Ca -0.21 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.57 3kob n SER 14 Cb 0.51 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3kob n SER 14 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kob n VAL 15 N -0.72 0.00 -3.74 0.44 0.24 -1.26 -3.56 118.33 109.73 3kob n VAL 15 Ca -0.09 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.34 61.84 3kob n VAL 15 Cb 0.32 0.99 -0.12 0.00 -1.47 0.00 0.00 33.84 33.56 3kob n VAL 15 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3kob s LEU 27 N -0.03 3.49 -0.28 1.34 2.34 -1.26 -4.87 118.68 119.41 3kob s LEU 27 Ca 0.00 -0.20 0.01 0.00 0.06 0.00 0.00 54.13 54.00 3kob s LEU 27 Cb 0.00 -1.94 0.05 0.00 -0.56 0.00 0.00 46.19 43.75 3kob s LEU 27 CO 0.00 -0.04 -0.06 -0.70 -1.06 0.00 0.00 176.35 174.50 3kob s GLU 28 N 1.63 2.34 0.24 1.48 2.12 -1.26 -5.10 118.70 120.14 3kob s GLU 28 Ca 0.06 -1.30 -0.31 0.00 0.36 0.00 0.00 54.97 53.78 3kob s GLU 28 Cb -0.15 -3.04 -0.12 0.00 0.26 0.00 0.00 34.13 31.08 3kob s GLU 28 CO 0.04 -0.59 1.64 0.44 -0.54 0.00 0.00 175.26 176.25 3kob n ILE 29 N 4.53 0.46 0.00 -3.70 -5.35 -1.26 -4.13 119.36 109.90 3kob n ILE 29 Ca -0.14 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3kob n ILE 29 Cb 0.43 -1.89 0.00 0.00 -1.74 0.00 0.00 39.64 36.44 3kob n ILE 29 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 3kob n ILE 30 N 3.06 0.00 -4.33 7.28 -5.35 -0.40 -4.98 119.36 114.64 3kob n ILE 30 Ca 0.13 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.40 3kob n ILE 30 Cb 0.35 -0.14 -0.13 0.00 -1.74 0.00 0.00 39.64 37.98 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 -1.24 1.94 -0.20 7.28 0.01 -1.23 -5.05 113.70 115.22 3kob s SER 31 Ca 0.00 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 3kob s SER 31 Cb 0.00 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.20 3kob s SER 31 CO 0.00 0.02 0.43 -0.70 0.41 0.00 0.00 173.24 173.41 3kob s GLU 32 N -1.46 0.36 0.20 12.44 2.12 -1.26 -2.42 118.70 128.69 3kob s GLU 32 Ca 0.02 0.98 0.10 0.00 0.36 0.00 0.00 54.97 56.44 3kob s GLU 32 Cb -0.09 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 3kob s GLU 32 CO 0.02 -0.22 -0.21 0.96 -0.54 0.00 0.00 175.26 175.28 3kob s ILE 33 N 2.22 2.16 0.00 -3.70 -4.36 -0.49 -5.00 121.20 112.03 3kob s ILE 33 Ca -0.04 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 3kob s ILE 33 Cb -0.11 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3kob s ILE 33 CO -0.13 -0.28 0.00 0.29 0.24 0.00 0.00 174.94 175.06 3kob n LYS 34 N 0.02 0.25 -1.78 0.37 4.76 -1.26 -0.19 118.16 120.33 3kob n LYS 34 Ca -0.11 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.94 3kob n LYS 34 Cb 0.58 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.79 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 -0.91 5.82 0.00 4.39 0.01 -0.79 -2.95 114.94 120.51 3kob s ASN 35 Ca 0.00 2.94 0.00 0.00 -0.71 0.00 0.00 52.86 55.09 3kob s ASN 35 Cb 0.00 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3kob s ASN 35 CO 0.00 -1.22 0.00 0.61 -1.51 0.00 0.00 177.10 174.98 3kob n GLY 36 N 0.58 0.21 3.23 0.66 0.00 -1.17 -1.85 105.19 106.85 3kob n GLY 36 Ca 0.05 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 2.02 0.16 0.99 1.43 -0.69 -0.77 118.68 121.82 3kob s LEU 37 Ca 0.00 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 3kob s LEU 37 Cb 0.00 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 3kob s LEU 37 CO 0.00 0.24 0.58 -0.51 0.23 0.00 0.00 176.35 176.89 3kob s ILE 38 N -0.29 4.81 -0.15 -0.59 2.07 0.22 0.19 121.20 127.46 3kob s ILE 38 Ca 0.02 0.89 -0.01 0.00 -1.41 0.00 0.00 60.65 60.14 3kob s ILE 38 Cb -0.11 -3.75 0.04 0.00 0.13 0.00 0.00 42.46 38.77 3kob s ILE 38 CO 0.01 0.23 -0.04 0.00 -1.91 0.00 0.00 174.94 173.23 3kob s PHE 40 N 1.72 3.23 -0.04 0.00 0.08 0.12 -0.82 117.98 122.27 3kob s PHE 40 Ca 0.02 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.60 3kob s PHE 40 Cb -0.15 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 3kob s PHE 40 CO -0.07 -0.52 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.15 3kob s LEU 41 N 1.67 2.00 -0.03 -0.37 2.96 -0.81 0.14 118.68 124.23 3kob s LEU 41 Ca 0.05 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3kob s LEU 41 Cb -0.18 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3kob s LEU 41 CO 0.09 0.21 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.39 3kob s GLY 42 N -0.17 0.64 0.08 7.98 0.00 -0.21 -0.93 107.32 114.70 3kob s GLY 42 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 44.72 44.20 3kob s GLY 42 CO 0.02 -0.12 0.41 -0.42 0.00 0.00 0.00 173.10 172.98 