#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 3.30 0.16 2.12 0.52 -0.73 -2.71 118.95 121.61 3kob s ARG 2 Ca 0.00 -0.73 0.11 0.00 -0.52 0.00 0.00 55.73 54.59 3kob s ARG 2 Cb 0.00 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 3kob s ARG 2 CO 0.00 0.16 -0.24 0.54 0.02 0.00 0.00 175.30 175.79 3kob s VAL 3 N 0.46 2.43 -0.27 3.52 0.11 -0.51 -1.88 120.40 124.27 3kob s VAL 3 Ca -0.11 -1.86 0.02 0.00 -2.93 0.00 0.00 61.98 57.10 3kob s VAL 3 Cb -0.16 -2.13 0.07 0.00 -1.53 0.00 0.00 36.38 32.63 3kob s VAL 3 CO 0.05 -0.02 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.08 3kob s VAL 4 N -1.40 1.74 0.34 2.04 1.01 -0.63 -2.79 120.40 120.71 3kob s VAL 4 Ca 0.18 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 3kob s VAL 4 Cb -0.09 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 3kob s VAL 4 CO 0.09 -0.25 0.87 -0.63 0.00 0.00 0.00 175.10 175.18 3kob s ILE 5 N 1.26 4.40 -0.08 2.22 1.01 -0.09 -1.55 121.20 128.37 3kob s ILE 5 Ca -0.01 1.49 -0.03 0.00 0.00 0.00 0.00 60.65 62.09 3kob s ILE 5 Cb -0.19 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3kob s ILE 5 CO -0.08 -0.04 0.15 -1.10 0.00 0.00 0.00 174.94 173.87 3kob s GLN 6 N -2.53 0.04 0.28 2.79 -0.21 -0.95 -1.83 119.66 117.26 3kob s GLN 6 Ca 0.53 0.50 -0.29 0.00 0.02 0.00 0.00 55.36 56.12 3kob s GLN 6 Cb -0.14 -0.25 -0.10 0.00 1.00 0.00 0.00 33.01 33.52 3kob s GLN 6 CO 0.19 -0.27 1.18 0.50 -2.12 0.00 0.00 175.29 174.77 3kob s ARG 7 N 1.97 4.54 0.03 2.91 3.52 -0.89 -2.43 118.95 128.59 3kob s ARG 7 Ca -0.00 1.93 -0.04 0.00 -0.13 0.00 0.00 55.73 57.49 3kob s ARG 7 Cb -0.12 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3kob s ARG 7 CO -0.06 0.05 0.05 0.14 -0.81 0.00 0.00 175.30 174.68 3kob s VAL 8 N -0.98 0.13 -1.06 7.11 -7.23 -0.62 -1.31 120.40 116.44 3kob s VAL 8 Ca 0.47 -1.05 0.14 0.00 -1.81 0.00 0.00 61.98 59.74 3kob s VAL 8 Cb -0.34 -0.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 3kob s VAL 8 CO 0.44 -0.58 0.72 1.17 -0.31 0.00 0.00 175.10 176.54 3kob n LYS 9 N 1.07 2.03 -3.83 4.82 4.81 -0.91 -0.73 118.16 125.41 3kob n LYS 9 Ca -0.21 -0.45 0.03 0.00 -0.87 0.00 0.00 58.31 56.82 3kob n LYS 9 Cb 0.57 -1.20 0.01 0.00 0.02 0.00 0.00 35.03 34.43 3kob n LYS 9 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kob s GLY 10 N -2.00 -0.30 0.00 3.14 0.00 -1.07 -2.75 107.32 104.35 3kob s GLY 10 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.24 3kob s GLY 10 CO 0.45 3.67 0.00 0.00 0.00 0.00 0.00 173.10 177.22 3kob n ALA 11 N -0.75 0.00 -3.99 3.20 0.00 -1.01 -1.96 120.51 116.01 3kob n ALA 11 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 3kob n ALA 11 Cb 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 3kob n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kob s ILE 12 N 0.00 1.86 0.03 0.00 1.01 0.36 -1.10 121.20 123.35 3kob s ILE 12 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 3kob s ILE 12 Cb 0.00 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 3kob s ILE 12 CO 0.00 -0.22 0.67 -0.22 0.00 0.00 0.00 174.94 175.17 3kob s LEU 13 N 1.21 4.45 -0.18 2.97 0.20 0.97 -1.80 118.68 126.50 3kob s LEU 13 Ca -0.02 1.30 -0.16 0.00 0.69 0.00 0.00 54.13 55.94 3kob s LEU 13 Cb -0.19 -3.06 0.05 0.00 -0.43 0.00 0.00 46.19 42.56 3kob s LEU 13 CO -0.07 0.09 0.47 -0.94 -0.29 0.00 0.00 176.35 175.60 3kob s SER 14 N -0.26 -0.50 0.33 3.68 1.04 -0.71 -1.69 113.70 115.59 3kob s SER 14 Ca 0.34 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.80 3kob s SER 14 Cb -0.19 0.95 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 3kob s SER 14 CO 0.20 -0.17 0.17 0.68 0.98 0.00 0.00 173.24 175.11 3kob s VAL 15 N 0.34 3.29 -0.18 5.02 -7.23 -0.65 -2.12 120.40 118.87 3kob s VAL 15 Ca -0.01 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3kob s VAL 15 Cb -0.04 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 3kob s VAL 15 CO -0.00 -0.21 1.47 -0.60 -0.31 0.00 0.00 175.10 175.45 3kob s ARG 16 N -3.87 4.04 0.83 4.82 3.52 -1.26 -1.36 118.95 125.66 3kob s ARG 16 Ca 0.38 1.72 -0.12 0.00 -0.13 0.00 0.00 55.73 57.58 3kob s ARG 16 Cb -0.04 -3.92 0.09 0.00 -1.56 0.00 0.00 34.95 29.52 3kob s ARG 16 CO 0.24 -0.98 1.11 -1.59 -0.81 0.00 0.00 175.30 173.26 3kob s LYS 17 N 4.09 1.83 0.00 5.12 0.00 -1.14 -4.96 119.74 124.68 3kob s LYS 17 Ca 0.64 0.57 0.00 0.00 0.00 0.00 0.00 55.97 57.19 3kob s LYS 17 Cb -0.25 -1.89 0.00 0.00 0.00 0.00 0.00 37.83 35.69 3kob s LYS 17 CO 0.24 -1.78 0.00 0.39 0.00 0.00 0.00 175.35 174.20 3kob n GLU 18 N -3.53 0.00 -2.86 1.78 -0.58 -1.26 -4.83 120.64 109.36 3kob n GLU 18 Ca 0.07 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.41 3kob n GLU 18 Cb 0.57 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.38 3kob n GLU 18 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kob s ASN 19 N -2.21 7.51 -0.15 1.62 0.01 -1.26 -5.06 114.94 115.40 3kob s ASN 19 Ca 0.00 1.79 0.01 0.00 -0.71 0.00 0.00 52.86 53.95 3kob s ASN 19 Cb 0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 3kob s ASN 19 CO 0.00 0.16 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.94 3kob s ILE 20 N -1.05 1.84 -0.32 0.60 1.01 -1.26 -5.03 121.20 116.98 3kob s ILE 20 Ca 0.39 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 3kob s ILE 20 Cb -0.24 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3kob s ILE 20 CO 0.29 0.50 1.39 0.61 0.00 0.00 0.00 174.94 177.74 3kob n GLY 21 N 4.46 2.17 4.69 6.18 0.00 -1.22 -4.63 105.19 116.84 3kob n GLY 21 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3kob n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kob n GLU 22 N 4.72 0.00 -2.66 1.61 -0.58 -1.26 -3.34 120.64 119.13 3kob n GLU 22 Ca 0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.86 3kob n GLU 22 Cb 0.05 -1.03 0.02 0.00 -0.57 0.00 0.00 31.44 29.90 3kob n GLU 22 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kob n ASN 23 N 0.00 -1.25 0.00 1.62 5.03 -1.26 -4.89 115.26 114.50 3kob n ASN 23 Ca 0.00 -1.80 0.00 0.00 0.87 0.00 0.00 54.58 53.65 3kob n ASN 23 Cb 0.00 1.