3kob s ILE 43 N 0.21 5.08 -0.03 0.90 1.01 -1.26 -2.11 121.20 125.00 3kob s ILE 43 Ca -0.04 0.48 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 3kob s ILE 43 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3kob s ILE 43 CO 0.01 0.30 0.09 -2.28 0.00 0.00 0.00 174.94 173.06 3kob s HIS 44 N -1.39 3.33 0.33 3.97 5.65 -1.26 -2.74 115.29 123.18 3kob s HIS 44 Ca 0.33 0.26 0.17 0.00 0.25 0.00 0.00 55.06 56.07 3kob s HIS 44 Cb -0.14 -1.78 1.17 0.00 -1.18 0.00 0.00 32.58 30.65 3kob s HIS 44 CO 0.18 0.57 1.45 0.36 -0.65 0.00 0.00 174.74 176.65 3kob n LYS 45 N 1.39 -0.06 -0.97 2.88 0.00 0.62 -0.95 118.16 121.06 3kob n LYS 45 Ca -0.14 1.29 -0.11 0.00 -0.00 0.00 0.00 58.31 59.34 3kob n LYS 45 Cb 0.53 -2.27 0.21 0.00 -0.00 0.00 0.00 35.03 33.50 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 -5.12 3.31 -4.80 -5.58 3.02 -1.26 -4.84 115.26 99.98 3kob n ASN 46 Ca 0.33 -3.61 -0.34 0.00 -0.03 0.00 0.00 54.58 50.93 3kob n ASN 46 Cb 1.12 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.86 6.86 0.00 6.41 1.01 -0.13 -5.02 116.67 123.94 3kob s ASP 47 Ca 0.50 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.58 3kob s ASP 47 Cb 0.43 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3kob s ASP 47 CO 0.06 -0.41 0.00 0.35 0.21 0.00 0.00 175.17 175.38 3kob n THR 48 N -0.41 0.00 -0.01 -1.27 -2.24 -1.26 -4.99 114.28 104.10 3kob n THR 48 Ca 0.06 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 3kob n THR 48 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.00 0.87 -0.20 4.78 -0.00 -1.26 -3.33 117.44 118.29 3kob n TRP 49 Ca 0.00 0.31 0.01 0.00 -0.00 0.00 0.00 57.50 57.82 3kob n TRP 49 Cb 0.00 -1.13 0.11 0.00 -0.00 0.00 0.00 31.31 30.30 3kob n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3kob h GLU 50 N 0.00 0.20 0.18 5.87 4.39 -1.97 0.43 114.58 123.68 3kob h GLU 50 Ca -0.27 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 3kob h GLU 50 Cb 1.90 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 3kob h GLU 50 CO 0.06 0.13 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.52 3kob h ASP 51 N 0.20 -0.21 -0.71 1.42 3.32 -1.92 0.76 116.42 119.29 3kob h ASP 51 Ca 0.33 -0.31 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3kob h ASP 51 Cb 0.51 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 3kob h ASP 51 CO -0.46 0.34 -0.34 0.00 -1.72 0.00 0.00 179.24 177.06 3kob n ALA 52 N -2.59 -0.24 0.13 3.45 0.00 -0.97 -0.87 120.51 119.42 3kob n ALA 52 Ca -0.07 0.66 -0.06 0.00 0.00 0.00 0.00 53.44 53.97 3kob n ALA 52 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3kob n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kob h LEU 53 N 0.00 -0.31 -0.86 0.00 3.38 0.06 -1.87 115.31 115.71 3kob h LEU 53 Ca 0.19 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.42 3kob h LEU 53 Cb 0.37 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.04 3kob h LEU 53 CO -0.69 -0.08 0.06 0.00 0.09 0.00 0.00 178.44 177.81 3kob n TYR 54 N -3.75 0.58 0.30 1.13 9.36 0.26 0.68 117.16 125.73 3kob n TYR 54 Ca -0.05 1.03 -0.12 0.00 3.32 0.00 0.00 57.90 62.09 3kob n TYR 54 Cb 0.14 -1.17 -0.06 0.00 -0.63 0.00 0.00 39.34 37.63 3kob n TYR 54 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3kob h ILE 55 N 0.00 0.00 -0.23 2.97 1.08 -1.01 -2.29 117.51 118.03 3kob h ILE 55 Ca 0.54 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 65.05 3kob h ILE 55 Cb 1.14 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 3kob h ILE 55 CO -0.79 0.00 -0.52 0.40 -0.69 0.00 0.00 178.15 176.55 3kob h ILE 56 N -0.77 0.03 -0.01 -0.67 2.04 0.27 -1.94 117.51 116.46 3kob h ILE 56 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kob h ILE 56 Cb 0.59 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3kob h ILE 56 CO 0.13 0.00 -0.01 -1.14 0.00 0.00 0.00 178.15 177.13 3kob n ARG 57 N -5.42 -0.00 -0.33 2.37 0.63 0.21 -1.18 116.66 112.94 3kob n ARG 57 Ca -0.05 0.70 0.11 0.00 -0.92 0.00 0.00 57.85 57.69 3kob n ARG 57 Cb 0.37 -1.05 0.31 0.00 0.45 0.00 0.00 32.46 32.54 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 0.80 -0.75 -0.14 1.79 -1.00 -1.69 116.57 115.58 3kob h LYS 58 Ca 0.00 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3kob h LYS 58 Cb 0.00 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 3kob h LYS 58 CO -0.01 0.53 0.39 0.00 -1.08 0.00 0.00 179.45 179.28 3kob n LEU 60 N -4.43 0.54 0.00 0.00 4.77 -0.70 -4.15 117.00 113.03 3kob n LEU 60 Ca 0.07 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3kob n LEU 60 Cb 0.11 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3kob n LEU 60 CO 0.38 -0.08 0.24 0.59 -1.33 0.00 0.00 177.39 177.19 3kob n ASN 61 N -1.95 0.96 -4.63 -1.43 3.02 -0.70 -3.70 115.26 106.82 3kob n ASN 61 Ca 0.06 -1.02 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 3kob n ASN 61 Cb 0.40 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 3kob n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kob s LEU 62 N -0.02 3.90 -0.65 3.41 1.43 -0.24 -4.80 118.68 121.71 3kob s LEU 62 Ca 0.00 1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.96 3kob s LEU 62 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3kob s LEU 62 CO 0.00 -1.01 1.95 -0.13 0.23 0.00 0.00 176.35 177.39 3kob s ARG 63 N 3.98 2.53 0.00 1.70 0.52 -1.26 -4.22 118.95 122.19 3kob s ARG 63 Ca 0.52 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 3kob s ARG 63 Cb -0.15 -4.52 0.00 0.00 0.52 0.00 0.00 34.95 30.81 3kob s ARG 63 CO 0.21 -2.93 0.08 1.28 0.02 0.00 0.00 175.30 173.95 3kob n LEU 64 N 13.43 0.15 -4.70 2.53 4.77 -1.09 -4.40 117.00 127.69 3kob n LEU 64 Ca 0.26 -0.57 -0.32 0.00 -0.03 0.00 0.00 56.01 55.35 3kob n LEU 64 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3kob n LEU 64 CO 0.69 0.04 -0.31 0.26 -1.33 0.00 0.00 177.39 176.74 3kob s TRP 65 N -0.82 3.11 0.82 -1.77 0.51 -0.84 -4.84 118.94 115.11 3kob s TRP 65 Ca 0.00 0.10 -0.11 0.00 -2.12 0.00 0.00 56.10 53.97 3kob s TRP 65 Cb 0.00 -1.67 0.09 0.00 -0.81 0.00 0.00 33.47 31.07 3kob s TRP 65 CO 0.00 0.48 1.09 -0.80 -0.51 0.00 0.00 176.95 177.21 3kob s ASN 66 N -1.65 4.12 -0.29 2.95 0.01 -1.26 0.58 114.94 119.40 3kob s ASN 66 Ca 0.21 1.63 -0.18 0.00 -0.71 0.00 0.00 52.86 53.80 3kob s ASN 66 Cb -0.12 -2.33 0.13 0.00 0.41 0.00 0.00 41.25 39.34 3kob s ASN 66 CO 0.12 -2.25 0.96 0.21 -1.51 0.00 0.00 177.10 174.63 3kob s ASN 67 N -3.47 -0.53 1.41 -1.22 3.84 0.79 -4.66 114.94 111.10 3kob s ASN 67 Ca 0.62 0.89 0.00 0.00 0.21 0.00 0.00 52.86 54.58 3kob s ASN 67 Cb -0.17 1.14 0.00 0.00 -0.55 0.00 0.00 41.25 41.67 3kob s ASN 67 CO 0.56 -0.14 0.00 -0.67 -2.79 0.00 0.00 177.10 174.06 3kob n ASP 68 N 3.37 0.00 0.07 -4.21 4.64 -1.26 -2.35 116.55 116.81 3kob n ASP 68 Ca -0.17 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.21 3kob n ASP 68 Cb 0.57 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.64 3kob n ASP 68 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 3kob h ASN 69 N 2.83 -0.16 0.00 1.67 4.21 -2.05 -3.48 115.58 118.60 3kob h ASN 69 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3kob h ASN 69 Cb 0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3kob h ASN 69 CO 0.00 -0.04 0.00 0.29 -1.29 0.00 0.00 177.43 176.39 3kob n LYS 70 N -2.96 0.00 -3.11 0.81 5.02 -0.99 -4.99 118.16 111.94 3kob n LYS 70 Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 3kob n LYS 70 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 3kob n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kob s THR 71 N 0.00 4.41 -1.30 -0.18 -4.23 -1.26 -0.15 115.64 112.92 3kob s THR 71 Ca 0.00 -0.47 -0.24 0.00 -1.18 0.00 0.00 61.69 59.80 3kob s THR 71 Cb 0.00 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.25 3kob s THR 71 CO 0.00 -0.43 0.45 0.79 -0.54 0.00 0.00 174.62 174.89 3kob n TRP 72 N -1.98 -1.30 -0.08 3.99 7.02 -1.25 -4.83 117.44 119.02 3kob n TRP 72 Ca -0.01 0.22 -0.16 0.00 -1.02 0.00 0.00 57.50 56.53 3kob n TRP 72 Cb 0.57 -2.71 -0.06 0.00 -2.42 0.00 0.00 31.31 26.69 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 -2.31 1.35 -4.47 -0.99 2.03 0.20 -4.70 116.55 107.65 3kob n ASP 73 Ca -0.18 0.16 -0.32 0.00 0.52 0.00 0.00 54.79 54.97 3kob n ASP 73 Cb 0.59 -0.44 -0.13 0.00 -0.72 0.00 0.00 41.12 40.42 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 -2.29 2.44 0.50 -0.67 -0.14 -0.48 -4.83 119.74 114.26 3kob s LYS 74 Ca -0.22 -0.74 -0.03 0.00 -1.36 0.00 0.00 55.97 53.62 3kob s LYS 74 Cb 0.08 -2.35 0.10 0.00 -1.68 0.00 0.00 37.83 33.99 3kob s LYS 74 CO 0.29 0.61 0.68 0.27 -0.76 0.00 0.00 175.35 176.44 3kob n ASN 75 N 2.18 0.66 -0.08 2.83 0.23 -1.26 -1.99 115.26 117.83 3kob n ASN 75 Ca -0.17 -1.62 -0.12 0.00 -0.53 0.00 0.00 54.58 52.15 3kob n ASN 75 Cb 0.52 -0.47 -0.05 0.00 -2.08 0.00 0.00 39.78 37.71 3kob n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3kob h VAL 76 N -0.76 1.28 -0.73 3.53 3.04 -1.73 -2.48 116.25 118.40 3kob h VAL 76 Ca -0.22 -1.02 0.09 0.00 -1.01 0.00 0.00 66.70 64.54 3kob h VAL 76 Cb 0.77 1.50 -0.07 0.00 -2.01 0.00 0.00 31.29 31.47 3kob h VAL 76 CO 0.22 0.31 0.38 0.11 -1.01 0.00 0.00 177.57 177.58 3kob h LYS 77 N 0.16 0.62 0.00 4.17 1.57 -1.87 -0.91 116.57 120.31 3kob h LYS 77 