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.80 3kob n ASN 23 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3kob n GLU 24 N -0.39 0.00 0.00 3.52 2.13 -1.21 -5.14 120.64 119.55 3kob n GLU 24 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 3kob n GLU 24 Cb 0.68 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.39 3kob n GLU 24 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3kob n LYS 25 N 0.00 0.00 0.00 5.31 -0.00 -1.26 -3.45 118.16 118.75 3kob n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kob n LYS 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3kob n LYS 25 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kob n GLU 26 N 0.00 0.00 -4.28 -1.58 2.13 -1.26 -4.87 120.64 110.78 3kob n GLU 26 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3kob n GLU 26 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3kob n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kob s LEU 27 N 0.00 2.83 -0.09 4.31 1.43 -1.26 -2.89 118.68 123.00 3kob s LEU 27 Ca 0.00 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3kob s LEU 27 Cb 0.00 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3kob s LEU 27 CO 0.00 0.17 -0.19 -1.83 0.23 0.00 0.00 176.35 174.73 3kob s GLU 28 N -2.28 2.47 -0.04 1.70 -1.05 -0.47 -4.92 118.70 114.11 3kob s GLU 28 Ca 0.20 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 54.05 3kob s GLU 28 Cb -0.10 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 3kob s GLU 28 CO 0.12 0.08 1.38 0.42 0.95 0.00 0.00 175.26 178.21 3kob s ILE 29 N 0.58 3.87 -0.17 1.83 1.01 -1.26 -1.64 121.20 125.42 3kob s ILE 29 Ca -0.15 1.19 0.15 0.00 0.00 0.00 0.00 60.65 61.84 3kob s ILE 29 Cb -0.17 -3.77 -0.21 0.00 0.01 0.00 0.00 42.46 38.33 3kob s ILE 29 CO 0.05 -0.03 0.05 2.30 0.00 0.00 0.00 174.94 177.31 3kob n ILE 30 N 4.89 1.16 -3.73 2.92 -5.35 -0.68 -4.95 119.36 113.61 3kob n ILE 30 Ca 0.13 -0.71 -0.13 0.00 -0.27 0.00 0.00 62.75 61.77 3kob n ILE 30 Cb 0.44 -0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 37.68 3kob n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kob s SER 31 N -5.10 -0.41 0.06 7.28 0.15 -1.08 -5.05 113.70 109.55 3kob s SER 31 Ca -0.09 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.35 3kob s SER 31 Cb 0.05 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.12 3kob s SER 31 CO 0.69 -0.17 -0.06 -0.70 1.20 0.00 0.00 173.24 174.20 3kob s GLU 32 N 0.09 0.63 0.18 5.44 2.12 -1.26 -0.02 118.70 125.88 3kob s GLU 32 Ca -0.01 -1.03 -0.05 0.00 0.36 0.00 0.00 54.97 54.24 3kob s GLU 32 Cb -0.03 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 3kob s GLU 32 CO 0.01 -0.02 0.20 0.96 -0.54 0.00 0.00 175.26 175.88 3kob s ILE 33 N -2.66 0.04 0.00 -3.70 -4.36 -0.26 -4.93 121.20 105.33 3kob s ILE 33 Ca 0.00 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 3kob s ILE 33 Cb -0.01 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.50 3kob s ILE 33 CO -0.04 -0.18 0.00 0.29 0.24 0.00 0.00 174.94 175.26 3kob n LYS 34 N -0.23 3.08 -1.68 0.37 4.76 -1.26 -2.39 118.16 120.80 3kob n LYS 34 Ca -0.02 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.03 3kob n LYS 34 Cb 0.64 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.87 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 1.85 0.00 4.39 3.02 -1.11 -2.59 115.26 120.83 3kob n ASN 35 Ca 0.00 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 3kob n ASN 35 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 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 0.99 -0.27 2.97 7.41 0.00 0.09 -2.03 105.19 114.35 3kob n GLY 36 Ca 0.11 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 2.15 -0.26 0.99 1.43 -0.55 -1.58 118.68 120.86 3kob s LEU 37 Ca 0.00 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3kob s LEU 37 Cb 0.00 -0.05 0.07 0.00 0.03 0.00 0.00 46.19 46.24 3kob s LEU 37 CO 0.00 -0.15 -0.05 -0.51 0.23 0.00 0.00 176.35 175.87 3kob s ILE 38 N -0.89 1.80 -0.31 -0.59 2.07 -1.02 -0.56 121.20 121.70 3kob s ILE 38 Ca -0.08 -1.51 -0.10 0.00 -1.41 0.00 0.00 60.65 57.55 3kob s ILE 38 Cb -0.06 -2.06 -0.01 0.00 0.13 0.00 0.00 42.46 40.45 3kob s ILE 38 CO -0.00 -0.17 0.16 0.00 -1.91 0.00 0.00 174.94 173.01 3kob s PHE 40 N 1.62 3.29 -0.17 0.00 0.08 -0.60 -2.41 117.98 119.80 3kob s PHE 40 Ca 0.05 0.89 0.01 0.00 0.12 0.00 0.00 56.93 58.00 3kob s PHE 40 Cb -0.17 -2.88 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 3kob s PHE 40 CO 0.06 -0.33 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.50 3kob s LEU 41 N 2.55 2.27 -0.11 -0.37 0.20 0.32 -1.60 118.68 121.94 3kob s LEU 41 Ca 0.28 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.54 3kob s LEU 41 Cb -0.15 -1.51 0.02 0.00 -0.43 0.00 0.00 46.19 44.11 3kob s LEU 41 CO 0.08 0.04 -0.13 -0.83 -0.29 0.00 0.00 176.35 175.23 3kob s GLY 42 N 1.06 0.95 -0.18 7.98 0.00 -0.79 0.25 107.32 116.60 3kob s GLY 42 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 3kob s GLY 42 CO -0.06 0.39 0.12 -0.42 0.00 0.00 0.00 173.10 173.13 3kob s ILE 43 N 1.17 5.31 0.21 0.90 1.01 -1.26 -1.78 121.20 126.75 3kob s ILE 43 Ca -0.04 0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 3kob s ILE 43 Cb -0.14 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 3kob s ILE 43 CO -0.03 0.49 0.82 -2.28 0.00 0.00 0.00 174.94 173.93 3kob s HIS 44 N 0.01 3.85 -2.00 3.97 5.65 -1.26 -1.38 115.29 124.13 3kob s HIS 44 Ca 0.09 1.66 0.01 0.00 0.25 0.00 0.00 55.06 57.07 3kob s HIS 44 Cb -0.11 -2.80 0.05 0.00 -1.18 0.00 0.00 32.58 28.53 3kob s HIS 44 CO -0.00 0.44 0.27 0.36 -0.65 0.00 0.00 174.74 175.15 3kob n LYS 45 N 1.29 0.18 -0.20 2.88 2.85 -1.22 0.03 118.16 123.96 3kob n LYS 45 Ca -0.03 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.27 3kob n LYS 45 Cb 0.49 -1.07 0.06 0.00 -0.65 0.00 0.00 35.03 33.85 3kob n LYS 45 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3kob n ASN 46 N -0.57 1.21 -4.72 -5.58 3.02 -1.26 -4.87 115.26 102.50 3kob n ASN 46 Ca 0.01 -2.32 -0.42 0.00 -0.03 0.00 0.00 54.58 51.81 3kob n ASN 46 Cb 0.00 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.64 6.95 0.01 6.41 1.01 0.10 -5.01 116.67 124.50 3kob s ASP 47 Ca 0.13 2.18 0.04 0.00 0.71 0.00 0.00 52.55 55.61 3kob s ASP 47 Cb 0.11 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3kob s ASP 47 CO 0.01 -0.56 -0.10 0.42 0.21 0.00 0.00 175.17 175.16 3kob s THR 48 N 1.04 3.42 0.66 -1.27 -4.23 -1.26 -5.00 115.64 109.00 3kob s THR 48 Ca 0.61 -0.88 0.11 0.00 -1.18 0.00 0.00 61.69 60.35 3kob s THR 48 Cb -0.33 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.15 3kob s THR 48 CO 0.30 0.38 1.29 -0.25 -0.54 0.00 0.00 174.62 175.80 3kob h TRP 49 N 4.53 0.00 0.05 3.99 2.91 -1.99 0.92 115.95 126.36 3kob h TRP 49 Ca -0.48 0.00 0.03 0.00 1.13 0.00 0.00 58.89 59.57 3kob h TRP 49 Cb 1.16 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 3kob h TRP 49 CO 0.56 0.00 -0.31 0.93 -1.03 0.00 0.00 178.44 178.59 3kob h GLU 50 N 0.00 -0.47 0.00 2.65 4.39 -2.00 -1.29 114.58 117.86 3kob h GLU 50 Ca 0.04 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kob h GLU 50 Cb 1.69 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 3kob h GLU 50 CO -0.00 -0.31 0.00 -0.25 -1.16 0.00 0.00 179.01 177.29 3kob n ASP 51 N -5.41 0.00 -0.43 1.42 8.00 0.32 -1.62 116.55 118.83 3kob n ASP 51 Ca -0.06 0.96 0.37 0.00 0.71 0.00 0.00 54.79 56.77 3kob n ASP 51 Cb 0.32 -0.46 0.64 0.00 -0.02 0.00 0.00 41.12 41.61 3kob n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kob h ALA 52 N -1.30 2.66 -0.01 2.24 0.00 -1.54 0.13 119.26 121.45 3kob h ALA 52 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kob h ALA 52 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kob h ALA 52 CO 0.00 -1.33 -0.04 -0.07 0.00 0.00 0.00 179.25 177.81 3kob h LEU 53 N 0.06 0.05 -0.41 0.00 4.07 -0.62 -2.16 115.31 116.30 3kob h LEU 53 Ca 0.84 -0.66 0.06 0.00 0.08 0.00 0.00 57.88 58.20 3kob h LEU 53 Cb 2.57 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 44.21 3kob h LEU 53 CO -0.48 0.70 -0.51 0.22 -1.08 0.00 0.00 178.44 177.28 3kob h TYR 54 N -0.60 -1.54 0.15 1.13 3.20 0.24 -1.33 116.97 118.22 3kob h TYR 54 Ca -0.00 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3kob h TYR 54 Cb 0.70 0.73 -0.04 0.00 1.54 0.00 0.00 36.73 39.65 3kob h TYR 54 CO 0.15 -0.48 -0.52 0.82 -1.64 0.00 0.00 178.16 176.50 3kob h ILE 55 N -0.38 0.00 -0.70 1.81 1.08 -1.56 -1.57 117.51 116.19 3kob h ILE 55 Ca 0.10 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.71 3kob h ILE 55 Cb 0.60 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.21 3kob h ILE 55 CO -0.59 0.00 -0.19 0.40 -0.69 0.00 0.00 178.15 177.08 3kob h ILE 56 N -0.76 0.28 0.85 -0.67 2.04 -0.77 0.15 117.51 118.63 3kob h ILE 56 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3kob h ILE 56 Cb 0.76 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3kob h ILE 56 CO -0.26 0.00 -0.41 0.03 0.00 0.00 0.00 178.15 177.51 3kob h ARG 57 N -0.01 -1.10 -0.28 2.37 3.08 -1.06 -2.14 114.38 115.24 3kob h ARG 57 Ca 0.33 0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.49 3kob h ARG 57 Cb 0.52 0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3kob h ARG 57 CO -0.73 -0.73 -0.27 1.57 -1.07 0.00 0.00 179.97 178.74 3kob h LYS 58 N -1.23 -0.13 -0.95 0.04 -0.00 -0.46 0.71 116.57 114.55 3kob h LYS 58 Ca -0.12 0.01 0.16 0.00 -0.00 0.00 0.00 60.65 60.70 3kob h LYS 58 Cb 0.89 0.03 -0.16 0.00 -0.00 0.00 0.00 32.23 32.98 3kob h LYS 58 CO 0.19 -0.09 -0.34 0.00 -0.00 0.00 0.00 179.45 179.22 3kob h LEU 60 N -0.02 0.77 0.00 0.00 3.38 -0.34 -3.34 115.31 115.77 3kob h LEU 60 Ca 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kob h LEU 60 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kob h LEU 60 CO -0.96 0.92 -1.21 0.59 0.09 0.00 0.00 178.44 177.87 3kob n ASN 61 N -4.16 1.13 -4.66 -0.43 4.13 0.23 -3.64 115.26 107.87 3kob n ASN 61 Ca 0.01 -0.41 -0.42 0.00 1.68 0.00 0.00 54.58 55.44 3kob n ASN 61 Cb 0.37 1.36 -0.03 0.00 -1.54 0.00 0.00 39.78 39.94 3kob n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kob s LEU 62 N -3.39 4.34 -0.85 3.41 1.43 0.34 -4.65 118.68 119.31 3kob s LEU 62 Ca -0.00 2.55 -0.25 0.00 -1.03 0.00 0.00 54.13 55.41 3kob s LEU 62 Cb 0.10 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.84 3kob s LEU 62 CO 0.62 -1.11 1.31 -0.13 0.23 0.00 0.00 176.35 177.26 3kob s ARG 63 N 4.57 3.35 -0.03 1.70 0.52 -1.26 -4.26 118.95 123.54 3kob s ARG 63 Ca 0.88 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 3kob s ARG 63 Cb -0.41 -4.65 -0.03 0.00 0.52 0.00 0.00 34.95 30.38 3kob s ARG 63 CO 0.40 -2.12 0.01 1.28 0.02 0.00 0.00 175.30 174.88 3kob n LEU 64 N 8.90 0.24 -4.82 2.53 4.77 0.04 -4.04 117.00 124.63 3kob n LEU 64 Ca 0.14 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 3kob n LEU 64 Cb 0.49 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3kob n LEU 64 CO 0.67 0.10 0.70 0.26 -1.33 0.00 0.00 177.39 177.80 3kob s TRP 65 N -2.06 3.23 -0.58 -1.77 0.51 -0.50 -4.60 118.94 113.17 3kob s TRP 65 Ca -0.02 1.50 -0.21 0.00 -2.12 0.00 0.00 56.10 55.26 3kob s TRP 65 Cb 0.01 -2.90 0.07 0.00 -0.81 0.00 0.00 33.47 29.84 3kob s TRP 65 CO 0.10 -0.69 0.79 -0.80 -0.51 0.00 0.00 176.95 175.84 3kob s ASN 66 N -2.83 6.21 0.23 2.95 -0.87 -1.26 -1.40 114.94 117.97 3kob s ASN 66 Ca 0.62 -1.01 -0.30 0.00 -1.57 0.00 0.00 52.86 50.60 3kob s ASN 66 Cb -0.13 -2.35 -0.09 0.00 -0.02 0.00 0.00 41.25 38.67 3kob s ASN 66 CO 0.32 -1.16 1.11 0.21 -2.57 0.00 0.00 177.10 175.01 3kob s ASN 67 N 3.26 7.26 0.10 -1.22 2.47 -1.23 -4.95 114.94 120.63 3kob s ASN 67 Ca 0.18 2.18 -0.36 0.00 0.42 0.00 0.00 52.86 55.29 3kob s ASN 67 Cb -0.19 -2.62 -0.17 0.00 -1.45 0.00 0.00 41.25 36.82 3kob s ASN 67 CO 0.11 -0.19 1.12 -0.90 -3.72 0.00 0.00 177.10 173.52 3kob n ASP 68 N 1.81 0.75 0.00 -4.21 5.75 -1.26 -2.39 116.55 117.00 3kob n ASP 68 Ca 0.01 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 3kob n ASP 68 Cb 0.45 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 3kob n ASP 68 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3kob n ASN 69 N 1.99 0.00 -4.86 -1.12 6.94 -1.26 -4.97 115.26 111.98 3kob n ASN 69 Ca 0.18 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.39 3kob n ASN 69 Cb 0.18 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.55 3kob n ASN 69 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3kob s LYS 70 N 0.00 3.80 0.57 -3.83 0.00 -1.00 -5.10 119.74 114.17 3kob s LYS 70 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 55.97 56.25 3kob s LYS 70 Cb 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 37.83 34.94 3kob s LYS 70 CO 0.00 0.52 0.78 0.95 0.00 0.00 0.00 175.35 177.60 3kob s THR 71 N -1.46 2.52 -0.59 3.79 -4.23 -1.26 -3.52 115.64 110.89 3kob s THR 71 Ca 0.36 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3kob s THR 71 Cb -0.14 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3kob s THR 71 CO 0.19 0.00 0.23 0.79 -0.54 0.00 0.00 174.62 175.29 3kob n TRP 72 N -2.33 -0.61 -0.06 3.99 7.02 -1.25 -4.82 117.44 119.38 3kob n TRP 72 Ca 0.11 0.08 -0.10 0.00 -1.02 0.00 0.00 57.50 56.57 3kob n TRP 72 Cb 0.60 -1.25 -0.03 0.00 -2.42 0.00 0.00 31.31 28.21 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 -0.62 1.64 -4.83 -0.99 2.03 -0.50 -4.70 116.55 108.58 3kob n ASP 73 Ca -0.07 0.27 -0.29 0.00 0.52 0.00 0.00 54.79 55.21 3kob n ASP 73 Cb 0.27 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.58 3.07 0.46 -0.67 -0.14 -0.93 -4.74 119.74 114.22 3kob s LYS 74 Ca -0.23 -0.66 0.08 0.00 -1.36 0.00 0.00 55.97 53.80 3kob s LYS 74 Cb 0.05 -2.81 0.01 0.00 -1.68 0.00 0.00 37.83 33.40 3kob s LYS 74 CO 0.32 0.55 0.48 0.54 -0.76 0.00 0.00 175.35 176.48 3kob s ASN 75 N -2.66 5.11 0.28 2.83 2.20 -1.26 -0.78 114.94 120.66 3kob s ASN 75 Ca 0.31 -0.77 -0.00 0.00 -0.94 0.00 0.00 52.86 51.46 3kob s ASN 75 Cb -0.12 -0.32 0.65 0.00 -2.00 0.00 0.00 41.25 39.46 3kob s ASN 75 CO 0.24 -0.84 1.63 0.58 -2.94 0.00 0.00 177.10 175.78 3kob h VAL 76 N 0.79 0.26 0.12 3.54 2.07 -1.76 -2.27 116.25 119.01 3kob h VAL 76 Ca -0.39 -0.05 -0.28 0.00 0.82 0.00 0.00 66.70 66.81 3kob h VAL 76 Cb 1.28 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3kob h VAL 76 CO 0.53 0.03 -1.29 0.11 0.02 0.00 0.00 177.57 176.96 3kob h LYS 77 N 0.14 0.25 -0.39 1.57 6.56 -1.82 0.14 116.57 123.02 3kob h LYS 77 Ca 0.52 -0.43 0.08 0.00 -1.06 0.00 0.00 60.65 59.77 3kob h LYS 77 Cb 1.03 0.16 -0.08 0.00 -0.57 0.00 0.00 32.23 32.78 3kob h LYS 77 CO -0.71 1.18 -0.14 -0.44 -2.06 0.00 0.00 179.45 177.28 3kob h ASP 78 N 0.07 -0.48 0.45 0.86 3.32 -1.75 -1.52 116.42 117.36 3kob h ASP 78 Ca -0.15 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kob h ASP 78 Cb 1.97 0.29 0.00 0.00 0.22 0.00 0.00 39.33 41.81 3kob h ASP 78 CO 0.19 -0.17 -0.25 0.18 -1.72 0.00 0.00 179.24 177.47 3kob n LEU 79 N -5.33 0.56 -1.90 1.55 4.77 -1.11 -4.93 117.00 110.61 3kob n LEU 79 Ca 0.02 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 3kob n LEU 79 Cb 0.24 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3kob n LEU 79 CO 0.14 0.12 0.07 -3.20 -1.33 0.00 0.00 177.39 173.19 3kob n ASN 80 N -1.11 -4.09 -4.95 -1.43 5.15 -0.45 -5.03 115.26 103.35 3kob n ASN 80 Ca 0.10 -0.22 -0.23 0.00 -0.60 0.00 0.00 54.58 53.63 3kob n ASN 80 Cb 0.32 -2.79 -0.01 0.00 -0.53 0.00 0.00 39.78 36.77 3kob n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3kob s TYR 81 N -3.04 3.41 0.67 1.20 2.02 0.36 -5.00 117.35 116.98 3kob s TYR 81 Ca 0.24 0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 3kob s TYR 81 Cb -0.11 -1.94 0.08 0.00 -0.40 0.00 0.00 41.96 39.59 3kob s TYR 81 CO 0.30 0.06 0.95 -1.21 -1.57 0.00 0.00 175.55 174.07 3kob s GLU 82 N -4.31 2.06 0.02 -0.62 2.02 -0.86 -4.63 118.70 112.36 3kob s GLU 82 Ca 0.41 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.71 3kob s GLU 82 Cb -0.10 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 3kob s GLU 82 CO 0.35 -1.20 -0.03 -0.51 0.02 0.00 0.00 175.26 173.89 3kob s LEU 83 N -5.09 2.15 -0.10 1.80 1.02 -1.16 -1.48 118.68 115.82 3kob s LEU 83 Ca 0.62 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 54.44 3kob s LEU 83 Cb -0.09 0.00 0.03 0.00 0.02 0.00 0.00 46.19 46.15 3kob s LEU 83 CO 0.43 -0.17 -0.05 -0.22 0.02 0.00 0.00 176.35 176.36 3kob s LEU 84 N -0.93 1.00 -0.14 1.79 2.96 0.28 -0.98 118.68 122.65 3kob s LEU 84 Ca -0.09 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3kob s LEU 84 Cb -0.06 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3kob s LEU 84 CO -0.00 -0.14 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.04 3kob s ILE 85 N 1.77 2.12 -0.02 6.68 -1.09 -0.78 -1.66 121.20 128.23 3kob s ILE 85 Ca 0.05 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3kob s ILE 85 Cb -0.12 -1.85 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 3kob s ILE 85 CO -0.07 0.55 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.46 3kob s VAL 86 N 0.79 0.39 0.12 2.92 1.01 -1.01 -4.25 120.40 120.37 3kob s VAL 86 Ca -0.08 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3kob s VAL 86 Cb -0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 3kob s VAL 86 CO -0.01 0.15 1.23 -0.55 0.00 0.00 0.00 175.10 175.91 3kob s SER 87 N 0.37 7.04 -0.33 3.32 0.15 -1.25 0.12 113.70 123.12 3kob s SER 87 Ca -0.04 2.15 -0.01 0.00 0.70 0.00 0.00 55.95 58.74 3kob s SER 87 Cb -0.08 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 3kob s SER 87 CO -0.00 -0.46 0.16 -1.10 1.20 0.00 0.00 173.24 173.04 3kob s GLN 88 N 0.56 0.54 0.24 5.44 -1.52 0.69 -4.78 119.66 120.82 3kob s GLN 88 Ca 0.57 -1.05 -0.00 0.00 -1.95 0.00 0.00 55.36 52.93 3kob s GLN 88 Cb -0.32 -1.53 0.28 0.00 -0.22 0.00 0.00 33.01 31.23 3kob s GLN 88 CO 0.32 -1.08 1.64 0.27 -0.25 0.00 0.00 175.29 176.19 3kob h PHE 89 N 7.74 0.64 0.00 0.91 -5.15 -1.95 -3.15 116.94 115.98 3kob h PHE 89 Ca -0.09 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 3kob h PHE 89 Cb 0.99 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.01 3kob h PHE 89 CO 0.37 0.82 0.42 1.79 -2.00 0.00 0.00 178.31 179.71 3kob h THR 90 N 0.47 0.00 0.00 0.88 1.35 -1.96 0.20 112.91 113.85 3kob h THR 90 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3kob h THR 90 Cb 0.80 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kob h THR 90 CO 0.07 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 3kob n LEU 91 N -2.76 0.53 -1.12 3.87 4.77 -1.20 -0.19 117.00 120.89 3kob n LEU 91 Ca -0.02 0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 56.68 3kob n LEU 91 Cb 0.46 -0.80 0.21 0.00 -2.33 0.00 0.00 43.42 40.96 3kob n LEU 91 CO 0.11 -0.90 0.71 0.49 -1.33 0.00 0.00 177.39 176.47 3kob n PHE 92 N -2.20 1.09 -1.90 -1.77 3.72 0.70 -4.95 117.46 112.14 3kob n PHE 92 Ca -0.01 -1.48 -0.42 0.00 -0.05 0.00 0.00 57.45 55.49 3kob n PHE 92 Cb 0.04 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 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 -2.42 1.50 -0.17 1.37 0.00 0.73 -4.21 107.32 104.12 3kob s GLY 93 Ca 0.44 1.40 -0.16 0.00 0.00 0.00 0.00 44.72 46.41 3kob s GLY 93 CO 0.01 2.69 0.39 0.21 0.00 0.00 0.00 173.10 176.40 3kob s ASN 94 N 1.22 6.50 -0.13 1.64 2.47 -0.80 -4.88 114.94 120.96 3kob s ASN 94 Ca 0.71 0.59 0.06 0.00 0.42 0.00 0.00 52.86 54.64 3kob s ASN 94 Cb -0.45 -2.23 -0.12 0.00 -1.45 0.00 0.00 41.25 37.00 3kob s ASN 94 CO 0.31 -0.01 -0.04 0.35 -3.72 0.00 0.00 177.10 173.99 3kob n THR 95 N 3.96 0.81 -0.58 -5.21 -2.24 -1.26 -2.12 114.28 107.63 3kob n THR 95 Ca -0.09 -0.40 0.46 0.00 -2.27 0.00 0.00 64.05 61.75 3kob n THR 95 Cb 0.51 -0.85 0.76 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.02 0.00 -0.78 6.56 -1.95 -3.23 116.57 117.19 3kob h LYS 96 Ca -0.32 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 3kob h LYS 96 Cb 1.61 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.26 3kob h LYS 96 CO -0.02 0.01 0.00 1.63 -2.06 0.00 0.00 179.45 179.02 3kob n LYS 97 N -4.24 0.00 0.00 3.15 5.02 -1.26 -5.04 118.16 115.78 3kob n LYS 97 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3kob n LYS 97 Cb 1.76 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 36.53 3kob n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kob n GLY 98 N 1.17 5.04 1.71 0.72 0.00 -1.22 -5.01 105.19 107.59 3kob n GLY 98 Ca 0.00 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 4.89 -3.87 1.61 3.02 -1.26 -4.76 115.26 114.90 3kob n ASN 99 Ca 0.00 -2.84 -0.24 0.00 -0.03 0.00 0.00 54.58 51.47 3kob n ASN 99 Cb 0.00 -0.67 -0.17 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.52 1.11 0.48 3.52 2.20 -1.26 -5.15 119.74 118.12 3kob s LYS 100 Ca 0.46 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 3kob s LYS 100 Cb 0.36 -1.24 -0.06 0.00 -1.51 0.00 0.00 37.83 35.37 3kob s LYS 100 CO 0.13 -0.23 0.87 -1.25 -0.36 0.00 0.00 175.35 174.51 3kob s PRO 101 N 1.59 3.76 -0.03 4.03 0.04 -1.26 -4.89 135.00 138.24 3kob s PRO 101 Ca 0.01 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.67 3kob s PRO 101 Cb -0.13 