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kob h LYS 77 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kob h LYS 77 CO 0.02 0.41 0.00 -0.25 -0.57 0.00 0.00 179.45 179.06 3kob n ASP 78 N -4.84 0.00 -0.22 0.86 8.00 -1.09 -2.02 116.55 117.24 3kob n ASP 78 Ca 0.11 0.81 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3kob n ASP 78 Cb 0.27 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.64 0.04 -4.34 0.64 4.77 -0.95 -4.77 117.00 110.76 3kob n LEU 79 Ca 0.00 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 3kob n LEU 79 Cb 0.00 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3kob n LEU 79 CO 0.00 0.01 -0.45 0.59 -1.33 0.00 0.00 177.39 176.21 3kob n ASN 80 N -0.09 0.69 -4.81 -1.43 4.13 -0.86 -4.94 115.26 107.96 3kob n ASN 80 Ca 0.00 -1.27 -0.22 0.00 1.68 0.00 0.00 54.58 54.76 3kob n ASN 80 Cb 0.01 -1.61 0.08 0.00 -1.54 0.00 0.00 39.78 36.73 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 -4.28 1.87 0.08 3.10 2.02 -0.38 -5.03 117.35 114.73 3kob s TYR 81 Ca 0.08 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kob s TYR 81 Cb -0.04 -2.79 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3kob s TYR 81 CO 1.00 -1.40 0.18 -1.21 -1.57 0.00 0.00 175.55 172.55 3kob s GLU 82 N -4.96 3.26 -0.06 -0.62 2.02 -0.77 -4.81 118.70 112.77 3kob s GLU 82 Ca 0.63 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 55.10 3kob s GLU 82 Cb -0.07 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.25 3kob s GLU 82 CO 0.42 0.58 -0.13 -0.48 0.02 0.00 0.00 175.26 175.67 3kob s LEU 83 N -2.60 1.70 -0.38 1.80 0.05 -0.63 -1.70 118.68 116.92 3kob s LEU 83 Ca 0.33 -0.30 -0.19 0.00 0.05 0.00 0.00 54.13 54.02 3kob s LEU 83 Cb -0.12 -0.83 0.01 0.00 -2.05 0.00 0.00 46.19 43.20 3kob s LEU 83 CO 0.26 0.06 0.58 -0.22 -0.55 0.00 0.00 176.35 176.48 3kob s LEU 84 N 0.52 4.40 -0.46 1.48 2.96 0.13 -2.84 118.68 124.86 3kob s LEU 84 Ca -0.12 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 3kob s LEU 84 Cb -0.14 -2.67 0.05 0.00 0.50 0.00 0.00 46.19 43.92 3kob s LEU 84 CO 0.03 -0.60 0.43 -0.63 -1.32 0.00 0.00 176.35 174.26 3kob s ILE 85 N 2.59 5.14 -0.10 6.68 -1.09 0.16 0.12 121.20 134.70 3kob s ILE 85 Ca 0.21 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.94 3kob s ILE 85 Cb -0.15 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3kob s ILE 85 CO 0.15 -0.54 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.39 3kob s VAL 86 N 1.94 2.05 -0.31 2.92 1.01 0.00 -3.93 120.40 124.09 3kob s VAL 86 Ca 0.08 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 3kob s VAL 86 Cb -0.21 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3kob s VAL 86 CO 0.10 0.56 1.45 -0.55 0.00 0.00 0.00 175.10 176.65 3kob s SER 87 N 0.32 6.45 -0.39 3.32 0.15 -1.26 -1.93 113.70 120.37 3kob s SER 87 Ca -0.18 1.22 0.04 0.00 0.70 0.00 0.00 55.95 57.72 3kob s SER 87 Cb -0.18 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.70 3kob s SER 87 CO 0.09 -1.26 0.11 -1.58 1.20 0.00 0.00 173.24 171.79 3kob s GLN 88 N 4.61 1.56 0.50 5.44 2.00 -0.11 -4.78 119.66 128.88 3kob s GLN 88 Ca 0.63 -2.03 0.32 0.00 -2.00 0.00 0.00 55.36 52.28 3kob s GLN 88 Cb -0.18 -3.16 1.31 0.00 0.80 0.00 0.00 33.01 31.78 3kob s GLN 88 CO 0.28 -0.99 1.94 0.27 -0.50 0.00 0.00 175.29 176.29 3kob h PHE 89 N 7.33 0.00 0.00 1.67 -5.15 -1.94 -3.19 116.94 115.66 3kob h PHE 89 Ca -0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 3kob h PHE 89 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 3kob h PHE 89 CO 0.47 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.03 3kob n THR 90 N -2.94 0.00 0.17 0.88 -2.24 -1.26 -1.81 114.28 107.07 3kob n THR 90 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3kob n THR 90 Cb 0.29 -0.60 0.20 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.53 3.22 3.38 -1.95 -3.00 115.31 115.43 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kob h LEU 91 CO 0.00 0.44 0.00 0.49 0.09 0.00 0.00 178.44 179.46 3kob n PHE 92 N -3.38 0.61 -2.55 1.13 3.72 -0.75 -4.71 117.46 111.53 3kob n PHE 92 Ca 0.01 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 3kob n PHE 92 Cb 0.62 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.79 1.41 0.13 1.37 0.00 -1.13 -4.42 107.32 103.88 3kob s GLY 93 Ca 0.23 -2.59 -0.34 0.00 0.00 0.00 0.00 44.72 42.02 3kob s GLY 93 CO 0.13 2.75 1.58 -2.01 0.00 0.00 0.00 173.10 175.54 3kob n ASN 94 N 8.86 2.95 -0.94 1.64 2.85 -1.11 -4.84 115.26 124.67 3kob n ASN 94 Ca 0.42 1.08 0.05 0.00 -0.11 0.00 0.00 54.58 56.02 3kob n ASN 94 Cb 0.48 -1.39 0.13 0.00 1.24 0.00 0.00 39.78 40.24 3kob n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3kob n THR 95 N 3.47 1.26 0.88 -0.44 -2.24 -1.26 -2.40 114.28 113.54 3kob n THR 95 Ca 0.18 -2.24 0.12 0.00 -2.27 0.00 0.00 64.05 59.84 3kob n THR 95 Cb 0.28 0.28 0.53 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.45 0.05 -3.01 -0.78 4.01 -1.26 -4.01 118.16 112.71 3kob n LYS 96 Ca 0.13 0.08 -0.41 0.00 -0.51 0.00 0.00 58.31 57.60 3kob n LYS 96 Cb 0.87 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 3kob n LYS 96 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3kob n LYS 97 N -1.47 4.40 0.00 1.97 2.85 -1.26 -5.04 118.16 119.61 3kob n LYS 97 Ca 0.07 -4.58 0.00 0.00 -1.05 0.00 0.00 58.31 52.75 3kob n LYS 97 Cb 0.27 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 3kob n LYS 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kob n GLY 98 N 1.15 0.32 0.63 2.58 0.00 -1.26 -4.07 105.19 104.54 3kob n GLY 98 Ca 0.28 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.08 1.78 -4.37 1.61 4.13 -1.26 -4.70 115.26 109.37 3kob n ASN 99 Ca 0.00 -2.08 -0.33 0.00 1.68 0.00 0.00 54.58 53.85 3kob n ASN 99 Cb 0.00 -0.27 -0.14 0.00 -1.54 0.00 0.00 39.78 37.82 3kob n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kob s LYS 100 N -1.64 3.35 -0.67 3.52 1.02 -1.26 -5.09 119.74 118.98 3kob s LYS 100 Ca 0.19 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.23 3kob s LYS 100 Cb 0.11 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3kob s LYS 100 CO 0.11 0.22 1.14 -2.14 -0.92 0.00 0.00 175.35 173.77 3kob s PRO 101 N 0.32 3.25 -0.28 -1.68 0.02 -1.26 -4.78 135.00 130.59 3kob s PRO 101 Ca -0.11 -0.30 -0.28 0.00 0.02 0.00 0.00 61.00 60.34 3kob s PRO 101 Cb -0.16 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 3kob s PRO 101 CO 0.06 -1.90 2.08 0.34 -0.33 0.00 0.00 177.00 177.25 3kob s ASP 102 N 3.47 5.53 -0.08 2.53 2.15 -1.01 -4.83 116.67 124.42 3kob s ASP 102 Ca 0.33 1.60 0.13 0.00 0.43 0.00 0.00 52.55 55.04 3kob s ASP 102 Cb -0.11 -2.52 0.53 0.00 -0.30 0.00 0.00 42.92 40.53 3kob s ASP 102 CO 0.16 -1.95 1.40 0.49 -0.17 0.00 0.00 175.17 175.10 3kob n PHE 103 N 11.53 1.11 -0.34 -5.34 3.72 -1.26 -2.75 117.46 124.13 3kob n PHE 103 Ca 0.28 -0.44 0.34 0.00 -0.05 0.00 0.00 57.45 57.58 3kob n PHE 103 Cb 0.46 -0.20 0.72 0.00 -0.94 0.00 0.00 39.48 39.53 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 3.01 0.10 0.00 1.38 3.86 -1.88 -2.22 115.15 119.40 3kob h HIS 104 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kob h HIS 104 Cb 1.14 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3kob h HIS 104 CO 0.57 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.65 3kob n LEU 105 N -4.24 0.50 -4.77 2.43 4.77 -1.26 -4.82 117.00 109.60 3kob n LEU 105 Ca 0.26 0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 56.46 3kob n LEU 105 Cb 1.23 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 3kob n LEU 105 CO 0.38 -0.19 0.78 0.00 -1.33 0.00 0.00 177.39 177.03 3kob s ALA 106 N -3.10 2.61 0.40 -1.18 0.00 -0.84 -0.28 121.76 119.38 3kob s ALA 106 Ca 0.10 0.80 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 3kob s ALA 106 Cb 0.14 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3kob s ALA 106 CO 0.52 -0.96 1.21 0.21 0.00 0.00 0.00 175.76 176.74 3kob s LYS 107 N -3.47 4.03 0.31 0.00 2.20 -1.11 -4.00 119.74 117.70 3kob s LYS 107 Ca 0.72 1.94 -0.29 0.00 -0.36 0.00 0.00 55.97 57.99 3kob s LYS 107 Cb -0.24 -2.71 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 3kob s LYS 107 CO 0.31 -0.37 1.38 -2.00 -0.36 0.00 0.00 175.35 174.31 3kob s GLU 108 N -2.26 4.28 0.13 4.03 -6.30 -1.26 -4.71 118.70 112.61 3kob s GLU 108 Ca 0.57 2.31 -0.06 0.00 -2.50 0.00 0.00 54.97 55.28 3kob s GLU 108 Cb -0.33 -3.07 0.18 0.00 0.00 0.00 0.00 34.13 30.91 3kob s GLU 108 CO 0.42 -0.33 0.78 -2.30 0.02 0.00 0.00 175.26 173.85 3kob n PRO 109 N 1.28 -0.08 0.20 4.30 -0.02 -1.26 -1.54 135.00 137.88 3kob n PRO 109 Ca 0.03 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 3kob n PRO 109 Cb 0.41 -1.15 0.40 0.00 -0.02 0.00 0.00 33.50 33.13 3kob n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kob h ASN 110 N 0.00 0.00 0.49 2.55 2.35 -2.01 -2.22 115.58 116.74 3kob h ASN 110 Ca 0.21 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.70 3kob h ASN 110 Cb 0.33 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 3kob h ASN 110 CO -0.51 0.33 -1.70 -0.62 -1.65 0.00 0.00 177.43 173.28 3kob n GLU 111 N -3.58 0.64 -0.04 0.81 1.02 -0.98 -3.94 120.64 114.56 3kob n GLU 111 Ca -0.01 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 3kob n GLU 111 Cb 0.46 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.15 0.24 -2.35 0.62 0.00 -1.08 -1.10 119.26 116.74 3kob h ALA 112 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kob h ALA 112 Cb 1.