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.14 3kob s PRO 101 CO -0.05 -0.20 -0.08 0.16 0.04 0.00 0.00 177.00 176.87 3kob s ASP 102 N -3.42 1.18 -0.18 6.66 1.47 -0.90 -4.85 116.67 116.64 3kob s ASP 102 Ca 0.53 -0.18 0.16 0.00 1.18 0.00 0.00 52.55 54.24 3kob s ASP 102 Cb -0.10 -0.36 0.61 0.00 -0.34 0.00 0.00 42.92 42.72 3kob s ASP 102 CO 0.37 0.05 1.51 0.49 0.68 0.00 0.00 175.17 178.26 3kob n PHE 103 N 3.41 1.25 -0.40 2.11 3.72 -1.26 -1.91 117.46 124.38 3kob n PHE 103 Ca -0.19 -0.79 0.31 0.00 -0.05 0.00 0.00 57.45 56.72 3kob n PHE 103 Cb 0.54 -0.34 0.48 0.00 -0.94 0.00 0.00 39.48 39.21 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 -0.02 0.07 -1.41 1.38 8.25 -1.26 -0.25 115.22 121.98 3kob n HIS 104 Ca 0.23 0.07 0.08 0.00 -0.26 0.00 0.00 57.72 57.83 3kob n HIS 104 Cb 0.94 -0.38 0.17 0.00 1.12 0.00 0.00 29.99 31.84 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 -3.26 2.47 -4.85 2.41 4.32 -1.26 -4.95 117.00 111.88 3kob n LEU 105 Ca 0.26 -3.47 -0.37 0.00 -0.02 0.00 0.00 56.01 52.42 3kob n LEU 105 Cb 1.16 -0.47 -0.06 0.00 -1.62 0.00 0.00 43.42 42.43 3kob n LEU 105 CO 0.24 1.07 -0.16 0.00 -1.22 0.00 0.00 177.39 177.32 3kob s ALA 106 N -2.96 3.84 0.16 -1.18 0.00 0.65 -3.39 121.76 118.88 3kob s ALA 106 Ca 0.35 -0.64 -0.34 0.00 0.00 0.00 0.00 51.96 51.33 3kob s ALA 106 Cb 0.33 -2.02 -0.15 0.00 0.00 0.00 0.00 23.12 21.28 3kob s ALA 106 CO -0.03 0.53 1.37 1.17 0.00 0.00 0.00 175.76 178.80 3kob n LYS 107 N 2.27 1.59 -1.78 0.00 4.81 -0.48 -4.45 118.16 120.12 3kob n LYS 107 Ca -0.19 0.57 -0.39 0.00 -0.87 0.00 0.00 58.31 57.43 3kob n LYS 107 Cb 0.54 -2.21 0.04 0.00 0.02 0.00 0.00 35.03 33.42 3kob n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3kob s GLU 108 N 0.20 3.21 0.16 1.64 -6.30 -1.26 -4.51 118.70 111.84 3kob s GLU 108 Ca 0.77 2.27 -0.16 0.00 -2.50 0.00 0.00 54.97 55.35 3kob s GLU 108 Cb -0.80 -2.31 0.13 0.00 0.00 0.00 0.00 34.13 31.16 3kob s GLU 108 CO 0.46 -1.14 1.18 -2.30 0.02 0.00 0.00 175.26 173.48 3kob n PRO 109 N -0.91 -0.21 0.19 4.30 -0.02 -1.26 0.20 135.00 137.28 3kob n PRO 109 Ca 0.10 1.17 0.03 0.00 -2.02 0.00 0.00 63.50 62.78 3kob n PRO 109 Cb 0.44 -1.74 0.37 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.03 2.55 4.21 -2.02 -2.88 115.58 117.47 3kob h ASN 110 Ca 0.24 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 57.36 3kob h ASN 110 Cb 0.43 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.57 3kob h ASN 110 CO -0.75 0.37 -2.32 -0.62 -1.29 0.00 0.00 177.43 172.82 3kob n GLU 111 N -4.01 0.66 -0.32 0.81 1.02 -0.88 -4.29 120.64 113.63 3kob n GLU 111 Ca -0.02 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 3kob n GLU 111 Cb 0.41 -1.57 0.30 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.15 1.51 -0.48 0.62 0.00 -0.31 -2.62 119.26 117.83 3kob h ALA 112 Ca -0.55 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3kob h ALA 112 Cb 1.86 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 3kob h ALA 112 CO -0.10 -0.18 0.11 1.25 0.00 0.00 0.00 179.25 180.33 3kob h LEU 113 N 0.59 0.03 -0.54 0.00 5.85 -1.69 -1.36 115.31 118.19 3kob h LEU 113 Ca 0.55 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.41 3kob h LEU 113 Cb 0.92 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3kob h LEU 113 CO -0.43 0.05 0.25 0.40 -0.34 0.00 0.00 178.44 178.36 3kob h ILE 114 N 0.25 0.89 -0.82 4.05 2.04 -1.67 -2.41 117.51 119.85 3kob h ILE 114 Ca 0.24 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3kob h ILE 114 Cb 0.30 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3kob h ILE 114 CO -0.30 0.09 0.40 0.15 0.00 0.00 0.00 178.15 178.49 3kob h PHE 115 N 0.47 1.16 -0.50 1.37 -0.00 -1.27 -1.84 116.94 116.34 3kob h PHE 115 Ca 0.25 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.97 58.16 3kob h PHE 115 Cb 0.22 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 3kob h PHE 115 CO -0.13 0.84 0.26 -0.92 -0.00 0.00 0.00 178.31 178.36 3kob h TYR 116 N 1.15 0.70 -0.42 0.41 5.03 -0.91 0.11 116.97 123.05 3kob h TYR 116 Ca 0.28 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.46 3kob h TYR 116 Cb 0.10 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 3kob h TYR 116 CO 0.01 0.54 -0.17 -0.91 -1.32 0.00 0.00 178.16 176.31 3kob h ASN 117 N 0.66 0.80 0.50 -2.11 2.35 -1.21 0.97 115.58 117.54 3kob h ASN 117 Ca 0.17 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3kob h ASN 117 Cb 0.08 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3kob h ASN 117 CO -0.03 0.96 -0.34 0.11 -1.65 0.00 0.00 177.43 176.49 3kob h LYS 118 N 0.71 -0.79 -0.31 0.81 1.57 -0.99 0.64 116.57 118.21 3kob h LYS 118 Ca 0.11 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3kob h LYS 118 Cb 0.67 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 3kob h LYS 118 CO 0.05 -0.52 -0.14 0.82 -0.57 0.00 0.00 179.45 179.09 3kob h ILE 119 N -0.82 0.56 -0.38 1.86 2.04 -0.22 0.41 117.51 120.97 3kob h ILE 119 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3kob h ILE 119 Cb 0.68 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3kob h ILE 119 CO 0.04 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.54 3kob h ILE 120 N -0.09 0.67 0.00 -0.67 1.08 0.15 0.31 117.51 118.96 3kob h ILE 120 Ca 0.16 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 64.56 3kob h ILE 120 Cb 0.33 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3kob