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3kob h ALA 112 CO 0.06 -0.31 0.00 -0.11 0.00 0.00 0.00 179.25 178.89 3kob n LEU 113 N -5.00 0.00 -0.33 0.00 7.94 -0.85 -0.19 117.00 118.57 3kob n LEU 113 Ca -0.03 0.61 0.15 0.00 -1.11 0.00 0.00 56.01 55.63 3kob n LEU 113 Cb 0.05 -0.11 0.30 0.00 0.53 0.00 0.00 43.42 44.19 3kob n LEU 113 CO 0.32 -0.11 0.82 -0.29 -1.11 0.00 0.00 177.39 177.03 3kob h ILE 114 N 0.00 0.05 0.00 1.96 6.09 -1.68 -2.10 117.51 121.83 3kob h ILE 114 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3kob h ILE 114 Cb 0.00 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.31 3kob h ILE 114 CO 0.00 0.00 0.00 0.33 -3.07 0.00 0.00 178.15 175.41 3kob n PHE 115 N -5.46 0.00 -0.13 2.19 7.35 -0.42 -1.56 117.46 119.44 3kob n PHE 115 Ca 0.23 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.02 3kob n PHE 115 Cb 0.77 -0.19 0.16 0.00 0.35 0.00 0.00 39.48 40.57 3kob n PHE 115 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 3kob n TYR 116 N -1.29 0.07 1.01 -5.13 9.36 0.74 0.06 117.16 121.98 3kob n TYR 116 Ca 0.00 0.07 0.12 0.00 3.32 0.00 0.00 57.90 61.41 3kob n TYR 116 Cb 0.00 -0.28 0.17 0.00 -0.63 0.00 0.00 39.34 38.60 3kob n TYR 116 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3kob n ASN 117 N -2.70 0.65 0.10 2.98 4.13 -0.60 -1.16 115.26 118.65 3kob n ASN 117 Ca 0.09 -0.46 0.12 0.00 1.68 0.00 0.00 54.58 56.01 3kob n ASN 117 Cb 0.38 0.42 0.11 0.00 -1.54 0.00 0.00 39.78 39.15 3kob n ASN 117 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3kob h LYS 118 N 0.06 0.00 0.12 3.52 1.57 -0.23 -2.84 116.57 118.77 3kob h LYS 118 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3kob h LYS 118 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 3kob h LYS 118 CO 0.00 0.00 -1.14 0.82 -0.57 0.00 0.00 179.45 178.56 3kob h ILE 119 N 0.00 1.23 -0.75 1.86 2.04 -1.38 -2.68 117.51 117.83 3kob h ILE 119 Ca 0.00 -2.44 0.15 0.00 1.00 0.00 0.00 64.86 63.56 3kob h ILE 119 Cb 0.88 2.90 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 3kob h ILE 119 CO 0.00 0.69 0.50 0.40 0.00 0.00 0.00 178.15 179.74 3kob h ILE 120 N -0.37 0.80 0.00 -0.67 1.08 -1.28 -2.10 117.51 114.96 3kob h ILE 120 Ca -0.24 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3kob h ILE 120 Cb 1.68 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 3kob h ILE 120 CO 0.08 0.08 0.00 0.47 -0.69 0.00 0.00 178.15 178.09 3kob n ASP 121 N -4.48 0.00 0.00 1.72 9.92 -1.04 -1.66 116.55 121.02 3kob n ASP 121 Ca 0.14 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 3kob n ASP 121 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3kob n ASP 121 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3kob n GLU 122 N -0.75 3.26 0.29 -1.24 4.07 -0.88 -3.80 120.64 121.59 3kob n GLU 122 Ca 0.10 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.06 3kob n GLU 122 Cb 0.05 -0.93 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 3kob n GLU 122 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 3kob h PHE 123 N 0.00 -1.03 -0.53 4.31 0.04 -1.35 1.00 116.94 119.38 3kob h PHE 123 Ca 0.00 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 3kob h PHE 123 Cb 0.86 0.38 -0.08 0.00 2.20 0.00 0.00 35.95 39.31 3kob h PHE 123 CO 0.00 -0.54 0.08 0.87 -0.60 0.00 0.00 178.31 178.12 3kob h LYS 124 N -0.86 0.21 0.17 1.51 1.57 -1.50 0.20 116.57 117.87 3kob h LYS 124 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kob h LYS 124 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3kob h LYS 124 CO 0.03 0.14 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.66 3kob h LYS 125 N 0.21 -0.33 0.08 3.15 3.64 -1.64 -2.85 116.57 118.83 3kob h LYS 125 Ca 0.27 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3kob h LYS 125 Cb 0.39 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3kob h LYS 125 CO -0.37 -0.22 -0.04 1.96 -2.27 0.00 0.00 179.45 178.51 3kob h GLN 126 N -0.34 -0.10 0.00 1.90 4.20 0.16 -3.39 115.11 117.54 3kob h GLN 126 Ca -0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kob h GLN 126 Cb 0.30 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kob h GLN 126 CO -0.02 0.29 0.00 0.98 -0.67 0.00 0.00 178.83 179.41 3kob n TYR 127 N -4.95 0.00 -3.57 2.96 9.36 0.66 -5.07 117.16 116.56 3kob n TYR 127 Ca -0.08 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.02 3kob n TYR 127 Cb 0.23 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.90 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 -1.22 -0.35 0.52 2.98 3.84 -1.16 -4.97 114.94 114.58 3kob s ASN 128 Ca 0.00 -0.18 0.22 0.00 0.21 0.00 0.00 52.86 53.11 3kob s ASN 128 Cb 0.00 0.51 1.39 0.00 -0.55 0.00 0.00 41.25 42.60 3kob s ASN 128 CO 0.00 -0.87 2.11 -0.78 -2.79 0.00 0.00 177.10 174.77 3kob h ASP 129 N 2.30 0.00 0.24 -4.21 3.58 -1.81 -3.32 116.42 113.20 3kob h ASP 129 Ca -0.34 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.81 3kob h ASP 129 Cb 1.27 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.34 3kob h ASP 129 CO 0.44 0.09 -1.28 -0.78 -2.88 0.00 0.00 179.24 174.82 3kob h ASP 130 N 0.00 0.79 -0.33 2.28 3.58 -1.96 -3.32 116.42 117.46 3kob h ASP 130 Ca -0.00 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 3kob h ASP 130 Cb 0.18 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.98 3kob h ASP 130 CO 0.01 1.58 0.00 0.29 -2.88 0.00 0.00 179.24 178.24 3kob n LYS 131 N -3.74 1.94 -3.48 0.28 4.76 -1.25 -4.83 118.16 111.86 3kob n LYS 131 Ca -0.13 -1.44 -0.43 0.00 -2.87 0.00 0.00 58.31 53.44 3kob n LYS 131 Cb 1.01 -1.37 -0.10 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.56 5.13 -0.01 -0.18 -1.09 -1.25 -1.60 121.20 120.63 3kob s ILE 132 Ca 0.31 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 3kob s ILE 132 Cb 0.16 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3kob s ILE 132 CO 0.23 -0.33 -0.15 -0.54 -1.23 0.00 0.00 174.94 172.91 3kob s LYS 133 N 1.65 2.34 0.00 2.79 3.01 -1.13 -5.02 119.74 123.38 3kob s LYS 133 Ca 0.04 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.19 3kob s LYS 133 Cb -0.20 -2.31 0.00 0.00 -1.01 0.00 0.00 37.83 34.31 3kob s LYS 133 CO 0.09 0.59 0.00 0.44 0.51 0.00 0.00 175.35 176.98 3kob n ILE 134 N 1.96 0.00 -3.45 2.17 -5.35 -1.26 0.37 119.36 113.81 3kob n ILE 134 Ca -0.16 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3kob n ILE 134 Cb 0.52 -0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.11 -0.58 -0.71 3.28 0.00 -1.25 -4.64 107.32 103.30 3kob s GLY 135 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 44.72 45.14 3kob s GLY 135 CO 0.00 0.26 2.32 0.54 0.00 0.00 0.00 173.10 176.22 3kob s LYS 136 N -3.42 1.91 -0.41 2.90 -0.14 -1.26 -4.83 119.74 114.48 3kob s LYS 136 Ca 0.01 0.65 -0.40 0.00 -1.36 0.00 0.00 55.97 54.86 3kob s LYS 136 Cb -0.01 -4.74 -0.16 0.00 -1.68 0.00 0.00 37.83 31.24 3kob s LYS 136 CO -0.11 -3.91 2.07 0.34 -0.76 0.00 0.00 175.35 172.98 3kob n PHE 137 N 17.02 1.50 -2.31 3.18 7.35 -1.26 -1.92 117.46 141.02 3kob n PHE 137 Ca 0.42 0.57 -0.02 0.00 -0.76 0.00 0.00 57.45 57.66 3kob n PHE 137 Cb 0.47 -2.40 0.01 0.00 0.35 0.00 0.00 39.48 37.91 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 6.42 -0.59 3.28 7.13 0.00 -1.26 -5.08 105.19 115.08 3kob n GLY 138 Ca 0.44 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.69 -0.22 -0.19 1.61 0.01 -0.81 -5.10 114.94 107.54 3kob s ASN 139 Ca 0.06 0.03 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 3kob s ASN 139 Cb -0.01 0.36 -0.05 0.00 0.41 0.00 0.00 41.25 41.97 3kob s ASN 139 CO 0.37 -0.55 1.95 -0.47 -1.51 0.00 0.00 177.10 176.89 3kob s TYR 140 N -1.92 1.53 0.13 2.20 5.04 -1.26 -4.97 117.35 118.11 3kob s TYR 140 Ca -0.09 0.38 0.07 0.00 -2.44 0.00 0.00 57.07 54.99 3kob s TYR 140 Cb -0.03 -4.04 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 3kob s TYR 140 CO 0.01 -3.86 -0.07 -1.64 -1.34 0.00 0.00 175.55 168.65 3kob s MET 141 N 5.47 2.21 -0.21 4.97 -1.94 -1.26 -4.43 119.30 124.11 3kob s MET 141 Ca 0.87 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 3kob s MET 141 Cb -0.31 -2.32 0.05 0.00 2.01 0.00 0.00 34.83 34.26 3kob s MET 141 CO 0.35 0.49 -0.10 1.21 -0.01 0.00 0.00 175.02 176.95 3kob s ASN 142 N -2.47 3.63 -0.24 3.03 2.47 -1.23 -4.95 114.94 115.18 3kob s ASN 142 Ca 0.24 -1.00 -0.01 0.00 0.42 0.00 0.00 52.86 52.50 3kob s ASN 142 Cb -0.10 -1.30 0.03 0.00 -1.45 0.00 0.00 41.25 38.42 3kob s ASN 142 CO 0.15 -0.15 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.67 3kob s ILE 143 N 1.33 2.71 -0.15 -5.21 1.01 -1.26 -0.32 121.20 119.31 3kob s ILE 143 Ca -0.03 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.24 3kob s ILE 143 Cb -0.17 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 3kob s ILE 143 CO -0.08 0.21 1.03 -1.81 0.00 0.00 0.00 174.94 174.29 3kob s ASP 144 N 1.30 7.18 -0.23 3.58 1.01 0.16 -4.96 116.67 124.70 3kob s ASP 144 Ca -0.00 1.49 0.01 0.00 0.71 0.00 0.00 52.55 54.75 3kob s ASP 144 Cb -0.17 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.27 3kob s