h ILE 120 CO -0.37 0.01 -0.25 0.44 -0.69 0.00 0.00 178.15 177.29 3kob h ASP 121 N 0.05 0.00 1.47 1.72 5.19 0.20 -1.06 116.42 123.99 3kob h ASP 121 Ca 0.18 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 3kob h ASP 121 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3kob h ASP 121 CO -0.35 0.25 -0.54 -0.08 -3.12 0.00 0.00 179.24 175.40 3kob h GLU 122 N 0.00 0.00 0.30 3.56 4.57 0.11 -1.98 114.58 121.14 3kob h GLU 122 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3kob h GLU 122 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3kob h GLU 122 CO 0.03 0.16 -0.15 0.74 -1.18 0.00 0.00 179.01 178.61 3kob h PHE 123 N 0.00 -0.38 -0.62 0.92 0.04 0.79 -2.34 116.94 115.35 3kob h PHE 123 Ca -0.02 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.85 3kob h PHE 123 Cb 1.16 0.12 -0.11 0.00 2.20 0.00 0.00 35.95 39.33 3kob h PHE 123 CO 0.00 -0.23 -0.20 1.63 -0.60 0.00 0.00 178.31 178.91 3kob n LYS 124 N -3.58 -0.10 0.03 1.51 5.02 -0.72 -0.21 118.16 120.12 3kob n LYS 124 Ca -0.05 0.96 -0.00 0.00 -2.02 0.00 0.00 58.31 57.20 3kob n LYS 124 Cb 0.16 -1.43 0.29 0.00 -0.02 0.00 0.00 35.03 34.03 3kob n LYS 124 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3kob h LYS 125 N 0.00 0.44 0.20 1.97 1.57 -1.37 -1.04 116.57 118.34 3kob h LYS 125 Ca 0.26 -0.11 -0.35 0.00 -1.87 0.00 0.00 60.65 58.58 3kob h LYS 125 Cb 0.41 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.68 3kob h LYS 125 CO -0.63 0.54 -1.66 1.96 -0.57 0.00 0.00 179.45 179.10 3kob h GLN 126 N 0.41 0.43 0.00 3.15 4.20 -0.01 -3.44 115.11 119.85 3kob h GLN 126 Ca 0.08 -0.74 0.00 0.00 0.06 0.00 0.00 58.65 58.05 3kob h GLN 126 Cb 0.43 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3kob h GLN 126 CO 0.02 1.35 0.00 0.98 -0.67 0.00 0.00 178.83 180.51 3kob n TYR 127 N -3.62 0.00 -3.15 2.96 4.19 -0.22 -5.10 117.16 112.22 3kob n TYR 127 Ca -0.22 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.04 3kob n TYR 127 Cb 1.08 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.90 3kob n TYR 127 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3kob s ASN 128 N -1.00 -0.65 0.15 2.98 2.47 -0.43 -4.98 114.94 113.48 3kob s ASN 128 Ca 0.00 0.41 0.13 0.00 0.42 0.00 0.00 52.86 53.81 3kob s ASN 128 Cb 0.00 1.55 0.48 0.00 -1.45 0.00 0.00 41.25 41.82 3kob s ASN 128 CO 0.00 -0.12 0.45 -0.90 -3.72 0.00 0.00 177.10 172.81 3kob n ASP 129 N 5.46 0.03 0.08 -4.21 5.68 -0.97 0.25 116.55 122.87 3kob n ASP 129 Ca -0.06 0.34 -0.03 0.00 -0.50 0.00 0.00 54.79 54.54 3kob n ASP 129 Cb 0.53 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 3kob n ASP 129 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3kob h ASP 130 N 0.00 0.00 -0.99 -1.12 3.58 -1.96 -3.27 116.42 112.66 3kob h ASP 130 Ca 0.27 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.05 3kob h ASP 130 Cb 0.99 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.75 3kob h ASP 130 CO -0.06 0.76 0.81 0.29 -2.88 0.00 0.00 179.24 178.16 3kob n LYS 131 N -3.22 2.70 -3.57 0.28 4.76 0.14 -4.85 118.16 114.40 3kob n LYS 131 Ca -0.02 -3.31 -0.19 0.00 -2.87 0.00 0.00 58.31 51.93 3kob n LYS 131 Cb 0.86 -2.28 -0.14 0.00 -1.84 0.00 0.00 35.03 31.62 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 -4.76 -0.27 0.30 -0.18 -1.09 -1.23 -2.99 121.20 110.98 3kob s ILE 132 Ca 0.64 0.03 0.11 0.00 -2.23 0.00 0.00 60.65 59.20 3kob s ILE 132 Cb 0.50 -0.54 -0.05 0.00 -1.58 0.00 0.00 42.46 40.79 3kob s ILE 132 CO -0.00 -0.10 -0.12 -0.54 -1.23 0.00 0.00 174.94 172.95 3kob s LYS 133 N 2.29 1.86 0.19 2.79 -0.14 -0.16 -4.97 119.74 121.60 3kob s LYS 133 Ca 0.05 -1.75 -0.01 0.00 -1.36 0.00 0.00 55.97 52.89 3kob s LYS 133 Cb -0.15 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 3kob s LYS 133 CO -0.10 0.26 0.26 0.44 -0.76 0.00 0.00 175.35 175.46 3kob n ILE 134 N -0.75 0.00 -4.33 2.17 -5.35 -1.26 -1.86 119.36 107.98 3kob n ILE 134 Ca -0.05 -0.95 -0.20 0.00 -0.27 0.00 0.00 62.75 61.28 3kob n ILE 134 Cb 0.61 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 39.02 3kob n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kob n GLY 135 N -0.31 3.04 3.57 3.28 0.00 -1.26 -4.67 105.19 108.84 3kob n GLY 135 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 3kob n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kob s LYS 136 N -3.35 2.44 0.00 1.61 -0.14 -1.26 -4.85 119.74 114.19 3kob s LYS 136 Ca 0.33 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 3kob s LYS 136 Cb 0.02 -5.18 0.00 0.00 -1.68 0.00 0.00 37.83 30.98 3kob s LYS 136 CO 0.24 -3.91 0.00 0.34 -0.76 0.00 0.00 175.35 171.25 3kob n PHE 137 N 14.57 0.00 0.93 3.18 7.35 -1.26 -0.27 117.46 141.96 3kob n PHE 137 Ca 0.44 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 57.26 3kob n PHE 137 Cb 0.47 0.00 0.45 0.00 0.35 0.00 0.00 39.48 40.75 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 -0.43 -1.44 3.91 7.13 0.00 -1.26 -4.81 105.19 108.28 3kob n GLY 138 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.24 6.21 0.06 1.61 0.02 0.62 -5.04 114.94 115.18 3kob s ASN 139 Ca 0.12 0.89 -0.30 0.00 -1.02 0.00 0.00 52.86 52.55 3kob s ASN 139 Cb 0.17 -2.19 -0.09 0.00 0.02 0.00 0.00 41.25 39.17 3kob s ASN 139 CO 0.60 -0.61 1.81 -0.47 0.02 0.00 0.00 177.10 178.45 3kob s TYR 140 N -2.75 1.93 0.34 2.20 5.04 -1.26 -4.93 117.35 117.92 3kob s TYR 140 Ca 0.48 -0.05 0.09 0.00 -2.44 0.00 0.00 57.07 55.15 3kob s TYR 140 Cb -0.10 -4.12 -0.06 0.00 0.35 0.00 0.00 41.96 38.04 3kob s TYR 140 CO 0.45 -4.72 -0.01 -1.64 -1.34 0.00 0.00 175.55 168.28 3kob s MET 141 N 3.40 2.03 -0.07 4.97 -1.94 -1.26 -4.11 119.30 122.31 3kob s MET 141 Ca 0.81 -1.