ASP 144 CO -0.05 -0.54 -0.06 -0.69 0.21 0.00 0.00 175.17 174.03 3kob s VAL 145 N 2.50 1.57 -0.29 -1.27 1.01 -1.26 -1.90 120.40 120.77 3kob s VAL 145 Ca 0.47 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3kob s VAL 145 Cb -0.17 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3kob s VAL 145 CO 0.13 -0.05 1.05 -0.89 0.00 0.00 0.00 175.10 175.35 3kob s THR 146 N 1.38 4.58 -0.01 3.92 2.01 -1.04 -5.02 115.64 121.46 3kob s THR 146 Ca -0.05 1.81 -0.13 0.00 0.31 0.00 0.00 61.69 63.63 3kob s THR 146 Cb -0.18 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 3kob s THR 146 CO -0.06 -0.37 0.36 0.20 -0.69 0.00 0.00 174.62 174.06 3kob s ASN 147 N 1.50 6.73 -0.81 3.53 0.01 -1.26 -2.22 114.94 122.42 3kob s ASN 147 Ca 0.44 0.87 0.02 0.00 -0.71 0.00 0.00 52.86 53.48 3kob s ASN 147 Cb -0.13 -2.22 0.21 0.00 0.41 0.00 0.00 41.25 39.52 3kob s ASN 147 CO 0.12 0.33 0.72 -0.67 -1.51 0.00 0.00 177.10 176.09 3kob n ASP 148 N 1.78 3.86 0.00 -1.22 -0.08 0.39 -4.69 116.55 116.59 3kob n ASP 148 Ca -0.15 -3.22 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 3kob n ASP 148 Cb 0.53 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 43.08 3kob n ASP 148 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kob n GLY 149 N 1.93 2.03 3.91 0.27 0.00 -1.26 -4.02 105.19 108.05 3kob n GLY 149 Ca 0.22 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 2.00 -0.14 1.61 0.04 -1.26 -5.15 135.00 132.10 3kob s PRO 150 Ca 0.00 0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.06 3kob s PRO 150 Cb 0.00 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3kob s PRO 150 CO 0.00 -1.53 -0.07 0.08 0.04 0.00 0.00 177.00 175.53 3kob s VAL 151 N -3.51 1.08 -0.07 -0.36 1.01 -1.26 -5.02 120.40 112.28 3kob s VAL 151 Ca 0.62 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3kob s VAL 151 Cb -0.11 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3kob s VAL 151 CO 0.48 0.28 -0.22 -0.89 0.00 0.00 0.00 175.10 174.74 3kob s THR 152 N 1.67 1.87 -0.05 3.92 2.01 -1.26 -2.19 115.64 121.61 3kob s THR 152 Ca 0.03 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.12 3kob s THR 152 Cb -0.14 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.78 3kob s THR 152 CO -0.08 0.52 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.65 3kob s ILE 153 N 0.15 0.85 0.24 1.82 -1.09 -1.04 -4.99 121.20 117.14 3kob s ILE 153 Ca -0.11 -0.34 0.09 0.00 -2.23 0.00 0.00 60.65 58.06 3kob s ILE 153 Cb -0.15 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 39.90 3kob s ILE 153 CO 0.06 0.28 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.57 3kob s TYR 154 N 0.57 2.73 -0.15 3.97 5.04 -1.26 -1.08 117.35 127.17 3kob s TYR 154 Ca -0.10 -0.20 -0.11 0.00 -2.44 0.00 0.00 57.07 54.21 3kob s TYR 154 Cb -0.13 -1.24 0.04 0.00 0.35 0.00 0.00 41.96 40.98 3kob s TYR 154 CO 0.02 0.59 0.38 0.42 -1.34 0.00 0.00 175.55 175.62 3kob s ILE 155 N -2.14 -0.01 -0.15 3.14 1.01 -1.03 -5.00 121.20 117.02 3kob s ILE 155 Ca 0.30 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3kob s ILE 155 Cb -0.07 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.86 3kob s ILE 155 CO 0.19 0.02 -0.21 -0.62 0.00 0.00 0.00 174.94 174.32 3kob s ASP 156 N 0.67 3.20 0.00 3.58 -1.08 -1.26 -2.48 116.67 119.29 3kob s ASP 156 Ca -0.04 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 3kob s ASP 156 Cb -0.05 -1.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.94 3kob s ASP 156 CO -0.04 0.07 0.57 0.35 0.52 0.00 0.00 175.17 176.64 3kob n THR 157 N 4.15 0.00 -0.11 1.71 -2.24 0.90 -3.81 114.28 114.88 3kob n THR 157 Ca -0.20 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3kob n THR 157 Cb 0.51 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.18 0.00 -0.23 4.78 8.25 -1.26 -3.84 115.22 122.74 3kob n HIS 158 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3kob n HIS 158 Cb 0.10 -0.84 0.04 0.00 1.12 0.00 0.00 29.99 30.41 3kob n HIS 158 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3kob h ASP 159 N -0.08 0.85 0.00 0.41 5.19 -1.99 -3.40 116.42 117.40 3kob h ASP 159 Ca -0.50 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 3kob h ASP 159 Cb 1.73 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 41.02 3kob h ASP 159 CO -0.10 0.76 0.00 -0.38 -3.12 0.00 0.00 179.24 176.40 3kob n ILE 160 N -4.47 0.00 -0.41 0.35 2.08 -1.26 -5.19 119.36 110.47 3kob n ILE 160 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 3kob n ILE 160 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 3kob n ILE 160 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70