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 3kob s MET 141 Cb -0.42 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.54 3kob s MET 141 CO 0.36 0.15 -0.14 1.21 -0.01 0.00 0.00 175.02 176.59 3kob s ASN 142 N -3.69 1.99 -0.14 3.03 2.47 -0.90 -5.02 114.94 112.68 3kob s ASN 142 Ca 0.34 -0.34 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 3kob s ASN 142 Cb 0.00 -0.91 0.04 0.00 -1.45 0.00 0.00 41.25 38.92 3kob s ASN 142 CO 0.19 0.06 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.95 3kob s ILE 143 N 0.60 0.90 -0.46 -5.21 1.01 -1.26 -1.74 121.20 115.03 3kob s ILE 143 Ca -0.15 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 3kob s ILE 143 Cb -0.16 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.28 3kob s ILE 143 CO 0.05 0.19 0.84 -1.81 0.00 0.00 0.00 174.94 174.20 3kob s ASP 144 N 1.74 6.43 -0.14 3.58 1.01 -0.74 -4.86 116.67 123.68 3kob s ASP 144 Ca 0.03 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.23 3kob s ASP 144 Cb -0.14 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3kob s ASP 144 CO -0.07 -0.99 -0.14 -0.69 0.21 0.00 0.00 175.17 173.49 3kob s VAL 145 N 3.49 2.83 -1.13 -1.27 1.01 -1.26 0.13 120.40 124.20 3kob s VAL 145 Ca 0.32 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3kob s VAL 145 Cb -0.11 -2.19 0.20 0.00 0.00 0.00 0.00 36.38 34.27 3kob s VAL 145 CO 0.24 0.52 1.28 -0.89 0.00 0.00 0.00 175.10 176.25 3kob s THR 146 N 0.60 5.27 0.05 3.92 2.01 -0.83 -4.95 115.64 121.72 3kob s THR 146 Ca -0.08 -2.70 -0.35 0.00 0.31 0.00 0.00 61.69 58.87 3kob s THR 146 Cb -0.16 -4.80 -0.14 0.00 0.01 0.00 0.00 72.50 67.42 3kob s THR 146 CO 0.03 -1.47 1.66 0.59 -0.69 0.00 0.00 174.62 174.74 3kob n ASN 147 N 4.93 3.02 -4.12 3.53 3.02 -1.26 -2.14 115.26 122.24 3kob n ASN 147 Ca 0.31 1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 55.54 3kob n ASN 147 Cb 0.43 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.13 3kob n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kob s ASP 148 N 2.01 5.32 0.00 6.41 2.15 -0.43 -4.70 116.67 127.43 3kob s ASP 148 Ca 0.85 -2.46 0.00 0.00 0.43 0.00 0.00 52.55 51.37 3kob s ASP 148 Cb -0.73 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3kob s ASP 148 CO 0.45 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 3kob n GLY 149 N 4.04 2.24 0.00 2.66 0.00 -1.26 -3.40 105.19 109.47 3kob n GLY 149 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.57 -4.30 1.61 -0.04 -1.26 -5.17 135.00 127.41 3kob n PRO 150 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 3kob n PRO 150 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 3kob n PRO 150 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kob s VAL 151 N 0.69 0.62 -0.27 0.52 1.01 -1.22 -4.98 120.40 116.77 3kob s VAL 151 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3kob s VAL 151 Cb 0.00 -0.53 0.10 0.00 0.00 0.00 0.00 36.38 35.96 3kob s VAL 151 CO 0.00 0.18 0.17 -0.89 0.00 0.00 0.00 175.10 174.56 3kob s THR 152 N -0.11 -0.16 -0.05 3.92 2.01 -1.26 -2.09 115.64 117.90 3kob s THR 152 Ca 0.02 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 3kob s THR 152 Cb -0.04 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3kob s THR 152 CO -0.00 -0.60 0.15 -0.63 -0.69 0.00 0.00 174.62 172.85 3kob s ILE 153 N 2.17 5.35 -0.17 1.82 -1.09 -0.76 -4.96 121.20 123.57 3kob s ILE 153 Ca 0.08 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3kob s ILE 153 Cb -0.16 -3.43 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3kob s ILE 153 CO -0.32 0.43 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.25 3kob s TYR 154 N -1.20 2.09 -0.09 3.97 6.14 -1.26 -0.91 117.35 126.09 3kob s TYR 154 Ca 0.22 -1.27 0.03 0.00 0.64 0.00 0.00 57.07 56.69 3kob s TYR 154 Cb -0.12 -1.52 -0.01 0.00 0.42 0.00 0.00 41.96 40.73 3kob s TYR 154 CO 0.13 -0.67 -0.20 0.42 0.64 0.00 0.00 175.55 175.87 3kob s ILE 155 N 1.51 2.48 -0.47 3.14 1.01 -1.12 -5.04 121.20 122.72 3kob s ILE 155 Ca 0.02 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.83 3kob s ILE 155 Cb -0.14 -1.97 0.18 0.00 0.01 0.00 0.00 42.46 40.54 3kob s ILE 155 CO -0.09 0.56 0.40 -0.67 0.00 0.00 0.00 174.94 175.14 3kob n ASP 156 N 3.19 0.35 0.00 3.58 -0.08 -1.26 -1.42 116.55 120.91 3kob n ASP 156 Ca -0.18 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 3kob n ASP 156 Cb 0.52 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.38 3kob n ASP 156 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kob n THR 157 N 2.44 0.00 0.15 5.18 -2.24 -1.10 -1.49 114.28 117.22 3kob n THR 157 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3kob n THR 157 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.31 0.00 -0.00 4.78 8.25 -1.26 0.12 115.22 123.80 3kob n HIS 158 Ca 0.00 -0.05 -0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3kob n HIS 158 Cb 0.00 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 0.78 4.17 -0.03 0.41 8.00 -0.55 -5.11 116.55 124.22 3kob n ASP 159 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kob n ASP 159 Cb 0.06 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3kob n ASP 159 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11